| 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 | 41.1 | Very low | 66.5 | Low | 204 Ų | 204 | 77 Ų | 77 | 100% | 1.005 | 43% | 0.426 | S | S | * | . | 0 | -38.2 | 0 | -69.8 | -143.8 | -99.9 | 0 | 0 | 112.6 | |||||
| 2 | S | 49.4 | Very low | 67.8 | Low | 89 Ų | 89 | 72.2 Ų | 72.2 | 62% | 0.622 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 114.9 | V4 S5 Y6 | S2-V4 PolarHBondContact O-N 2.9Å; S2-S5 PolarHBondContact O-N 3.14Å; S2-Y6 WeakPolarHBondContact O-CD2 3.35Å; S2-Y6 PolarHBondContact O-N 2.84Å |
| 3 | S | 56.1 | Low | 68.9 | Low | 86 Ų | 86 | 77.6 Ų | 77.6 | 60% | 0.601 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.9 | -34.8 | -177.1 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | H7 | S3-H7 WeakPolarHBondContact O-CB 3.27Å; S3-H7 PolarHBondContact O-N 2.73Å; S3-H7 VanDerWaalsContact O-N 3.08Å |
| 4 | V | 61.1 | Low | 69.9 | Low | 57 Ų | 57 | 78.9 Ų | 78.9 | 35% | 0.345 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.2 | -39.2 | -178.9 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | S2 Y6 H7 I8 I39 | S2-V4 PolarHBondContact O-N 2.9Å; V4-Y6 VanDerWaalsContact C-N 3.34Å; V4-Y6 PolarHBondContact O-N 2.94Å; V4-H7 WeakPolarHBondContact O-CB 3.21Å; V4-H7 PolarHBondContact O-N 2.8Å; V4-I8 HydrophobicContact CG1-CD1 3.98Å; V4-I8 WeakPolarHBondContact O-CG1 3.35Å; V4-I8 PolarHBondContact O-N 3.49Å; V4-I39 HydrophobicContact CG1-CG2 4.48Å |
| 5 | S | 62.9 | Low | 70.7 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 176 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | S2 S9 | S2-S5 PolarHBondContact O-N 3.14Å; S5-S9 WeakPolarHBondContact O-CB 3.26Å; S5-S9 PolarHBondContact O-N 2.82Å; S5-S9 VanDerWaalsContact O-N 3.07Å; S5-S9 PolarHBondContact O-OG 3.06Å |
| 6 | Y | 68.4 | Low | 71.5 | Confident | 177 Ų | 177 | 74.3 Ų | 74.3 | 69% | 0.694 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.7 | -37.2 | 172.8 | -80.3 | -69.9 | 0 | 0 | 0 | 112.1 | S2 V4 S9 S10 | S2-Y6 WeakPolarHBondContact O-CD2 3.35Å; S2-Y6 PolarHBondContact O-N 2.84Å; V4-Y6 VanDerWaalsContact C-N 3.34Å; V4-Y6 PolarHBondContact O-N 2.94Å; Y6-S9 PolarHBondContact O-N 3.23Å; Y6-S10 WeakPolarHBondContact O-CB 3.46Å; Y6-S10 PolarHBondContact O-N 3.21Å |
| 7 | H | 74.6 | Confident | 72.3 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 176.2 | -167 | 57.9 | 0 | 0 | 0 | 111.6 | S3 V4 S9 S10 L11 | S3-H7 WeakPolarHBondContact O-CB 3.27Å; S3-H7 PolarHBondContact O-N 2.73Å; S3-H7 VanDerWaalsContact O-N 3.08Å; V4-H7 WeakPolarHBondContact O-CB 3.21Å; V4-H7 PolarHBondContact O-N 2.8Å; H7-S9 VanDerWaalsContact C-N 3.35Å; H7-S9 PolarHBondContact O-N 3.2Å; H7-S10 PolarHBondContact O-N 3.42Å; H7-L11 VanDerWaalsContact O-CG 3.32Å; H7-L11 WeakPolarHBondContact O-CG 3.46Å; H7-L11 PolarHBondContact O-N 3.15Å |
| 8 | I | 76.8 | Confident | 72.6 | Confident | 11 Ų | 11 | 76.1 Ų | 76.1 | 6% | 0.056 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.9 | -65.5 | 166.2 | 0 | 0 | 0 | 111.1 | V4 S10 L11 L12 L41 V49 | V4-I8 HydrophobicContact CG1-CD1 3.98Å; V4-I8 WeakPolarHBondContact O-CG1 3.35Å; V4-I8 PolarHBondContact O-N 3.49Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.21Å; I8-L11 PolarHBondContact O-N 2.95Å; I8-L12 HydrophobicContact CG2-CD1 4.16Å; I8-L12 HydrophobicContact CG2-CG 4.4Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 3.35Å; I8-L41 HydrophobicContact CD1-CD2 3.47Å; I8-L41 VanDerWaalsContact CD1-CD2 3.47Å; I8-V49 HydrophobicContact CG2-CG2 3.83Å |
| 9 | S | 78.1 | Confident | 73.3 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177 | -56.8 | 0 | 0 | 0 | 0 | 112 | S5 Y6 H7 L12 E13 | S5-S9 WeakPolarHBondContact O-CB 3.26Å; S5-S9 PolarHBondContact O-N 2.82Å; S5-S9 VanDerWaalsContact O-N 3.07Å; S5-S9 PolarHBondContact O-OG 3.06Å; Y6-S9 PolarHBondContact O-N 3.23Å; H7-S9 VanDerWaalsContact C-N 3.35Å; H7-S9 PolarHBondContact O-N 3.2Å; S9-L12 PolarHBondContact O-N 3.41Å; S9-E13 PolarHBondContact O-N 3.32Å; S9-E13 VanDerWaalsContact O-N 3.13Å |
| 10 | S | 80.9 | Confident | 73.7 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 32% | 0.315 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | Y6 H7 I8 E13 K14 | Y6-S10 WeakPolarHBondContact O-CB 3.46Å; Y6-S10 PolarHBondContact O-N 3.21Å; H7-S10 PolarHBondContact O-N 3.42Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.21Å; S10-E13 PolarHBondContact O-N 2.92Å; S10-K14 WeakPolarHBondContact O-CG 3.43Å; S10-K14 PolarHBondContact O-N 3.22Å; S10-K14 VanDerWaalsContact O-N 3.12Å |
| 11 | L | 82.1 | Confident | 74.3 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.6 | -68 | 174.6 | 0 | 0 | 0 | 111.2 | H7 I8 E13 K14 M15 A26 D29 L30 | H7-L11 VanDerWaalsContact O-CG 3.32Å; H7-L11 WeakPolarHBondContact O-CG 3.46Å; H7-L11 PolarHBondContact O-N 3.15Å; I8-L11 PolarHBondContact O-N 2.95Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 2.81Å; L11-K14 PolarHBondContact O-N 2.78Å; L11-M15 VanDerWaalsContact O-CG 3.26Å; L11-M15 WeakPolarHBondContact O-CG 3.5Å; L11-M15 PolarHBondContact O-N 3.27Å; L11-A26 HydrophobicContact CD2-CB 4.25Å; L11-D29 HydrophobicContact CD1-CB 4.49Å; L11-D29 HydrophobicContact CD2-CB 3.94Å; L11-L30 HydrophobicContact CD1-CB 4.33Å |
| 12 | L | 81.9 | Confident | 76.3 | Confident | 19 Ų | 19 | 72 Ų | 72 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 177.4 | -70.2 | 172.5 | 0 | 0 | 0 | 112.8 | I8 S9 M15 K48 V49 M52 | I8-L12 HydrophobicContact CG2-CD1 4.16Å; I8-L12 HydrophobicContact CG2-CG 4.4Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 3.35Å; S9-L12 PolarHBondContact O-N 3.41Å; L12-M15 HydrophobicContact CD2-SD 4.19Å; L12-K48 HydrophobicContact CD1-CB 3.93Å; L12-V49 HydrophobicContact CD1-CG2 4.32Å; L12-V49 HydrophobicContact CD2-CG2 4.15Å; L12-M52 HydrophobicContact CD2-CB 3.65Å; L12-M52 HydrophobicContact CD2-CG 3.81Å |
| 13 | E | 82.3 | Confident | 78 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.2 | -46 | 173.2 | -72.8 | 176.2 | -178.5 | 0 | 0 | 111.3 | S9 S10 L11 M15 T16 | S9-E13 PolarHBondContact O-N 3.32Å; S9-E13 VanDerWaalsContact O-N 3.13Å; S10-E13 PolarHBondContact O-N 2.92Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 2.81Å; E13-M15 VanDerWaalsContact C-N 3.26Å; E13-M15 PolarHBondContact O-N 3.24Å; E13-T16 PolarHBondContact O-N 3.1Å; E13-T16 PolarHBondContact O-OG1 2.66Å |
| 14 | K | 83.1 | Confident | 79.5 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -29.6 | 178 | -70.8 | 175.6 | -178.6 | -179 | 0 | 113.2 | S10 L11 T16 S17 A26 | S10-K14 WeakPolarHBondContact O-CG 3.43Å; S10-K14 PolarHBondContact O-N 3.22Å; S10-K14 VanDerWaalsContact O-N 3.12Å; L11-K14 PolarHBondContact O-N 2.78Å; K14-T16 PolarHBondContact O-N 3.02Å; K14-S17 VanDerWaalsContact O-CB 3.23Å; K14-S17 WeakPolarHBondContact O-CB 3.48Å; K14-S17 PolarHBondContact O-N 2.76Å; K14-A26 HydrophobicContact CB-CB 3.75Å |
| 15 | M | 81.3 | Confident | 80.6 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.015 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.8 | 173.3 | -75.8 | 174.9 | -174.8 | 0 | 0 | 113.6 | L11 L12 E13 R23 A26 L30 M52 L56 | L11-M15 VanDerWaalsContact O-CG 3.26Å; L11-M15 WeakPolarHBondContact O-CG 3.5Å; L11-M15 PolarHBondContact O-N 3.27Å; L12-M15 HydrophobicContact CD2-SD 4.19Å; E13-M15 VanDerWaalsContact C-N 3.26Å; E13-M15 PolarHBondContact O-N 3.24Å; M15-R23 WeakPolarHBondContact O-CD 3.17Å; M15-R23 WeakPolarHBondContact O-CG 3.16Å; M15-A26 HydrophobicContact CE-CB 4.39Å; M15-A26 VanDerWaalsContact CE-O 3.24Å; M15-A26 WeakPolarHBondContact CE-O 3.25Å; M15-A26 HydrophobicContact CG-CB 3.85Å; M15-L30 HydrophobicContact CE-CB 3.58Å; M15-L30 HydrophobicContact CE-CD2 3.41Å; M15-L30 VanDerWaalsContact CE-CD2 3.41Å; M15-L30 HydrophobicContact CE-CG 4.07Å; M15-L30 HydrophobicContact SD-CD2 4.33Å; M15-M52 HydrophobicContact CB-CG 4.03Å; M15-M52 HydrophobicContact CB-SD 4.33Å; M15-M52 HydrophobicContact SD-CG 3.9Å; M15-L56 HydrophobicContact CB-CD1 4.15Å; M15-L56 HydrophobicContact CG-CD1 4.01Å; M15-L56 HydrophobicContact SD-CD1 3.93Å |
| 16 | T | 83.7 | Confident | 81.7 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 3.5 | 176 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | E13 K14 M52 | E13-T16 PolarHBondContact O-N 3.1Å; E13-T16 PolarHBondContact O-OG1 2.66Å; K14-T16 PolarHBondContact O-N 3.02Å; T16-M52 HydrophobicContact CG2-CE 3.41Å; T16-M52 VanDerWaalsContact CG2-CE 3.41Å; T16-M52 HydrophobicContact CG2-SD 3.67Å |
| 17 | S | 85.2 | Confident | 82.4 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | trans | -60.4 | 148.3 | 179.2 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | K14 D19 R23 | K14-S17 VanDerWaalsContact O-CB 3.23Å; K14-S17 WeakPolarHBondContact O-CB 3.48Å; K14-S17 PolarHBondContact O-N 2.76Å; S17-D19 PolarHBondContact O-N 3.47Å; S17-D19 PolarHBondContact OG-N 3.12Å; S17-R23 VanDerWaalsContact O-CD 3.29Å; S17-R23 WeakPolarHBondContact O-CD 3.49Å; S17-R23 WeakPolarHBondContact O-CG 3.48Å; S17-R23 PolarHBondContact O-NH1 3.02Å | ||
| 18 | T | 78.8 | Confident | 83 | Confident | 142 Ų | 142 | 58.6 Ų | 58.6 | 87% | 0.871 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -66.7 | -26.4 | 174.9 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | R23 | T18-R23 VanDerWaalsContact C-NH1 3.34Å; T18-R23 PolarHBondContact O-NH1 3.18Å |
| 19 | D | 84.2 | Confident | 83.4 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -82.3 | 128.6 | -179.9 | -171.9 | -19 | 0 | 0 | 0 | 112.1 | S17 D21 F22 R23 | S17-D19 PolarHBondContact O-N 3.47Å; S17-D19 PolarHBondContact OG-N 3.12Å; D19-D21 VanDerWaalsContact C-N 3.33Å; D19-D21 PolarHBondContact O-N 2.73Å; D19-D21 PolarHBondContact OD1-N 2.85Å; D19-F22 HydrophobicContact CB-CB 4.48Å; D19-F22 HydrophobicContact CB-CD2 3.81Å; D19-R23 WeakPolarHBondContact O-CG 3.35Å; D19-R23 PolarHBondContact O-N 2.69Å |
| 20 | K | 83.1 | Confident | 83.7 | Confident | 102 Ų | 102 | 59 Ų | 59 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | -179.2 | 67.7 | 173.3 | -169.8 | 162.1 | 0 | 112.9 | R23 F24 | K20-R23 PolarHBondContact O-N 2.92Å; K20-F24 WeakPolarHBondContact O-CB 3.28Å; K20-F24 PolarHBondContact O-N 2.83Å |
| 21 | D | 85.1 | Confident | 83.8 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.5 | -36.4 | -172.7 | -67.8 | -17.7 | 0 | 0 | 0 | 109.8 | D19 F24 M25 | D19-D21 VanDerWaalsContact C-N 3.33Å; D19-D21 PolarHBondContact O-N 2.73Å; D19-D21 PolarHBondContact OD1-N 2.85Å; D21-F24 PolarHBondContact O-N 2.71Å; D21-M25 WeakPolarHBondContact O-CB 3.47Å; D21-M25 WeakPolarHBondContact O-CG 3.4Å; D21-M25 PolarHBondContact O-N 2.78Å |
| 22 | F | 83.6 | Confident | 83.9 | Confident | 96 Ų | 96 | 61.9 Ų | 61.9 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 171.4 | -80 | -73 | 0 | 0 | 0 | 112.4 | D19 A26 | D19-F22 HydrophobicContact CB-CB 4.48Å; D19-F22 HydrophobicContact CB-CD2 3.81Å; F22-A26 WeakPolarHBondContact O-CB 3.38Å; F22-A26 PolarHBondContact O-N 2.66Å |
| 23 | R | 85.8 | Confident | 83.8 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175 | -62.7 | -161.1 | -60 | -91.5 | 4.6 | 111.8 | M15 S17 T18 D19 K20 T27 D59 V64 | M15-R23 WeakPolarHBondContact O-CD 3.17Å; M15-R23 WeakPolarHBondContact O-CG 3.16Å; S17-R23 VanDerWaalsContact O-CD 3.29Å; S17-R23 WeakPolarHBondContact O-CD 3.49Å; S17-R23 WeakPolarHBondContact O-CG 3.48Å; S17-R23 PolarHBondContact O-NH1 3.02Å; T18-R23 VanDerWaalsContact C-NH1 3.34Å; T18-R23 PolarHBondContact O-NH1 3.18Å; D19-R23 WeakPolarHBondContact O-CG 3.35Å; D19-R23 PolarHBondContact O-N 2.69Å; K20-R23 PolarHBondContact O-N 2.92Å; R23-T27 WeakPolarHBondContact O-CB 3.43Å; R23-T27 PolarHBondContact O-N 3.25Å; R23-T27 PolarHBondContact O-OG1 3.28Å; R23-D59 WeakPolarHBondContact CD-OD2 3.49Å; R23-D59 IonicContact CZ-OD1 2.86Å; R23-D59 IonicContact CZ-OD2 2.9Å; R23-D59 VanDerWaalsContact CZ-OD2 3.29Å; R23-D59 IonicContact NE-OD1 3.44Å; R23-D59 IonicContact NE-OD2 3.94Å; R23-D59 PolarHBondContact NE-OD2 2.86Å; R23-D59 IonicContact NH2-OD1 3.64Å; R23-D59 PolarHBondContact NH2-OD1 2.74Å; R23-D59 IonicContact NH2-OD2 2.82Å; R23-D59 PolarHBondContact NH2-OD2 3.03Å; R23-V64 HydrophobicContact CB-CG1 4.22Å; R23-V64 HydrophobicContact CB-CG2 4.19Å |
| 24 | F | 86.3 | Confident | 83.5 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -52.1 | 177.5 | -176.2 | -85 | 0 | 0 | 0 | 111.7 | K20 D21 A26 T27 N28 E63 V64 L67 | K20-F24 WeakPolarHBondContact O-CB 3.28Å; K20-F24 PolarHBondContact O-N 2.83Å; D21-F24 PolarHBondContact O-N 2.71Å; F24-A26 PolarHBondContact O-N 3.27Å; F24-T27 PolarHBondContact O-N 3.39Å; F24-N28 WeakPolarHBondContact O-CB 3.44Å; F24-N28 PolarHBondContact O-N 3.01Å; F24-E63 HydrophobicContact CD2-CB 4.05Å; F24-E63 HydrophobicContact CE2-CB 4.07Å; F24-V64 HydrophobicContact CB-CG2 4.17Å; F24-L67 HydrophobicContact CD1-CD1 4.02Å; F24-L67 HydrophobicContact CD2-CD1 3.3Å; F24-L67 HydrophobicContact CD2-CG 4.22Å; F24-L67 HydrophobicContact CE1-CD1 3.95Å; F24-L67 HydrophobicContact CE2-CD1 3.22Å; F24-L67 HydrophobicContact CE2-CG 3.83Å; F24-L67 HydrophobicContact CG-CD1 3.71Å; F24-L67 HydrophobicContact CZ-CD1 3.57Å; F24-L67 HydrophobicContact CZ-CG 4.28Å |
| 25 | M | 84.9 | Confident | 83.4 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 179 | -73.4 | -166 | -72.1 | 0 | 0 | 111.7 | D21 T27 N28 D29 | D21-M25 WeakPolarHBondContact O-CB 3.47Å; D21-M25 WeakPolarHBondContact O-CG 3.4Å; D21-M25 PolarHBondContact O-N 2.78Å; M25-T27 VanDerWaalsContact C-N 3.29Å; M25-T27 PolarHBondContact O-N 3.38Å; M25-N28 PolarHBondContact O-N 3.01Å; M25-D29 WeakPolarHBondContact O-CB 2.94Å; M25-D29 PolarHBondContact O-N 3.28Å |
| 26 | A | 85.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L11 K14 M15 F22 F24 L30 | L11-A26 HydrophobicContact CD2-CB 4.25Å; K14-A26 HydrophobicContact CB-CB 3.75Å; M15-A26 HydrophobicContact CE-CB 4.39Å; M15-A26 VanDerWaalsContact CE-O 3.24Å; M15-A26 WeakPolarHBondContact CE-O 3.25Å; M15-A26 HydrophobicContact CG-CB 3.85Å; F22-A26 WeakPolarHBondContact O-CB 3.38Å; F22-A26 PolarHBondContact O-N 2.66Å; F24-A26 PolarHBondContact O-N 3.27Å; A26-L30 WeakPolarHBondContact O-CB 2.81Å; A26-L30 PolarHBondContact O-N 3.44Å |
| 27 | T | 84 | Confident | 82.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | R23 F24 M25 L30 M31 L53 L67 | R23-T27 WeakPolarHBondContact O-CB 3.43Å; R23-T27 PolarHBondContact O-N 3.25Å; R23-T27 PolarHBondContact O-OG1 3.28Å; F24-T27 PolarHBondContact O-N 3.39Å; M25-T27 VanDerWaalsContact C-N 3.29Å; M25-T27 PolarHBondContact O-N 3.38Å; T27-L30 PolarHBondContact O-N 3.14Å; T27-M31 PolarHBondContact O-N 2.95Å; T27-L53 HydrophobicContact CG2-CD2 4.41Å; T27-L67 HydrophobicContact CG2-CB 3.86Å |
| 28 | N | 86.9 | Confident | 81.1 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 175.6 | -173.4 | 65.1 | 0 | 0 | 0 | 112.3 | F24 M25 M31 L32 L67 | F24-N28 WeakPolarHBondContact O-CB 3.44Å; F24-N28 PolarHBondContact O-N 3.01Å; M25-N28 PolarHBondContact O-N 3.01Å; N28-M31 WeakPolarHBondContact O-CB 3.49Å; N28-M31 PolarHBondContact O-N 3.34Å; N28-L32 WeakPolarHBondContact O-CG 3.35Å; N28-L32 PolarHBondContact O-N 3.2Å; N28-L67 HydrophobicContact CB-CD1 4.15Å |
| 29 | D | 85.5 | Confident | 80.5 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 176 | -70.5 | -9.5 | 0 | 0 | 0 | 111 | L11 M25 M31 L32 E33 | L11-D29 HydrophobicContact CD1-CB 4.49Å; L11-D29 HydrophobicContact CD2-CB 3.94Å; M25-D29 WeakPolarHBondContact O-CB 2.94Å; M25-D29 PolarHBondContact O-N 3.28Å; D29-M31 VanDerWaalsContact C-N 3.33Å; D29-M31 PolarHBondContact O-N 3.02Å; D29-L32 PolarHBondContact O-N 3.11Å; D29-E33 WeakPolarHBondContact O-CG 3.35Å; D29-E33 PolarHBondContact O-N 2.98Å |
| 30 | L | 84.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 173.1 | -178.2 | 66.9 | 0 | 0 | 0 | 111.7 | L11 M15 A26 T27 L32 E33 L34 V49 L53 | L11-L30 HydrophobicContact CD1-CB 4.33Å; M15-L30 HydrophobicContact CE-CB 3.58Å; M15-L30 HydrophobicContact CE-CD2 3.41Å; M15-L30 VanDerWaalsContact CE-CD2 3.41Å; M15-L30 HydrophobicContact CE-CG 4.07Å; M15-L30 HydrophobicContact SD-CD2 4.33Å; A26-L30 WeakPolarHBondContact O-CB 2.81Å; A26-L30 PolarHBondContact O-N 3.44Å; T27-L30 PolarHBondContact O-N 3.14Å; L30-L32 PolarHBondContact O-N 2.73Å; L30-E33 PolarHBondContact O-N 2.74Å; L30-L34 HydrophobicContact CD1-CD1 4.4Å; L30-L34 HydrophobicContact CD1-CG 4.35Å; L30-L34 HydrophobicContact CD2-CD1 4.42Å; L30-L34 HydrophobicContact CG-CD1 3.97Å; L30-L34 HydrophobicContact CG-CG 4.34Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.96Å; L30-V49 HydrophobicContact CD2-CG1 4.06Å; L30-L53 HydrophobicContact CD2-CD1 4.29Å; L30-L53 HydrophobicContact CD2-CD2 4.28Å; L30-L53 HydrophobicContact CD2-CG 4.4Å |
| 31 | M | 83.2 | Confident | 78.9 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 177.1 | -167.2 | -177.5 | 60.9 | 0 | 0 | 111.9 | T27 N28 D29 E33 L34 Q35 K70 C71 | T27-M31 PolarHBondContact O-N 2.95Å; N28-M31 WeakPolarHBondContact O-CB 3.49Å; N28-M31 PolarHBondContact O-N 3.34Å; D29-M31 VanDerWaalsContact C-N 3.33Å; D29-M31 PolarHBondContact O-N 3.02Å; M31-E33 VanDerWaalsContact C-N 3.28Å; M31-E33 PolarHBondContact O-N 3.31Å; M31-L34 PolarHBondContact O-N 3.06Å; M31-Q35 WeakPolarHBondContact O-CG 3.35Å; M31-Q35 PolarHBondContact O-N 3.38Å; M31-Q35 VanDerWaalsContact O-N 3.15Å; M31-K70 HydrophobicContact SD-CB 4.17Å; M31-C71 VanDerWaalsContact CB-SG 3.56Å |
| 32 | L | 83.8 | Confident | 78.5 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 42% | 0.424 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 179.5 | -71.5 | 173.8 | 0 | 0 | 0 | 112.2 | N28 D29 L30 | N28-L32 WeakPolarHBondContact O-CG 3.35Å; N28-L32 PolarHBondContact O-N 3.2Å; D29-L32 PolarHBondContact O-N 3.11Å; L30-L32 PolarHBondContact O-N 2.73Å |
| 33 | E | 80.4 | Confident | 78.1 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70 | -45.8 | 172.6 | -71 | -56.5 | 142.7 | 0 | 0 | 111.4 | D29 L30 M31 Q35 K36 I39 | D29-E33 WeakPolarHBondContact O-CG 3.35Å; D29-E33 PolarHBondContact O-N 2.98Å; L30-E33 PolarHBondContact O-N 2.74Å; M31-E33 VanDerWaalsContact C-N 3.28Å; M31-E33 PolarHBondContact O-N 3.31Å; E33-Q35 PolarHBondContact O-N 3.07Å; E33-K36 VanDerWaalsContact CD-NZ 3.27Å; E33-K36 WeakPolarHBondContact O-CB 3.43Å; E33-K36 PolarHBondContact O-N 3.45Å; E33-K36 IonicContact OE1-NZ 2.91Å; E33-K36 PolarHBondContact OE1-NZ 3.04Å; E33-K36 IonicContact OE2-NZ 2.79Å; E33-K36 PolarHBondContact OE2-NZ 3.22Å; E33-I39 HydrophobicContact CB-CD1 3.75Å; E33-I39 WeakPolarHBondContact O-CD1 3.4Å |
| 34 | L | 76.6 | Confident | 77.7 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.4 | -24.6 | 179.9 | -71.2 | 171.6 | 0 | 0 | 0 | 113.9 | L30 M31 K36 L41 P74 L75 | L30-L34 HydrophobicContact CD1-CD1 4.4Å; L30-L34 HydrophobicContact CD1-CG 4.35Å; L30-L34 HydrophobicContact CD2-CD1 4.42Å; L30-L34 HydrophobicContact CG-CD1 3.97Å; L30-L34 HydrophobicContact CG-CG 4.34Å; L30-L34 VanDerWaalsContact O-CG 3.3Å; L30-L34 WeakPolarHBondContact O-CG 3.33Å; L30-L34 PolarHBondContact O-N 2.96Å; M31-L34 PolarHBondContact O-N 3.06Å; L34-K36 VanDerWaalsContact C-N 3.29Å; L34-K36 PolarHBondContact O-N 3.23Å; L34-L41 HydrophobicContact CD2-CD1 4.19Å; L34-P74 HydrophobicContact CB-CB 4.27Å; L34-P74 HydrophobicContact CB-CG 4.38Å; L34-L75 HydrophobicContact CD1-CB 4.45Å; L34-L75 HydrophobicContact CD1-CD1 4.06Å; L34-L75 HydrophobicContact CD2-CD1 3.96Å |
| 35 | Q | 79.9 | Confident | 77.3 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.6 | 175.3 | -72.9 | 176.7 | -5.5 | 0 | 0 | 113.8 | M31 E33 P74 | M31-Q35 WeakPolarHBondContact O-CG 3.35Å; M31-Q35 PolarHBondContact O-N 3.38Å; M31-Q35 VanDerWaalsContact O-N 3.15Å; E33-Q35 PolarHBondContact O-N 3.07Å; Q35-P74 HydrophobicContact CG-CB 4.44Å |
| 36 | K | 80.8 | Confident | 77 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -84.6 | 136.2 | 178.1 | -62.7 | 172.2 | -170.6 | 170.5 | 0 | 110.7 | E33 L34 S38 | E33-K36 VanDerWaalsContact CD-NZ 3.27Å; E33-K36 WeakPolarHBondContact O-CB 3.43Å; E33-K36 PolarHBondContact O-N 3.45Å; E33-K36 IonicContact OE1-NZ 2.91Å; E33-K36 PolarHBondContact OE1-NZ 3.04Å; E33-K36 IonicContact OE2-NZ 2.79Å; E33-K36 PolarHBondContact OE2-NZ 3.22Å; L34-K36 VanDerWaalsContact C-N 3.29Å; L34-K36 PolarHBondContact O-N 3.23Å; K36-S38 PolarHBondContact O-N 3.42Å |
| 37 | D | 61.9 | Low | 76.9 | Confident | 146 Ų | 146 | 69.5 Ų | 69.5 | 78% | 0.781 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -8.7 | -178.8 | -75.3 | -32.7 | 0 | 0 | 0 | 115.5 | K78 | D37-K78 IonicContact OD1-NZ 2.84Å; D37-K78 PolarHBondContact OD1-NZ 3.45Å |
| 38 | S | 60 | Low | 76.8 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 73% | 0.734 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.8 | -174.1 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | K36 | K36-S38 PolarHBondContact O-N 3.42Š|
| 39 | I | 65.1 | Low | 76.6 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | trans | -92.6 | 125.7 | -174.6 | -52.5 | -171 | 0 | 0 | 0 | 110.7 | V4 E33 L41 | V4-I39 HydrophobicContact CG1-CG2 4.48Å; E33-I39 HydrophobicContact CB-CD1 3.75Å; E33-I39 WeakPolarHBondContact O-CD1 3.4Å; I39-L41 HydrophobicContact CG2-CD2 4.04Å; I39-L41 HydrophobicContact CG2-CG 4.3Å | ||
| 40 | K | 64.8 | Low | 76.5 | Confident | 193 Ų | 193 | 69.2 Ų | 69.2 | 84% | 0.839 | 34% | 0.339 | S | S | * | . | trans | -111.8 | 120.7 | 163.2 | -64.9 | -172.1 | 178.7 | -174.6 | 0 | 107.6 | ||||
| 41 | L | 69.2 | Low | 76.5 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | trans | -85.9 | 140.9 | 176.5 | -64.6 | 172.5 | 0 | 0 | 0 | 109.6 | I8 L34 I39 E46 L75 V79 | I8-L41 HydrophobicContact CD1-CD2 3.47Å; I8-L41 VanDerWaalsContact CD1-CD2 3.47Å; L34-L41 HydrophobicContact CD2-CD1 4.19Å; I39-L41 HydrophobicContact CG2-CD2 4.04Å; I39-L41 HydrophobicContact CG2-CG 4.3Å; L41-E46 HydrophobicContact CB-CG 3.47Å; L41-E46 VanDerWaalsContact CB-CG 3.47Å; L41-E46 HydrophobicContact CD1-CG 4.16Å; L41-E46 HydrophobicContact CG-CG 4.46Å; L41-L75 HydrophobicContact CD1-CD1 4.5Å; L41-V79 HydrophobicContact CD1-CG2 4.43Å | ||
| 42 | D | 77 | Confident | 76.5 | Confident | 104 Ų | 104 | 73 Ų | 73 | 56% | 0.556 | 36% | 0.36 | S | S | * | . | trans | -79.4 | 151.2 | 168.6 | -64.1 | -42.4 | 0 | 0 | 0 | 110 | D44 S45 E46 | D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 3.45Å; D42-S45 CarbonylContact O-C 3.27Å; D42-S45 WeakPolarHBondContact O-CA 3.41Å; D42-S45 WeakPolarHBondContact O-CB 3.45Å; D42-S45 PolarHBondContact O-N 3.45Å; D42-E46 WeakPolarHBondContact O-CG 3.36Å; D42-E46 PolarHBondContact O-N 3.13Å | ||
| 43 | E | 74.9 | Confident | 76.5 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -32.9 | -172.7 | -168.6 | 167.9 | 155.4 | 0 | 0 | 114.4 | R47 K80 | E43-R47 PolarHBondContact O-N 3.27Å; E43-K80 IonicContact OE2-NZ 2.73Å; E43-K80 PolarHBondContact OE2-NZ 3.29Å |
| 44 | D | 78 | Confident | 76.7 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.2 | -37.1 | 174.6 | -173.4 | 51.5 | 0 | 0 | 0 | 112 | D42 K48 | D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 3.45Å; D44-K48 VanDerWaalsContact O-CG 3.32Å; D44-K48 WeakPolarHBondContact O-CG 3.3Å; D44-K48 PolarHBondContact O-N 3.37Å; D44-K48 VanDerWaalsContact O-N 3.13Å; D44-K48 IonicContact OD1-NZ 3.08Å; D44-K48 WeakPolarHBondContact OD2-CE 3.44Å; D44-K48 IonicContact OD2-NZ 3.25Å; D44-K48 PolarHBondContact OD2-NZ 3.5Å |
| 45 | S | 76.8 | Confident | 77.1 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | D42 K48 V49 | D42-S45 CarbonylContact O-C 3.27Å; D42-S45 WeakPolarHBondContact O-CA 3.41Å; D42-S45 WeakPolarHBondContact O-CB 3.45Å; D42-S45 PolarHBondContact O-N 3.45Å; S45-K48 PolarHBondContact O-N 2.74Å; S45-V49 WeakPolarHBondContact O-CB 3.41Å; S45-V49 WeakPolarHBondContact O-CG2 3.48Å; S45-V49 PolarHBondContact O-N 3.14Å |
| 46 | E | 79.5 | Confident | 77.3 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.028 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56 | -51.8 | 173 | -71.3 | -180 | 160.8 | 0 | 0 | 111.2 | L41 D42 K48 V49 V50 V79 | L41-E46 HydrophobicContact CB-CG 3.47Å; L41-E46 VanDerWaalsContact CB-CG 3.47Å; L41-E46 HydrophobicContact CD1-CG 4.16Å; L41-E46 HydrophobicContact CG-CG 4.46Å; D42-E46 WeakPolarHBondContact O-CG 3.36Å; D42-E46 PolarHBondContact O-N 3.13Å; E46-K48 VanDerWaalsContact C-N 3.31Å; E46-K48 PolarHBondContact O-N 3.24Å; E46-V49 PolarHBondContact O-N 3.4Å; E46-V50 WeakPolarHBondContact O-CG2 3.41Å; E46-V50 PolarHBondContact O-N 3.27Å; E46-V79 HydrophobicContact CB-CG1 3.96Å; E46-V79 HydrophobicContact CG-CG1 3.99Å; E46-V79 HydrophobicContact CG-CG2 4.42Å |
| 47 | R | 82.2 | Confident | 77.4 | Confident | 149 Ų | 149 | 66.1 Ų | 66.1 | 56% | 0.562 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | -179.2 | -169.2 | -179.8 | -176.1 | -168.8 | 1 | 112.2 | E43 N51 | E43-R47 PolarHBondContact O-N 3.27Å; R47-N51 WeakPolarHBondContact O-CB 3.38Å; R47-N51 VanDerWaalsContact O-CG 3.31Å; R47-N51 PolarHBondContact O-N 3.25Å; R47-N51 VanDerWaalsContact O-N 3.1Å; R47-N51 PolarHBondContact O-ND2 3.4Å |
| 48 | K | 81.9 | Confident | 78.4 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 177.3 | -74.3 | 169.8 | 178.4 | 165.6 | 0 | 112 | L12 D44 S45 E46 M52 | L12-K48 HydrophobicContact CD1-CB 3.93Å; D44-K48 VanDerWaalsContact O-CG 3.32Å; D44-K48 WeakPolarHBondContact O-CG 3.3Å; D44-K48 PolarHBondContact O-N 3.37Å; D44-K48 VanDerWaalsContact O-N 3.13Å; D44-K48 IonicContact OD1-NZ 3.08Å; D44-K48 WeakPolarHBondContact OD2-CE 3.44Å; D44-K48 IonicContact OD2-NZ 3.25Å; D44-K48 PolarHBondContact OD2-NZ 3.5Å; S45-K48 PolarHBondContact O-N 2.74Å; E46-K48 VanDerWaalsContact C-N 3.31Å; E46-K48 PolarHBondContact O-N 3.24Å; K48-M52 VanDerWaalsContact O-CB 3.24Å; K48-M52 WeakPolarHBondContact O-CB 3.39Å; K48-M52 PolarHBondContact O-N 3.49Å |
| 49 | V | 82.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | I8 L12 L30 S45 E46 M52 L53 L75 | I8-V49 HydrophobicContact CG2-CG2 3.83Å; L12-V49 HydrophobicContact CD1-CG2 4.32Å; L12-V49 HydrophobicContact CD2-CG2 4.15Å; L30-V49 HydrophobicContact CD2-CG1 4.06Å; S45-V49 WeakPolarHBondContact O-CB 3.41Å; S45-V49 WeakPolarHBondContact O-CG2 3.48Å; S45-V49 PolarHBondContact O-N 3.14Å; E46-V49 PolarHBondContact O-N 3.4Å; V49-M52 PolarHBondContact O-N 3.05Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.44Å; V49-L53 WeakPolarHBondContact O-CB 3.44Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.24Å; V49-L75 HydrophobicContact CG1-CD1 3.95Å; V49-L75 HydrophobicContact CG1-CD2 4.5Å |
| 50 | V | 83.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | E46 M52 L53 L54 L75 Q83 M87 | E46-V50 WeakPolarHBondContact O-CG2 3.41Å; E46-V50 PolarHBondContact O-N 3.27Å; V50-M52 VanDerWaalsContact C-N 3.3Å; V50-M52 PolarHBondContact O-N 2.84Å; V50-L53 PolarHBondContact O-N 3.21Å; V50-L54 HydrophobicContact CG1-CD1 3.83Å; V50-L54 HydrophobicContact CG1-CG 4.41Å; V50-L54 WeakPolarHBondContact O-CB 3.46Å; V50-L54 VanDerWaalsContact O-CG 3.24Å; V50-L54 WeakPolarHBondContact O-CG 3.34Å; V50-L54 PolarHBondContact O-N 2.92Å; V50-L75 HydrophobicContact CG2-CD2 3.87Å; V50-Q83 HydrophobicContact CG2-CB 4.47Å; V50-M87 HydrophobicContact CG1-CB 4.14Å |
| 51 | N | 84.8 | Confident | 81.4 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 178.5 | -75 | -28.1 | 0 | 0 | 0 | 112.7 | R47 R55 | R47-N51 WeakPolarHBondContact O-CB 3.38Å; R47-N51 VanDerWaalsContact O-CG 3.31Å; R47-N51 PolarHBondContact O-N 3.25Å; R47-N51 VanDerWaalsContact O-N 3.1Å; R47-N51 PolarHBondContact O-ND2 3.4Å; N51-R55 WeakPolarHBondContact O-CB 3.36Å; N51-R55 PolarHBondContact O-N 2.76Å |
| 52 | M | 83.8 | Confident | 82 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 16% | 0.163 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.8 | -46 | 178.2 | -170.8 | 60.2 | 70.4 | 0 | 0 | 111.4 | L12 M15 T16 K48 V49 V50 L54 R55 L56 | L12-M52 HydrophobicContact CD2-CB 3.65Å; L12-M52 HydrophobicContact CD2-CG 3.81Å; M15-M52 HydrophobicContact CB-CG 4.03Å; M15-M52 HydrophobicContact CB-SD 4.33Å; M15-M52 HydrophobicContact SD-CG 3.9Å; T16-M52 HydrophobicContact CG2-CE 3.41Å; T16-M52 VanDerWaalsContact CG2-CE 3.41Å; T16-M52 HydrophobicContact CG2-SD 3.67Å; K48-M52 VanDerWaalsContact O-CB 3.24Å; K48-M52 WeakPolarHBondContact O-CB 3.39Å; K48-M52 PolarHBondContact O-N 3.49Å; V49-M52 PolarHBondContact O-N 3.05Å; V50-M52 VanDerWaalsContact C-N 3.3Å; V50-M52 PolarHBondContact O-N 2.84Å; M52-L54 VanDerWaalsContact C-N 3.35Å; M52-L54 PolarHBondContact O-N 3.33Å; M52-R55 WeakPolarHBondContact O-CB 3.11Å; M52-R55 PolarHBondContact O-N 3.2Å; M52-R55 VanDerWaalsContact O-N 3.16Å; M52-L56 HydrophobicContact CG-CD1 4.5Å; M52-L56 WeakPolarHBondContact O-CG 3.46Å; M52-L56 PolarHBondContact O-N 3.23Å |
| 53 | L | 83.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 176.7 | -76 | 171.1 | 0 | 0 | 0 | 110.9 | T27 L30 V49 V50 R55 L56 L57 C71 L72 L75 | T27-L53 HydrophobicContact CG2-CD2 4.41Å; L30-L53 HydrophobicContact CD2-CD1 4.29Å; L30-L53 HydrophobicContact CD2-CD2 4.28Å; L30-L53 HydrophobicContact CD2-CG 4.4Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.44Å; V49-L53 WeakPolarHBondContact O-CB 3.44Å; V49-L53 WeakPolarHBondContact O-CG 3.49Å; V49-L53 PolarHBondContact O-N 3.24Å; V50-L53 PolarHBondContact O-N 3.21Å; L53-R55 VanDerWaalsContact C-N 3.27Å; L53-R55 PolarHBondContact O-N 2.89Å; L53-L56 HydrophobicContact CD2-CD1 4.44Å; L53-L56 WeakPolarHBondContact O-CA 3.34Å; L53-L56 WeakPolarHBondContact O-CB 3.33Å; L53-L56 PolarHBondContact O-N 2.87Å; L53-L57 VanDerWaalsContact O-CD1 3.27Å; L53-L57 WeakPolarHBondContact O-CD1 3.3Å; L53-L57 PolarHBondContact O-N 2.96Å; L53-C71 HydrophobicContact CD1-CB 4.19Å; L53-C71 HydrophobicContact CD2-CB 3.85Å; L53-L72 HydrophobicContact CB-CD2 4.3Å; L53-L75 HydrophobicContact CD1-CD2 3.68Å |
| 54 | L | 83.7 | Confident | 82.8 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -38 | 174.6 | -70.9 | 173.3 | 0 | 0 | 0 | 112.6 | V50 M52 L57 M87 I90 L91 | V50-L54 HydrophobicContact CG1-CD1 3.83Å; V50-L54 HydrophobicContact CG1-CG 4.41Å; V50-L54 WeakPolarHBondContact O-CB 3.46Å; V50-L54 VanDerWaalsContact O-CG 3.24Å; V50-L54 WeakPolarHBondContact O-CG 3.34Å; V50-L54 PolarHBondContact O-N 2.92Å; M52-L54 VanDerWaalsContact C-N 3.35Å; M52-L54 PolarHBondContact O-N 3.33Å; L54-L57 HydrophobicContact CD2-CD1 4.16Å; L54-L57 PolarHBondContact O-N 3.1Å; L54-M87 HydrophobicContact CD2-CG 4.2Å; L54-I90 HydrophobicContact CD1-CB 4.15Å; L54-I90 HydrophobicContact CD1-CD1 3.55Å; L54-I90 HydrophobicContact CD1-CG1 4.44Å; L54-I90 HydrophobicContact CD1-CG2 4.1Å; L54-I90 HydrophobicContact CD2-CG2 4.24Å; L54-L91 HydrophobicContact CD2-CD2 4.17Å; L54-L91 HydrophobicContact CD2-CG 4.21Å |
| 55 | R | 84.8 | Confident | 83.1 | Confident | 175 Ų | 175 | 53 Ų | 53 | 66% | 0.66 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -68.5 | -33.5 | 174 | -170.3 | 178.2 | -177.1 | 179.7 | 0.5 | 112.7 | N51 M52 L53 L57 E58 | N51-R55 WeakPolarHBondContact O-CB 3.36Å; N51-R55 PolarHBondContact O-N 2.76Å; M52-R55 WeakPolarHBondContact O-CB 3.11Å; M52-R55 PolarHBondContact O-N 3.2Å; M52-R55 VanDerWaalsContact O-N 3.16Å; L53-R55 VanDerWaalsContact C-N 3.27Å; L53-R55 PolarHBondContact O-N 2.89Å; R55-L57 VanDerWaalsContact C-N 3.28Å; R55-L57 PolarHBondContact O-N 3.27Å; R55-E58 PolarHBondContact O-N 2.85Å; R55-E58 VanDerWaalsContact O-N 3.09Å |
| 56 | L | 84.4 | Confident | 83.5 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.1 | -17.6 | 176 | -68.3 | 173.8 | 0 | 0 | 0 | 113.1 | M15 M52 L53 E58 D59 V64 A68 | M15-L56 HydrophobicContact CB-CD1 4.15Å; M15-L56 HydrophobicContact CG-CD1 4.01Å; M15-L56 HydrophobicContact SD-CD1 3.93Å; M52-L56 HydrophobicContact CG-CD1 4.5Å; M52-L56 WeakPolarHBondContact O-CG 3.46Å; M52-L56 PolarHBondContact O-N 3.23Å; L53-L56 HydrophobicContact CD2-CD1 4.44Å; L53-L56 WeakPolarHBondContact O-CA 3.34Å; L53-L56 WeakPolarHBondContact O-CB 3.33Å; L53-L56 PolarHBondContact O-N 2.87Å; L56-E58 PolarHBondContact O-N 3.5Å; L56-D59 VanDerWaalsContact O-CB 3.29Å; L56-D59 WeakPolarHBondContact O-CB 3.21Å; L56-D59 PolarHBondContact O-N 3.48Å; L56-D59 VanDerWaalsContact O-N 3.16Å; L56-V64 HydrophobicContact CD2-CG1 4.11Å; L56-A68 HydrophobicContact CB-CB 3.92Å |
| 57 | L | 82.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25 | 166.2 | -76.8 | 102.3 | 0 | 0 | 0 | 111.7 | L53 L54 R55 D59 Q65 V69 L72 L91 I105 | L53-L57 VanDerWaalsContact O-CD1 3.27Å; L53-L57 WeakPolarHBondContact O-CD1 3.3Å; L53-L57 PolarHBondContact O-N 2.96Å; L54-L57 HydrophobicContact CD2-CD1 4.16Å; L54-L57 PolarHBondContact O-N 3.1Å; R55-L57 VanDerWaalsContact C-N 3.28Å; R55-L57 PolarHBondContact O-N 3.27Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-Q65 WeakPolarHBondContact O-CG 3.37Å; L57-Q65 PolarHBondContact O-NE2 3.47Å; L57-V69 HydrophobicContact CD2-CG2 4.05Å; L57-L72 HydrophobicContact CD1-CD1 4.16Å; L57-L72 HydrophobicContact CD2-CD1 4.43Å; L57-L91 HydrophobicContact CD2-CD2 3.96Å; L57-I105 HydrophobicContact CB-CD1 4.46Å; L57-I105 HydrophobicContact CB-CG2 4.31Å; L57-I105 HydrophobicContact CD2-CG1 4.18Å; L57-I105 HydrophobicContact CD2-CG2 4.07Å |
| 58 | E | 83.7 | Confident | 83.9 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 51% | 0.505 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 12.9 | 175.1 | -61.9 | -176.2 | -161.6 | 0 | 0 | 113.3 | R55 L56 L102 | R55-E58 PolarHBondContact O-N 2.85Å; R55-E58 VanDerWaalsContact O-N 3.09Å; L56-E58 PolarHBondContact O-N 3.5Å; E58-L102 HydrophobicContact CG-CD1 3.74Å; E58-L102 HydrophobicContact CG-CD2 4.47Å |
| 59 | D | 84.2 | Confident | 84.1 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | trans | -63.7 | 152.1 | 179.7 | -159.3 | -77.7 | 0 | 0 | 0 | 111.9 | R23 L56 L57 N61 V64 Q65 | R23-D59 WeakPolarHBondContact CD-OD2 3.49Å; R23-D59 IonicContact CZ-OD1 2.86Å; R23-D59 IonicContact CZ-OD2 2.9Å; R23-D59 VanDerWaalsContact CZ-OD2 3.29Å; R23-D59 IonicContact NE-OD1 3.44Å; R23-D59 IonicContact NE-OD2 3.94Å; R23-D59 PolarHBondContact NE-OD2 2.86Å; R23-D59 IonicContact NH2-OD1 3.64Å; R23-D59 PolarHBondContact NH2-OD1 2.74Å; R23-D59 IonicContact NH2-OD2 2.82Å; R23-D59 PolarHBondContact NH2-OD2 3.03Å; L56-D59 VanDerWaalsContact O-CB 3.29Å; L56-D59 WeakPolarHBondContact O-CB 3.21Å; L56-D59 PolarHBondContact O-N 3.48Å; L56-D59 VanDerWaalsContact O-N 3.16Å; L57-D59 VanDerWaalsContact C-N 3.34Å; D59-N61 VanDerWaalsContact C-N 3.25Å; D59-N61 PolarHBondContact O-N 3.44Å; D59-N61 PolarHBondContact OD1-N 3.11Å; D59-V64 HydrophobicContact CB-CB 4.44Å; D59-V64 HydrophobicContact CB-CG1 4.28Å; D59-Q65 HydrophobicContact CB-CG 4.26Å; D59-Q65 PolarHBondContact O-NE2 3.16Å | ||
| 60 | K | 82.6 | Confident | 84.2 | Confident | 206 Ų | 206 | 51 Ų | 51 | 90% | 0.896 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -72 | -19.8 | 177.1 | -62.3 | -174.7 | 179.7 | -177.2 | 0 | 112.7 | ||
| 61 | N | 84.9 | Confident | 84.2 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | trans | -102.2 | 123.7 | -179.7 | -174.9 | -10.1 | 0 | 0 | 0 | 112 | D59 E63 V64 Q65 | D59-N61 VanDerWaalsContact C-N 3.25Å; D59-N61 PolarHBondContact O-N 3.44Å; D59-N61 PolarHBondContact OD1-N 3.11Å; N61-E63 VanDerWaalsContact C-N 3.29Å; N61-E63 PolarHBondContact O-N 3.46Å; N61-E63 PolarHBondContact OD1-N 3.45Å; N61-V64 HydrophobicContact CB-CG2 4.23Å; N61-V64 PolarHBondContact O-N 2.93Å; N61-Q65 WeakPolarHBondContact O-CB 3.48Å; N61-Q65 PolarHBondContact O-N 3.07Å; N61-Q65 VanDerWaalsContact O-N 3.14Å | ||
| 62 | G | 82.1 | Confident | 84.2 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 32% | 0.32 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.3 | -28.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q65 N66 | G62-Q65 WeakPolarHBondContact O-CB 3.4Å; G62-N66 WeakPolarHBondContact O-CB 3.45Å; G62-N66 PolarHBondContact O-N 3.36Å; G62-N66 PolarHBondContact O-ND2 3.3Å |
| 63 | E | 82.6 | Confident | 84 | Confident | 112 Ų | 112 | 46.5 Ų | 46.5 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.9 | -40.9 | 178.7 | -67.3 | -176.7 | 154.5 | 0 | 0 | 112.3 | F24 N61 N66 L67 | F24-E63 HydrophobicContact CD2-CB 4.05Å; F24-E63 HydrophobicContact CE2-CB 4.07Å; N61-E63 VanDerWaalsContact C-N 3.29Å; N61-E63 PolarHBondContact O-N 3.46Å; N61-E63 PolarHBondContact OD1-N 3.45Å; E63-N66 PolarHBondContact O-N 2.72Å; E63-L67 PolarHBondContact O-N 3.16Å; E63-L67 VanDerWaalsContact O-N 3.07Å |
| 64 | V | 85.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | R23 F24 L56 D59 N61 L67 A68 | R23-V64 HydrophobicContact CB-CG1 4.22Å; R23-V64 HydrophobicContact CB-CG2 4.19Å; F24-V64 HydrophobicContact CB-CG2 4.17Å; L56-V64 HydrophobicContact CD2-CG1 4.11Å; D59-V64 HydrophobicContact CB-CB 4.44Å; D59-V64 HydrophobicContact CB-CG1 4.28Å; N61-V64 HydrophobicContact CB-CG2 4.23Å; N61-V64 PolarHBondContact O-N 2.93Å; V64-L67 PolarHBondContact O-N 3.48Å; V64-A68 WeakPolarHBondContact O-CB 3.39Å; V64-A68 PolarHBondContact O-N 3.21Å |
| 65 | Q | 84 | Confident | 83.8 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.9 | -51.5 | 171.4 | -92.1 | -174.3 | -21.2 | 0 | 0 | 112.8 | L57 D59 N61 G62 L67 A68 V69 I105 | L57-Q65 WeakPolarHBondContact O-CG 3.37Å; L57-Q65 PolarHBondContact O-NE2 3.47Å; D59-Q65 HydrophobicContact CB-CG 4.26Å; D59-Q65 PolarHBondContact O-NE2 3.16Å; N61-Q65 WeakPolarHBondContact O-CB 3.48Å; N61-Q65 PolarHBondContact O-N 3.07Å; N61-Q65 VanDerWaalsContact O-N 3.14Å; G62-Q65 WeakPolarHBondContact O-CB 3.4Å; Q65-L67 PolarHBondContact O-N 3.34Å; Q65-A68 WeakPolarHBondContact O-CB 3.45Å; Q65-A68 PolarHBondContact O-N 2.96Å; Q65-V69 PolarHBondContact O-N 3.48Å; Q65-V69 VanDerWaalsContact O-N 3.1Å; Q65-I105 HydrophobicContact CB-CD1 3.29Å; Q65-I105 HydrophobicContact CG-CD1 3.39Å |
| 66 | N | 85.3 | Confident | 83.5 | Confident | 78 Ų | 78 | 38.6 Ų | 38.6 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.2 | -38 | 178 | -83 | -49.3 | 0 | 0 | 0 | 113 | G62 E63 K70 | G62-N66 WeakPolarHBondContact O-CB 3.45Å; G62-N66 PolarHBondContact O-N 3.36Å; G62-N66 PolarHBondContact O-ND2 3.3Å; E63-N66 PolarHBondContact O-N 2.72Å; N66-K70 WeakPolarHBondContact O-CG 3.37Å; N66-K70 PolarHBondContact O-N 3.24Å; N66-K70 VanDerWaalsContact O-N 3.12Å |
| 67 | L | 85.2 | Confident | 83.1 | Confident | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.6 | -83.8 | -177.5 | 0 | 0 | 0 | 112 | F24 T27 N28 E63 V64 Q65 V69 K70 C71 | F24-L67 HydrophobicContact CD1-CD1 4.02Å; F24-L67 HydrophobicContact CD2-CD1 3.3Å; F24-L67 HydrophobicContact CD2-CG 4.22Å; F24-L67 HydrophobicContact CE1-CD1 3.95Å; F24-L67 HydrophobicContact CE2-CD1 3.22Å; F24-L67 HydrophobicContact CE2-CG 3.83Å; F24-L67 HydrophobicContact CG-CD1 3.71Å; F24-L67 HydrophobicContact CZ-CD1 3.57Å; F24-L67 HydrophobicContact CZ-CG 4.28Å; T27-L67 HydrophobicContact CG2-CB 3.86Å; N28-L67 HydrophobicContact CB-CD1 4.15Å; E63-L67 PolarHBondContact O-N 3.16Å; E63-L67 VanDerWaalsContact O-N 3.07Å; V64-L67 PolarHBondContact O-N 3.48Å; Q65-L67 PolarHBondContact O-N 3.34Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.19Å; L67-K70 PolarHBondContact O-N 2.98Å; L67-K70 VanDerWaalsContact O-N 3.16Å; L67-C71 PolarHBondContact O-N 3.13Å; L67-C71 PolarHBondContact O-SG 3.15Å |
| 68 | A | 86.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L56 V64 Q65 K70 C71 L72 | L56-A68 HydrophobicContact CB-CB 3.92Å; V64-A68 WeakPolarHBondContact O-CB 3.39Å; V64-A68 PolarHBondContact O-N 3.21Å; Q65-A68 WeakPolarHBondContact O-CB 3.45Å; Q65-A68 PolarHBondContact O-N 2.96Å; A68-K70 PolarHBondContact O-N 3.08Å; A68-C71 WeakPolarHBondContact O-CB 3.37Å; A68-C71 PolarHBondContact O-N 3.19Å; A68-C71 VanDerWaalsContact O-N 3.15Å; A68-L72 WeakPolarHBondContact O-CG 3Å; A68-L72 PolarHBondContact O-N 3.46Å |
| 69 | V | 85.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 173.7 | 169.7 | 0 | 0 | 0 | 0 | 111.9 | L57 Q65 L67 C71 L72 I105 M108 A112 | L57-V69 HydrophobicContact CD2-CG2 4.05Å; Q65-V69 PolarHBondContact O-N 3.48Å; Q65-V69 VanDerWaalsContact O-N 3.1Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.19Å; V69-C71 PolarHBondContact O-N 3.22Å; V69-L72 WeakPolarHBondContact O-CB 3.24Å; V69-L72 PolarHBondContact O-N 3.05Å; V69-L72 VanDerWaalsContact O-N 3.14Å; V69-I105 HydrophobicContact CG2-CD1 4.18Å; V69-I105 HydrophobicContact CG2-CG1 3.56Å; V69-M108 HydrophobicContact CG1-CB 4.15Å; V69-A112 HydrophobicContact CG1-CB 4.28Å |
| 70 | K | 84.6 | Confident | 82.3 | Confident | 135 Ų | 135 | 43.4 Ų | 43.4 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.5 | -28.9 | 177 | -72.7 | 178.4 | -179.2 | -180 | 0 | 113 | M31 N66 L67 A68 P74 | M31-K70 HydrophobicContact SD-CB 4.17Å; N66-K70 WeakPolarHBondContact O-CG 3.37Å; N66-K70 PolarHBondContact O-N 3.24Å; N66-K70 VanDerWaalsContact O-N 3.12Å; L67-K70 PolarHBondContact O-N 2.98Å; L67-K70 VanDerWaalsContact O-N 3.16Å; A68-K70 PolarHBondContact O-N 3.08Å; K70-P74 WeakPolarHBondContact O-CD 2.94Å |
| 71 | C | 84.6 | Confident | 82 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.1 | -25.7 | 175.5 | -66.5 | 0 | 0 | 0 | 0 | 113.3 | M31 L53 L67 A68 V69 A73 P74 L75 | M31-C71 VanDerWaalsContact CB-SG 3.56Å; L53-C71 HydrophobicContact CD1-CB 4.19Å; L53-C71 HydrophobicContact CD2-CB 3.85Å; L67-C71 PolarHBondContact O-N 3.13Å; L67-C71 PolarHBondContact O-SG 3.15Å; A68-C71 WeakPolarHBondContact O-CB 3.37Å; A68-C71 PolarHBondContact O-N 3.19Å; A68-C71 VanDerWaalsContact O-N 3.15Å; V69-C71 PolarHBondContact O-N 3.22Å; C71-A73 VanDerWaalsContact C-N 3.31Å; C71-A73 PolarHBondContact O-N 3.24Å; C71-P74 VanDerWaalsContact O-CD 3.31Å; C71-P74 WeakPolarHBondContact O-CD 3.29Å; C71-P74 WeakPolarHBondContact O-CG 3.5Å; C71-L75 WeakPolarHBondContact O-CB 3.45Å; C71-L75 PolarHBondContact O-N 3.39Å |
| 72 | L | 83.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 178.7 | -64.1 | 176.8 | 0 | 0 | 0 | 112 | L53 L57 A68 V69 L75 V76 M87 L91 V113 | L53-L72 HydrophobicContact CB-CD2 4.3Å; L57-L72 HydrophobicContact CD1-CD1 4.16Å; L57-L72 HydrophobicContact CD2-CD1 4.43Å; A68-L72 WeakPolarHBondContact O-CG 3Å; A68-L72 PolarHBondContact O-N 3.46Å; V69-L72 WeakPolarHBondContact O-CB 3.24Å; V69-L72 PolarHBondContact O-N 3.05Å; V69-L72 VanDerWaalsContact O-N 3.14Å; L72-L75 WeakPolarHBondContact O-CB 3.46Å; L72-L75 PolarHBondContact O-N 3.23Å; L72-V76 WeakPolarHBondContact O-CG2 3.32Å; L72-V76 PolarHBondContact O-N 3.26Å; L72-M87 HydrophobicContact CD2-CG 4.42Å; L72-M87 HydrophobicContact CD2-SD 3.69Å; L72-L91 HydrophobicContact CD1-CD1 4.22Å; L72-L91 HydrophobicContact CD1-CD2 4.41Å; L72-V113 HydrophobicContact CB-CG2 4.18Å |
| 73 | A | 79.7 | Confident | 81.6 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.3 | -62.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C71 L75 V76 A112 E116 | C71-A73 VanDerWaalsContact C-N 3.31Å; C71-A73 PolarHBondContact O-N 3.24Å; A73-L75 PolarHBondContact O-N 3.22Å; A73-L75 VanDerWaalsContact O-N 3.17Å; A73-V76 PolarHBondContact O-N 3.03Å; A73-A112 HydrophobicContact CB-CB 4.43Å; A73-E116 HydrophobicContact CB-CB 4.18Å; A73-E116 HydrophobicContact CB-CG 4.48Å; A73-E116 VanDerWaalsContact O-CG 3.27Å; A73-E116 WeakPolarHBondContact O-CG 3.43Å |
| 74 | P | 82.1 | Confident | 81.4 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.9 | -27.3 | -179.3 | 25.9 | -34.7 | 0 | 0 | 0 | 112.8 | L34 Q35 K70 C71 V76 S77 | L34-P74 HydrophobicContact CB-CB 4.27Å; L34-P74 HydrophobicContact CB-CG 4.38Å; Q35-P74 HydrophobicContact CG-CB 4.44Å; K70-P74 WeakPolarHBondContact O-CD 2.94Å; C71-P74 VanDerWaalsContact O-CD 3.31Å; C71-P74 WeakPolarHBondContact O-CD 3.29Å; C71-P74 WeakPolarHBondContact O-CG 3.5Å; P74-V76 PolarHBondContact O-N 3.27Å; P74-S77 PolarHBondContact O-N 3.31Å; P74-S77 PolarHBondContact O-OG 3.16Å |
| 75 | L | 81.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.7 | -170 | 69.6 | 0 | 0 | 0 | 112.8 | L34 L41 V49 V50 L53 C71 L72 A73 S77 K78 V79 M87 | L34-L75 HydrophobicContact CD1-CB 4.45Å; L34-L75 HydrophobicContact CD1-CD1 4.06Å; L34-L75 HydrophobicContact CD2-CD1 3.96Å; L41-L75 HydrophobicContact CD1-CD1 4.5Å; V49-L75 HydrophobicContact CG1-CD1 3.95Å; V49-L75 HydrophobicContact CG1-CD2 4.5Å; V50-L75 HydrophobicContact CG2-CD2 3.87Å; L53-L75 HydrophobicContact CD1-CD2 3.68Å; C71-L75 WeakPolarHBondContact O-CB 3.45Å; C71-L75 PolarHBondContact O-N 3.39Å; L72-L75 WeakPolarHBondContact O-CB 3.46Å; L72-L75 PolarHBondContact O-N 3.23Å; A73-L75 PolarHBondContact O-N 3.22Å; A73-L75 VanDerWaalsContact O-N 3.17Å; L75-S77 PolarHBondContact O-N 3.12Å; L75-K78 PolarHBondContact O-N 3.07Å; L75-V79 HydrophobicContact CD1-CG2 3.45Å; L75-V79 VanDerWaalsContact CD1-CG2 3.45Å; L75-V79 HydrophobicContact CG-CG2 3.63Å; L75-V79 VanDerWaalsContact O-CG2 3.31Å; L75-V79 WeakPolarHBondContact O-CG2 3.23Å; L75-V79 PolarHBondContact O-N 3.3Å; L75-M87 HydrophobicContact CD2-SD 4.4Å |
| 76 | V | 79.1 | Confident | 81.1 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.8 | -36.6 | 179 | 174 | 0 | 0 | 0 | 0 | 112 | L72 A73 P74 K78 V84 M87 V113 L117 | L72-V76 WeakPolarHBondContact O-CG2 3.32Å; L72-V76 PolarHBondContact O-N 3.26Å; A73-V76 PolarHBondContact O-N 3.03Å; P74-V76 PolarHBondContact O-N 3.27Å; V76-K78 VanDerWaalsContact C-N 3.32Å; V76-K78 PolarHBondContact O-N 2.59Å; V76-V84 HydrophobicContact CG1-CG1 4.46Å; V76-M87 HydrophobicContact CG2-CE 3.61Å; V76-V113 HydrophobicContact CG2-CB 4.11Å; V76-V113 HydrophobicContact CG2-CG1 3.74Å; V76-V113 HydrophobicContact CG2-CG2 3.87Å; V76-L117 HydrophobicContact CG1-CD2 3.82Å |
| 77 | S | 74.8 | Confident | 80.9 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -15.2 | -178.1 | 74.9 | 0 | 0 | 0 | 0 | 114.1 | P74 L75 | P74-S77 PolarHBondContact O-N 3.31Å; P74-S77 PolarHBondContact O-OG 3.16Å; L75-S77 PolarHBondContact O-N 3.12Å |
| 78 | K | 77.1 | Confident | 80.8 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 24% | 0.239 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -14.7 | -170.4 | -59.6 | -60.3 | -178.8 | -176.6 | 0 | 114.2 | D37 L75 V76 | D37-K78 IonicContact OD1-NZ 2.84Å; D37-K78 PolarHBondContact OD1-NZ 3.45Å; L75-K78 PolarHBondContact O-N 3.07Å; V76-K78 VanDerWaalsContact C-N 3.32Å; V76-K78 PolarHBondContact O-N 2.59Å |
| 79 | V | 77.4 | Confident | 80.7 | Confident | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.085 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -104.9 | 150.7 | -175.4 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | L41 E46 L75 Q83 | L41-V79 HydrophobicContact CD1-CG2 4.43Å; E46-V79 HydrophobicContact CB-CG1 3.96Å; E46-V79 HydrophobicContact CG-CG1 3.99Å; E46-V79 HydrophobicContact CG-CG2 4.42Å; L75-V79 HydrophobicContact CD1-CG2 3.45Å; L75-V79 VanDerWaalsContact CD1-CG2 3.45Å; L75-V79 HydrophobicContact CG-CG2 3.63Å; L75-V79 VanDerWaalsContact O-CG2 3.31Å; L75-V79 WeakPolarHBondContact O-CG2 3.23Å; L75-V79 PolarHBondContact O-N 3.3Å; V79-Q83 HydrophobicContact CG1-CB 3.4Å; V79-Q83 VanDerWaalsContact CG1-CB 3.4Å; V79-Q83 HydrophobicContact CG1-CG 3.89Å |
| 80 | K | 79.3 | Confident | 80.5 | Confident | 100 Ų | 100 | 40.5 Ų | 40.5 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | trans | -64.2 | 153.1 | 175.3 | -57.8 | -179.6 | -172 | 178 | 0 | 113.6 | E43 P82 Q83 V84 | E43-K80 IonicContact OE2-NZ 2.73Å; E43-K80 PolarHBondContact OE2-NZ 3.29Å; K80-P82 VanDerWaalsContact C-CD 3.45Å; K80-P82 HydrophobicContact CB-CG 4.47Å; K80-Q83 PolarHBondContact O-N 3.01Å; K80-Q83 VanDerWaalsContact O-N 3.14Å; K80-V84 PolarHBondContact O-N 3.06Å | ||
| 81 | E | 75.6 | Confident | 80.5 | Confident | 94 Ų | 94 | 34.1 Ų | 34.1 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -42.6 | -50 | -179.6 | -55 | -167.2 | 153.5 | 0 | 0 | 116.1 | Q83 V84 E85 S125 L126 | E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 3.41Å; E81-V84 PolarHBondContact O-N 2.94Å; E81-E85 PolarHBondContact O-N 3.24Å; E81-E85 VanDerWaalsContact O-N 3.08Å; E81-S125 PolarHBondContact OE1-OG 3.16Å; E81-L126 HydrophobicContact CB-CD1 3.72Å; E81-L126 HydrophobicContact CG-CB 4.18Å; E81-L126 HydrophobicContact CG-CD1 3.77Å; E81-L126 HydrophobicContact CG-CD2 4.26Å; E81-L126 HydrophobicContact CG-CG 4.28Å |
| 82 | P | 79.6 | Confident | 80.3 | Confident | 71 Ų | 71 | 34.3 Ų | 34.3 | 46% | 0.461 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -29.8 | -175.1 | 25.3 | -35.5 | 0 | 0 | 0 | 113.7 | K80 V86 | K80-P82 VanDerWaalsContact C-CD 3.45Å; K80-P82 HydrophobicContact CB-CG 4.47Å; P82-V86 WeakPolarHBondContact O-CG2 3.17Å; P82-V86 PolarHBondContact O-N 3.07Å; P82-V86 VanDerWaalsContact O-N 3.13Å |
| 83 | Q | 79.7 | Confident | 80.3 | Confident | 24 Ų | 24 | 37.9 Ų | 37.9 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -78.1 | -32.8 | 178.7 | -62.8 | -61.6 | -30.7 | 0 | 0 | 111.5 | V50 V79 K80 E81 E85 V86 M87 | V50-Q83 HydrophobicContact CG2-CB 4.47Å; V79-Q83 HydrophobicContact CG1-CB 3.4Å; V79-Q83 VanDerWaalsContact CG1-CB 3.4Å; V79-Q83 HydrophobicContact CG1-CG 3.89Å; K80-Q83 PolarHBondContact O-N 3.01Å; K80-Q83 VanDerWaalsContact O-N 3.14Å; E81-Q83 VanDerWaalsContact C-N 3.31Å; E81-Q83 PolarHBondContact O-N 3.41Å; Q83-E85 VanDerWaalsContact C-N 3.3Å; Q83-V86 PolarHBondContact O-N 3.21Å; Q83-M87 WeakPolarHBondContact O-CB 3.29Å; Q83-M87 PolarHBondContact O-N 3.39Å |
| 84 | V | 79.6 | Confident | 80.5 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 171.4 | -179.3 | 0 | 0 | 0 | 0 | 110 | V76 K80 E81 M87 V88 L126 V130 | V76-V84 HydrophobicContact CG1-CG1 4.46Å; K80-V84 PolarHBondContact O-N 3.06Å; E81-V84 PolarHBondContact O-N 2.94Å; V84-M87 HydrophobicContact CG1-CE 4.41Å; V84-M87 PolarHBondContact O-N 3.43Å; V84-V88 VanDerWaalsContact O-CG2 3.28Å; V84-V88 WeakPolarHBondContact O-CG2 3.42Å; V84-V88 PolarHBondContact O-N 3.22Å; V84-L126 HydrophobicContact CB-CD1 4.4Å; V84-V130 HydrophobicContact CG1-CG2 4.01Å |
| 85 | E | 80.1 | Confident | 80.2 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.6 | -70.1 | -169.8 | 167.2 | 0 | 0 | 112.9 | E81 Q83 V88 D89 S129 V130 K133 | E81-E85 PolarHBondContact O-N 3.24Å; E81-E85 VanDerWaalsContact O-N 3.08Å; Q83-E85 VanDerWaalsContact C-N 3.3Å; E85-V88 PolarHBondContact O-N 3.2Å; E85-D89 WeakPolarHBondContact O-CB 3.4Å; E85-D89 PolarHBondContact O-N 3.41Å; E85-S129 PolarHBondContact OE1-OG 3.41Å; E85-V130 HydrophobicContact CG-CG2 4.42Å; E85-K133 VanDerWaalsContact CD-NZ 3.26Å; E85-K133 IonicContact OE1-NZ 3.43Å; E85-K133 IonicContact OE2-NZ 2.77Å; E85-K133 PolarHBondContact OE2-NZ 3.17Å |
| 86 | V | 81.9 | Confident | 79.9 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.7 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | P82 Q83 V88 D89 I90 | P82-V86 WeakPolarHBondContact O-CG2 3.17Å; P82-V86 PolarHBondContact O-N 3.07Å; P82-V86 VanDerWaalsContact O-N 3.13Å; Q83-V86 PolarHBondContact O-N 3.21Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 3.36Å; V86-D89 PolarHBondContact O-N 3.41Å; V86-I90 HydrophobicContact CG1-CD1 3.75Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 3.23Å |
| 87 | M | 82.2 | Confident | 79.9 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 177.5 | -175.6 | 179.5 | 67.6 | 0 | 0 | 111.5 | V50 L54 L72 L75 V76 Q83 V84 L91 V113 | V50-M87 HydrophobicContact CG1-CB 4.14Å; L54-M87 HydrophobicContact CD2-CG 4.2Å; L72-M87 HydrophobicContact CD2-CG 4.42Å; L72-M87 HydrophobicContact CD2-SD 3.69Å; L75-M87 HydrophobicContact CD2-SD 4.4Å; V76-M87 HydrophobicContact CG2-CE 3.61Å; Q83-M87 WeakPolarHBondContact O-CB 3.29Å; Q83-M87 PolarHBondContact O-N 3.39Å; V84-M87 HydrophobicContact CG1-CE 4.41Å; V84-M87 PolarHBondContact O-N 3.43Å; M87-L91 HydrophobicContact CG-CD1 4.1Å; M87-L91 WeakPolarHBondContact O-CB 3.47Å; M87-L91 VanDerWaalsContact O-CG 3.22Å; M87-L91 WeakPolarHBondContact O-CG 3.48Å; M87-L91 PolarHBondContact O-N 3.05Å; M87-V113 HydrophobicContact CE-CG1 4.13Å; M87-V113 HydrophobicContact CE-CG2 3.54Å; M87-V113 HydrophobicContact SD-CG2 4.45Å |
| 88 | V | 82.9 | Confident | 79.7 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 178.5 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | V84 E85 V86 I90 L91 C92 L110 V113 V130 I134 | V84-V88 VanDerWaalsContact O-CG2 3.28Å; V84-V88 WeakPolarHBondContact O-CG2 3.42Å; V84-V88 PolarHBondContact O-N 3.22Å; E85-V88 PolarHBondContact O-N 3.2Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 3.36Å; V88-I90 VanDerWaalsContact C-N 3.34Å; V88-I90 PolarHBondContact O-N 3.25Å; V88-L91 PolarHBondContact O-N 3.26Å; V88-C92 WeakPolarHBondContact O-CB 3.4Å; V88-C92 PolarHBondContact O-N 3.36Å; V88-C92 PolarHBondContact O-SG 3.47Å; V88-C92 VanDerWaalsContact O-SG 3.32Å; V88-L110 HydrophobicContact CG1-CD1 4.33Å; V88-V113 HydrophobicContact CG2-CG1 4.17Å; V88-V130 HydrophobicContact CG1-CG1 4.35Å; V88-V130 HydrophobicContact CG2-CG1 3.84Å; V88-I134 HydrophobicContact CG1-CD1 3.68Å; V88-I134 HydrophobicContact CG1-CG1 3.28Å |
| 89 | D | 83.6 | Confident | 79.7 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 179.7 | -165 | 40.1 | 0 | 0 | 0 | 112.2 | E85 V86 T93 Q137 | E85-D89 WeakPolarHBondContact O-CB 3.4Å; E85-D89 PolarHBondContact O-N 3.41Å; V86-D89 PolarHBondContact O-N 3.41Å; D89-T93 WeakPolarHBondContact O-CB 3.31Å; D89-T93 PolarHBondContact O-N 3.05Å; D89-T93 PolarHBondContact O-OG1 3.35Å; D89-Q137 PolarHBondContact OD1-NE2 2.84Å |
| 90 | I | 82.6 | Confident | 79.6 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 175.9 | -66.6 | 167.9 | 0 | 0 | 0 | 110.8 | L54 V86 V88 C92 T93 N94 | L54-I90 HydrophobicContact CD1-CB 4.15Å; L54-I90 HydrophobicContact CD1-CD1 3.55Å; L54-I90 HydrophobicContact CD1-CG1 4.44Å; L54-I90 HydrophobicContact CD1-CG2 4.1Å; L54-I90 HydrophobicContact CD2-CG2 4.24Å; V86-I90 HydrophobicContact CG1-CD1 3.75Å; V86-I90 WeakPolarHBondContact O-CG1 3.37Å; V86-I90 PolarHBondContact O-N 3.23Å; V88-I90 VanDerWaalsContact C-N 3.34Å; V88-I90 PolarHBondContact O-N 3.25Å; I90-C92 PolarHBondContact O-N 2.79Å; I90-T93 PolarHBondContact O-N 3.3Å; I90-N94 WeakPolarHBondContact O-CB 3.2Å; I90-N94 PolarHBondContact O-N 3.31Å; I90-N94 PolarHBondContact O-ND2 3.45Å |
| 91 | L | 83.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.4 | -70.9 | 170.2 | 0 | 0 | 0 | 112.2 | L54 L57 L72 M87 V88 N94 M95 V113 | L54-L91 HydrophobicContact CD2-CD2 4.17Å; L54-L91 HydrophobicContact CD2-CG 4.21Å; L57-L91 HydrophobicContact CD2-CD2 3.96Å; L72-L91 HydrophobicContact CD1-CD1 4.22Å; L72-L91 HydrophobicContact CD1-CD2 4.41Å; M87-L91 HydrophobicContact CG-CD1 4.1Å; M87-L91 WeakPolarHBondContact O-CB 3.47Å; M87-L91 VanDerWaalsContact O-CG 3.22Å; M87-L91 WeakPolarHBondContact O-CG 3.48Å; M87-L91 PolarHBondContact O-N 3.05Å; V88-L91 PolarHBondContact O-N 3.26Å; L91-N94 PolarHBondContact O-N 3.38Å; L91-M95 PolarHBondContact O-N 3.5Å; L91-V113 HydrophobicContact CD1-CG2 4.32Å |
| 92 | C | 81.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -35.6 | 177.1 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | V88 I90 M95 | V88-C92 WeakPolarHBondContact O-CB 3.4Å; V88-C92 PolarHBondContact O-N 3.36Å; V88-C92 PolarHBondContact O-SG 3.47Å; V88-C92 VanDerWaalsContact O-SG 3.32Å; I90-C92 PolarHBondContact O-N 2.79Å; C92-M95 WeakPolarHBondContact O-CB 3.41Å; C92-M95 PolarHBondContact O-N 3.38Å |
| 93 | T | 83.3 | Confident | 79.9 | Confident | 76 Ų | 76 | 51.3 Ų | 51.3 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 173.1 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | D89 I90 M95 T96 | D89-T93 WeakPolarHBondContact O-CB 3.31Å; D89-T93 PolarHBondContact O-N 3.05Å; D89-T93 PolarHBondContact O-OG1 3.35Å; I90-T93 PolarHBondContact O-N 3.3Å; T93-M95 VanDerWaalsContact C-N 3.26Å; T93-M95 PolarHBondContact O-N 3.24Å; T93-T96 PolarHBondContact O-N 2.9Å; T93-T96 PolarHBondContact O-OG1 3.3Å |
| 94 | N | 82.7 | Confident | 79.9 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -26.5 | 178.7 | -72.9 | -9 | 0 | 0 | 0 | 113.1 | I90 L91 T96 S97 L102 S106 | I90-N94 WeakPolarHBondContact O-CB 3.2Å; I90-N94 PolarHBondContact O-N 3.31Å; I90-N94 PolarHBondContact O-ND2 3.45Å; L91-N94 PolarHBondContact O-N 3.38Å; N94-T96 PolarHBondContact O-N 2.97Å; N94-S97 WeakPolarHBondContact O-CB 3.31Å; N94-S97 PolarHBondContact O-N 3.49Å; N94-S97 VanDerWaalsContact O-N 3.11Å; N94-L102 HydrophobicContact CB-CD2 4.37Å; N94-L102 HydrophobicContact CB-CG 4.16Å; N94-S106 VanDerWaalsContact CB-OG 3.23Å; N94-S106 WeakPolarHBondContact CB-OG 3.17Å |
| 95 | M | 77.1 | Confident | 80.1 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.8 | -27.8 | 171.2 | -168 | -170 | 67.4 | 0 | 0 | 112.6 | L91 C92 T93 R103 L138 A141 V150 I157 | L91-M95 PolarHBondContact O-N 3.5Å; C92-M95 WeakPolarHBondContact O-CB 3.41Å; C92-M95 PolarHBondContact O-N 3.38Å; T93-M95 VanDerWaalsContact C-N 3.26Å; T93-M95 PolarHBondContact O-N 3.24Å; M95-R103 VanDerWaalsContact O-CD 3.31Å; M95-R103 WeakPolarHBondContact O-CD 3.29Å; M95-R103 WeakPolarHBondContact O-CG 3.48Å; M95-L138 HydrophobicContact CE-CD2 3.73Å; M95-L138 HydrophobicContact SD-CD2 4.05Å; M95-A141 HydrophobicContact CE-CB 4.27Å; M95-V150 HydrophobicContact CE-CG1 4.44Å; M95-I157 HydrophobicContact SD-CD1 3.67Å |
| 96 | T | 74.8 | Confident | 80.2 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 10.7 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | T93 N94 V150 | T93-T96 PolarHBondContact O-N 2.9Å; T93-T96 PolarHBondContact O-OG1 3.3Å; N94-T96 PolarHBondContact O-N 2.97Å; T96-V150 HydrophobicContact CG2-CG1 4.42Å |
| 97 | S | 78.9 | Confident | 80.3 | Confident | 31 Ų | 31 | 49 Ų | 49 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -73.1 | 152.8 | 179.5 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | N94 K99 R103 | N94-S97 WeakPolarHBondContact O-CB 3.31Å; N94-S97 PolarHBondContact O-N 3.49Å; N94-S97 VanDerWaalsContact O-N 3.11Å; S97-K99 PolarHBondContact O-N 2.95Å; S97-R103 VanDerWaalsContact O-CD 3.24Å; S97-R103 WeakPolarHBondContact O-CD 3.39Å; S97-R103 WeakPolarHBondContact O-CG 3.39Å; S97-R103 PolarHBondContact O-NH1 3.4Å; S97-R103 VanDerWaalsContact O-NH1 3.16Å |
| 98 | D | 70.6 | Confident | 80.3 | Confident | 156 Ų | 156 | 53.5 Ų | 53.5 | 83% | 0.834 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69.5 | -17 | 175.3 | -56.9 | -43 | 0 | 0 | 0 | 112.8 | ||
| 99 | K | 77.9 | Confident | 80.4 | Confident | 132 Ų | 132 | 53.4 Ų | 53.4 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | trans | -85.9 | 112.1 | 179.9 | -66.1 | 179.3 | -175.1 | 171.9 | 0 | 111.5 | S97 Q101 L102 R103 | S97-K99 PolarHBondContact O-N 2.95Å; K99-Q101 PolarHBondContact O-N 3.41Å; K99-L102 HydrophobicContact CB-CB 3.89Å; K99-L102 PolarHBondContact O-N 3.3Å; K99-L102 VanDerWaalsContact O-N 3.15Å; K99-R103 PolarHBondContact O-N 3.43Å; K99-R103 VanDerWaalsContact O-N 3.12Å | ||
| 100 | E | 75.4 | Confident | 80.4 | Confident | 133 Ų | 133 | 49.8 Ų | 49.8 | 62% | 0.621 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.6 | -50.5 | -178.7 | -172 | 173.8 | -168.2 | 0 | 0 | 113.9 | L102 R103 D104 | E100-L102 PolarHBondContact O-N 2.94Å; E100-R103 WeakPolarHBondContact O-CB 3.28Å; E100-R103 PolarHBondContact O-N 3.47Å; E100-D104 PolarHBondContact O-N 3.27Å; E100-D104 VanDerWaalsContact O-N 3.13Å |
| 101 | Q | 78.9 | Confident | 80.5 | Confident | 116 Ų | 116 | 49.7 Ų | 49.7 | 54% | 0.542 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.2 | -33.4 | 178.5 | -173 | -179.3 | -0.2 | 0 | 0 | 112.7 | K99 I105 | K99-Q101 PolarHBondContact O-N 3.41Å; Q101-I105 WeakPolarHBondContact O-CB 3.41Å; Q101-I105 WeakPolarHBondContact O-CG2 3.42Å; Q101-I105 PolarHBondContact O-N 2.96Å |
| 102 | L | 80.6 | Confident | 80.5 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.6 | -31.2 | 178.4 | -171.4 | 59.4 | 0 | 0 | 0 | 111.8 | E58 N94 K99 E100 I105 S106 | E58-L102 HydrophobicContact CG-CD1 3.74Å; E58-L102 HydrophobicContact CG-CD2 4.47Å; N94-L102 HydrophobicContact CB-CD2 4.37Å; N94-L102 HydrophobicContact CB-CG 4.16Å; K99-L102 HydrophobicContact CB-CB 3.89Å; K99-L102 PolarHBondContact O-N 3.3Å; K99-L102 VanDerWaalsContact O-N 3.15Å; E100-L102 PolarHBondContact O-N 2.94Å; L102-I105 HydrophobicContact CD1-CG2 4.15Å; L102-I105 WeakPolarHBondContact O-CG2 3.32Å; L102-S106 WeakPolarHBondContact O-CB 3.32Å; L102-S106 PolarHBondContact O-N 3.3Å; L102-S106 VanDerWaalsContact O-N 3.12Å; L102-S106 PolarHBondContact O-OG 3.25Å |
| 103 | R | 79.9 | Confident | 80.6 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 15% | 0.151 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.5 | -49.8 | 174.5 | -67.3 | -169.1 | -67 | -125.2 | 3.2 | 111.4 | M95 S97 K99 E100 I105 S106 S107 | M95-R103 VanDerWaalsContact O-CD 3.31Å; M95-R103 WeakPolarHBondContact O-CD 3.29Å; M95-R103 WeakPolarHBondContact O-CG 3.48Å; S97-R103 VanDerWaalsContact O-CD 3.24Å; S97-R103 WeakPolarHBondContact O-CD 3.39Å; S97-R103 WeakPolarHBondContact O-CG 3.39Å; S97-R103 PolarHBondContact O-NH1 3.4Å; S97-R103 VanDerWaalsContact O-NH1 3.16Å; K99-R103 PolarHBondContact O-N 3.43Å; K99-R103 VanDerWaalsContact O-N 3.12Å; E100-R103 WeakPolarHBondContact O-CB 3.28Å; E100-R103 PolarHBondContact O-N 3.47Å; R103-I105 PolarHBondContact O-N 2.85Å; R103-S106 PolarHBondContact O-N 3.48Å; R103-S107 WeakPolarHBondContact O-CB 3.36Å; R103-S107 PolarHBondContact O-N 3.01Å |
| 104 | D | 80.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 47 Ų | 47 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | -176.5 | -66.7 | -17.7 | 0 | 0 | 0 | 111.4 | E100 S106 S107 M108 | E100-D104 PolarHBondContact O-N 3.27Å; E100-D104 VanDerWaalsContact O-N 3.13Å; D104-S106 PolarHBondContact O-N 2.94Å; D104-S107 WeakPolarHBondContact O-CB 3.47Å; D104-S107 PolarHBondContact O-N 3.32Å; D104-M108 WeakPolarHBondContact O-CG 3.49Å; D104-M108 PolarHBondContact O-N 3.34Å |
| 105 | I | 84.1 | Confident | 80.3 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.6 | -34 | 179.9 | -154.4 | 175.7 | 0 | 0 | 0 | 112.5 | L57 Q65 V69 Q101 L102 R103 M108 G109 | L57-I105 HydrophobicContact CB-CD1 4.46Å; L57-I105 HydrophobicContact CB-CG2 4.31Å; L57-I105 HydrophobicContact CD2-CG1 4.18Å; L57-I105 HydrophobicContact CD2-CG2 4.07Å; Q65-I105 HydrophobicContact CB-CD1 3.29Å; Q65-I105 HydrophobicContact CG-CD1 3.39Å; V69-I105 HydrophobicContact CG2-CD1 4.18Å; V69-I105 HydrophobicContact CG2-CG1 3.56Å; Q101-I105 WeakPolarHBondContact O-CB 3.41Å; Q101-I105 WeakPolarHBondContact O-CG2 3.42Å; Q101-I105 PolarHBondContact O-N 2.96Å; L102-I105 HydrophobicContact CD1-CG2 4.15Å; L102-I105 WeakPolarHBondContact O-CG2 3.32Å; R103-I105 PolarHBondContact O-N 2.85Å; I105-M108 PolarHBondContact O-N 3.1Å; I105-G109 PolarHBondContact O-N 3.27Å |
| 106 | S | 82.6 | Confident | 80.4 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.1 | -34.6 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | N94 L102 R103 D104 G109 L110 | N94-S106 VanDerWaalsContact CB-OG 3.23Å; N94-S106 WeakPolarHBondContact CB-OG 3.17Å; L102-S106 WeakPolarHBondContact O-CB 3.32Å; L102-S106 PolarHBondContact O-N 3.3Å; L102-S106 VanDerWaalsContact O-N 3.12Å; L102-S106 PolarHBondContact O-OG 3.25Å; R103-S106 PolarHBondContact O-N 3.48Å; D104-S106 PolarHBondContact O-N 2.94Å; S106-G109 PolarHBondContact O-N 3.45Å; S106-L110 WeakPolarHBondContact O-CB 3.44Å; S106-L110 PolarHBondContact O-N 3.5Å |
| 107 | S | 82.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 170.3 | 179.8 | 0 | 0 | 0 | 0 | 111 | R103 D104 G109 L110 K111 E153 | R103-S107 WeakPolarHBondContact O-CB 3.36Å; R103-S107 PolarHBondContact O-N 3.01Å; D104-S107 WeakPolarHBondContact O-CB 3.47Å; D104-S107 PolarHBondContact O-N 3.32Å; S107-G109 VanDerWaalsContact C-N 3.34Å; S107-G109 PolarHBondContact O-N 3.04Å; S107-L110 PolarHBondContact O-N 3.45Å; S107-K111 WeakPolarHBondContact O-CG 3.38Å; S107-K111 PolarHBondContact O-N 2.94Å; S107-E153 WeakPolarHBondContact CB-OE2 3.25Å; S107-E153 PolarHBondContact OG-OE2 2.91Å |
| 108 | M | 83.1 | Confident | 79.9 | Confident | 97 Ų | 97 | 49.5 Ų | 49.5 | 48% | 0.478 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.5 | -70 | 179.8 | 64.9 | 0 | 0 | 112.5 | V69 D104 I105 K111 A112 | V69-M108 HydrophobicContact CG1-CB 4.15Å; D104-M108 WeakPolarHBondContact O-CG 3.49Å; D104-M108 PolarHBondContact O-N 3.34Å; I105-M108 PolarHBondContact O-N 3.1Å; M108-K111 PolarHBondContact O-N 3.16Å; M108-A112 WeakPolarHBondContact O-CB 3.2Å; M108-A112 PolarHBondContact O-N 3.03Å |
| 109 | G | 83.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I105 S106 S107 A112 V113 | I105-G109 PolarHBondContact O-N 3.27Å; S106-G109 PolarHBondContact O-N 3.45Å; S107-G109 VanDerWaalsContact C-N 3.34Å; S107-G109 PolarHBondContact O-N 3.04Å; G109-A112 PolarHBondContact O-N 3.43Å; G109-V113 VanDerWaalsContact O-CG2 3.32Å; G109-V113 WeakPolarHBondContact O-CG2 3.29Å; G109-V113 PolarHBondContact O-N 3.18Å |
| 110 | L | 84.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 179.6 | -167.8 | 58.8 | 0 | 0 | 0 | 111.7 | V88 S106 S107 V113 I114 I134 I157 | V88-L110 HydrophobicContact CG1-CD1 4.33Å; S106-L110 WeakPolarHBondContact O-CB 3.44Å; S106-L110 PolarHBondContact O-N 3.5Å; S107-L110 PolarHBondContact O-N 3.45Å; L110-V113 PolarHBondContact O-N 3.16Å; L110-I114 HydrophobicContact CG-CD1 4.16Å; L110-I114 WeakPolarHBondContact O-CD1 3.42Å; L110-I114 VanDerWaalsContact O-CG1 3.26Å; L110-I114 WeakPolarHBondContact O-CG1 3.49Å; L110-I114 PolarHBondContact O-N 3.3Å; L110-I134 HydrophobicContact CD1-CD1 3.87Å; L110-I134 HydrophobicContact CD1-CG1 4.3Å; L110-I134 HydrophobicContact CD2-CG2 4.39Å; L110-I157 HydrophobicContact CD2-CD1 3.89Å; L110-I157 HydrophobicContact CD2-CG2 3.83Å; L110-I157 HydrophobicContact CG-CG2 4.19Å |
| 111 | K | 85.2 | Confident | 77.4 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 22% | 0.222 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 172.6 | -71.8 | 179.8 | 179.2 | -179 | 0 | 112.4 | S107 M108 V113 I114 A115 D156 I157 D160 | S107-K111 WeakPolarHBondContact O-CG 3.38Å; S107-K111 PolarHBondContact O-N 2.94Å; M108-K111 PolarHBondContact O-N 3.16Å; K111-V113 VanDerWaalsContact C-N 3.31Å; K111-V113 PolarHBondContact O-N 3.35Å; K111-I114 PolarHBondContact O-N 3.21Å; K111-A115 VanDerWaalsContact O-CB 3.26Å; K111-A115 WeakPolarHBondContact O-CB 3.43Å; K111-A115 PolarHBondContact O-N 3.37Å; K111-D156 VanDerWaalsContact NZ-CG 3.27Å; K111-D156 IonicContact NZ-OD1 2.97Å; K111-D156 IonicContact NZ-OD2 3.28Å; K111-D156 PolarHBondContact NZ-OD2 2.89Å; K111-I157 HydrophobicContact CG-CG1 4.22Å; K111-D160 WeakPolarHBondContact CD-OD2 3.2Å; K111-D160 WeakPolarHBondContact CE-OD2 3.39Å; K111-D160 IonicContact NZ-OD2 2.77Å |
| 112 | A | 83.3 | Confident | 76.2 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V69 A73 M108 G109 A115 E116 | V69-A112 HydrophobicContact CG1-CB 4.28Å; A73-A112 HydrophobicContact CB-CB 4.43Å; M108-A112 WeakPolarHBondContact O-CB 3.2Å; M108-A112 PolarHBondContact O-N 3.03Å; G109-A112 PolarHBondContact O-N 3.43Å; A112-A115 PolarHBondContact O-N 3.21Å; A112-E116 PolarHBondContact O-N 3.05Å |
| 113 | V | 83.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 174.4 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | L72 V76 M87 V88 L91 G109 L110 K111 A115 E116 L117 | L72-V113 HydrophobicContact CB-CG2 4.18Å; V76-V113 HydrophobicContact CG2-CB 4.11Å; V76-V113 HydrophobicContact CG2-CG1 3.74Å; V76-V113 HydrophobicContact CG2-CG2 3.87Å; M87-V113 HydrophobicContact CE-CG1 4.13Å; M87-V113 HydrophobicContact CE-CG2 3.54Å; M87-V113 HydrophobicContact SD-CG2 4.45Å; V88-V113 HydrophobicContact CG2-CG1 4.17Å; L91-V113 HydrophobicContact CD1-CG2 4.32Å; G109-V113 VanDerWaalsContact O-CG2 3.32Å; G109-V113 WeakPolarHBondContact O-CG2 3.29Å; G109-V113 PolarHBondContact O-N 3.18Å; L110-V113 PolarHBondContact O-N 3.16Å; K111-V113 VanDerWaalsContact C-N 3.31Å; K111-V113 PolarHBondContact O-N 3.35Å; V113-A115 PolarHBondContact O-N 3.31Å; V113-E116 PolarHBondContact O-N 2.92Å; V113-E116 VanDerWaalsContact O-N 3.09Å; V113-L117 PolarHBondContact O-N 3.42Å |
| 114 | I | 81.2 | Confident | 74.3 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 176.9 | -68.1 | 162.9 | 0 | 0 | 0 | 110.9 | L110 K111 E116 I134 I157 M161 R164 L165 | L110-I114 HydrophobicContact CG-CD1 4.16Å; L110-I114 WeakPolarHBondContact O-CD1 3.42Å; L110-I114 VanDerWaalsContact O-CG1 3.26Å; L110-I114 WeakPolarHBondContact O-CG1 3.49Å; L110-I114 PolarHBondContact O-N 3.3Å; K111-I114 PolarHBondContact O-N 3.21Å; I114-E116 PolarHBondContact O-N 3.44Å; I114-I134 HydrophobicContact CG1-CD1 4.47Å; I114-I157 HydrophobicContact CD1-CG2 3.67Å; I114-M161 HydrophobicContact CD1-CB 4.3Å; I114-M161 HydrophobicContact CG2-CB 4.47Å; I114-R164 VanDerWaalsContact O-CD 3.28Å; I114-R164 WeakPolarHBondContact O-CD 3.44Å; I114-R164 PolarHBondContact O-NE 3.21Å; I114-L165 HydrophobicContact CG2-CD1 4.21Å |
| 115 | A | 79 | Confident | 73.5 | Confident | 47 Ų | 47 | 45 Ų | 45 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K111 A112 V113 R164 | K111-A115 VanDerWaalsContact O-CB 3.26Å; K111-A115 WeakPolarHBondContact O-CB 3.43Å; K111-A115 PolarHBondContact O-N 3.37Å; A112-A115 PolarHBondContact O-N 3.21Å; V113-A115 PolarHBondContact O-N 3.31Å; A115-R164 VanDerWaalsContact C-NH2 3.34Å; A115-R164 VanDerWaalsContact CA-NH1 3.27Å; A115-R164 PolarHBondContact O-NH1 3.38Å; A115-R164 PolarHBondContact O-NH2 2.89Å |
| 116 | E | 79.3 | Confident | 72.8 | Confident | 93 Ų | 93 | 45.3 Ų | 45.3 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -0.5 | 178.2 | -156.5 | 57.8 | -152.1 | 0 | 0 | 112.9 | A73 A112 V113 I114 | A73-E116 HydrophobicContact CB-CB 4.18Å; A73-E116 HydrophobicContact CB-CG 4.48Å; A73-E116 VanDerWaalsContact O-CG 3.27Å; A73-E116 WeakPolarHBondContact O-CG 3.43Å; A112-E116 PolarHBondContact O-N 3.05Å; V113-E116 PolarHBondContact O-N 2.92Å; V113-E116 VanDerWaalsContact O-N 3.09Å; I114-E116 PolarHBondContact O-N 3.44Å |
| 117 | L | 75 | Confident | 72.1 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | trans | -61.6 | 133.1 | 177.6 | -76.7 | 171.4 | 0 | 0 | 0 | 111.7 | V76 V113 V130 R164 L165 | V76-L117 HydrophobicContact CG1-CD2 3.82Å; V113-L117 PolarHBondContact O-N 3.42Å; L117-V130 HydrophobicContact CD1-CG1 4.29Å; L117-R164 PolarHBondContact O-NH2 3.42Å; L117-L165 HydrophobicContact CB-CD1 4.43Å; L117-L165 HydrophobicContact CD1-CD1 3.76Å | ||
| 118 | P | 67 | Low | 71.5 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 31% | 0.312 | 30% | 0.297 | S | S | . | . | trans | -72.5 | 135.7 | -177.9 | 27.1 | -32.7 | 0 | 0 | 0 | 112.1 | T127 | P118-T127 PolarHBondContact O-OG1 3.01Å; P118-T127 VanDerWaalsContact O-OG1 3.11Å | ||
| 119 | L | 62.7 | Low | 71 | Confident | 117 Ų | 117 | 44.7 Ų | 44.7 | 61% | 0.613 | 29% | 0.289 | S | S | * | . | trans | -91.9 | 2 | 175.4 | -65.8 | 169.1 | 0 | 0 | 0 | 113.1 | L165 | L119-L165 HydrophobicContact CD2-CD2 3.62Š| ||
| 120 | S | 57.7 | Low | 70.6 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -79.6 | 154.3 | -175.5 | 80.1 | 0 | 0 | 0 | 0 | 112.7 | S122 G123 L124 | S120-S122 PolarHBondContact O-N 3.04Å; S120-S122 VanDerWaalsContact O-N 3.07Å; S120-S122 PolarHBondContact OG-OG 3.08Å; S120-G123 PolarHBondContact O-N 3.46Å; S120-L124 PolarHBondContact O-N 2.92Å |
| 121 | A | 52.5 | Low | 70.1 | Confident | 98 Ų | 98 | 44.7 Ų | 44.7 | 81% | 0.81 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 122 | S | 52.2 | Low | 69.7 | Low | 110 Ų | 110 | 48.1 Ų | 48.1 | 77% | 0.769 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13.6 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | S120 | S120-S122 PolarHBondContact O-N 3.04Å; S120-S122 VanDerWaalsContact O-N 3.07Å; S120-S122 PolarHBondContact OG-OG 3.08Å |
| 123 | G | 58.2 | Low | 69.4 | Low | 10 Ų | 10 | 50.8 Ų | 50.8 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -0.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S120 S125 L126 T127 | S120-G123 PolarHBondContact O-N 3.46Å; G123-S125 VanDerWaalsContact C-N 3.28Å; G123-S125 PolarHBondContact O-N 2.93Å; G123-L126 PolarHBondContact O-N 3.25Å; G123-T127 WeakPolarHBondContact O-CB 3.35Å; G123-T127 PolarHBondContact O-N 3.23Å; G123-T127 PolarHBondContact O-OG1 2.98Å; G123-T127 VanDerWaalsContact O-OG1 3.09Å |
| 124 | L | 62.7 | Low | 69.2 | Low | 97 Ų | 97 | 50.8 Ų | 50.8 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -30.8 | -175.5 | -124.4 | 95.1 | 0 | 0 | 0 | 113.1 | S120 A128 | S120-L124 PolarHBondContact O-N 2.92Å; L124-A128 WeakPolarHBondContact O-CB 3.49Å; L124-A128 PolarHBondContact O-N 3.22Å |
| 125 | S | 64.8 | Low | 69.1 | Low | 76 Ų | 76 | 50.6 Ų | 50.6 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.4 | -48.2 | 176.9 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | E81 G123 A128 S129 | E81-S125 PolarHBondContact OE1-OG 3.16Å; G123-S125 VanDerWaalsContact C-N 3.28Å; G123-S125 PolarHBondContact O-N 2.93Å; S125-A128 PolarHBondContact O-N 3.39Å; S125-S129 PolarHBondContact O-N 3.49Å |
| 126 | L | 67.8 | Low | 69.2 | Low | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 175.7 | 175.9 | 57.1 | 0 | 0 | 0 | 110.6 | E81 V84 G123 A128 S129 V130 | E81-L126 HydrophobicContact CB-CD1 3.72Å; E81-L126 HydrophobicContact CG-CB 4.18Å; E81-L126 HydrophobicContact CG-CD1 3.77Å; E81-L126 HydrophobicContact CG-CD2 4.26Å; E81-L126 HydrophobicContact CG-CG 4.28Å; V84-L126 HydrophobicContact CB-CD1 4.4Å; G123-L126 PolarHBondContact O-N 3.25Å; L126-A128 VanDerWaalsContact C-N 3.3Å; L126-A128 PolarHBondContact O-N 3.47Å; L126-S129 PolarHBondContact O-N 3.34Å; L126-V130 HydrophobicContact CD1-CG2 3.86Å; L126-V130 WeakPolarHBondContact O-CB 3.37Å; L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 2.91Å |
| 127 | T | 69.1 | Low | 69.1 | Low | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 178.9 | -61 | 0 | 0 | 0 | 0 | 111.2 | P118 G123 C131 L165 | P118-T127 PolarHBondContact O-OG1 3.01Å; P118-T127 VanDerWaalsContact O-OG1 3.11Å; G123-T127 WeakPolarHBondContact O-CB 3.35Å; G123-T127 PolarHBondContact O-N 3.23Å; G123-T127 PolarHBondContact O-OG1 2.98Å; G123-T127 VanDerWaalsContact O-OG1 3.09Å; T127-C131 WeakPolarHBondContact O-CB 3.29Å; T127-C131 PolarHBondContact O-N 3Å; T127-C131 PolarHBondContact O-SG 3.45Å; T127-L165 HydrophobicContact CG2-CD1 4.11Å; T127-L165 HydrophobicContact CG2-CD2 3.59Å; T127-L165 HydrophobicContact CG2-CG 4.41Å |
| 128 | A | 69.6 | Low | 69.4 | Low | 40 Ų | 40 | 50.2 Ų | 50.2 | 33% | 0.331 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L124 S125 L126 K132 | L124-A128 WeakPolarHBondContact O-CB 3.49Å; L124-A128 PolarHBondContact O-N 3.22Å; S125-A128 PolarHBondContact O-N 3.39Å; L126-A128 VanDerWaalsContact C-N 3.3Å; L126-A128 PolarHBondContact O-N 3.47Å; A128-K132 WeakPolarHBondContact O-CB 3.43Å; A128-K132 PolarHBondContact O-N 3.27Å |
| 129 | S | 72.1 | Confident | 70 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 177.1 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | E85 S125 L126 K132 K133 | E85-S129 PolarHBondContact OE1-OG 3.41Å; S125-S129 PolarHBondContact O-N 3.49Å; L126-S129 PolarHBondContact O-N 3.34Å; S129-K132 PolarHBondContact O-N 3.36Å; S129-K133 PolarHBondContact O-N 3.24Å; S129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | V | 75 | Confident | 70.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -48.8 | 178.5 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | V84 E85 V88 L117 L126 K132 K133 I134 | V84-V130 HydrophobicContact CG1-CG2 4.01Å; E85-V130 HydrophobicContact CG-CG2 4.42Å; V88-V130 HydrophobicContact CG1-CG1 4.35Å; V88-V130 HydrophobicContact CG2-CG1 3.84Å; L117-V130 HydrophobicContact CD1-CG1 4.29Å; L126-V130 HydrophobicContact CD1-CG2 3.86Å; L126-V130 WeakPolarHBondContact O-CB 3.37Å; L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 2.91Å; V130-K132 VanDerWaalsContact C-N 3.32Å; V130-K132 PolarHBondContact O-N 3.44Å; V130-K133 PolarHBondContact O-N 3.36Å; V130-I134 HydrophobicContact CG1-CD1 3.66Å; V130-I134 HydrophobicContact CG1-CG1 4.45Å; V130-I134 VanDerWaalsContact O-CG1 3.32Å; V130-I134 WeakPolarHBondContact O-CG1 3.48Å; V130-I134 PolarHBondContact O-N 3.43Å |
| 131 | C | 74.8 | Confident | 71.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 177.4 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | T127 K133 I134 T135 M161 L165 L169 | T127-C131 WeakPolarHBondContact O-CB 3.29Å; T127-C131 PolarHBondContact O-N 3Å; T127-C131 PolarHBondContact O-SG 3.45Å; C131-K133 PolarHBondContact O-N 3.44Å; C131-I134 PolarHBondContact O-N 3.21Å; C131-T135 WeakPolarHBondContact O-CB 3.48Å; C131-T135 PolarHBondContact O-N 2.87Å; C131-T135 PolarHBondContact O-OG1 3.38Å; C131-M161 HydrophobicContact CB-SD 4.31Å; C131-L165 VanDerWaalsContact SG-CD1 3.51Å; C131-L169 HydrophobicContact CB-CD2 4.02Å |
| 132 | K | 76.4 | Confident | 72.3 | Confident | 123 Ų | 123 | 39 Ų | 39 | 54% | 0.535 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 177.8 | 172 | 163 | -179.5 | -175 | 0 | 111.9 | A128 S129 V130 S136 F172 | A128-K132 WeakPolarHBondContact O-CB 3.43Å; A128-K132 PolarHBondContact O-N 3.27Å; S129-K132 PolarHBondContact O-N 3.36Å; V130-K132 VanDerWaalsContact C-N 3.32Å; V130-K132 PolarHBondContact O-N 3.44Å; K132-S136 WeakPolarHBondContact O-CB 3.5Å; K132-S136 PolarHBondContact O-N 3.04Å; K132-S136 PolarHBondContact O-OG 2.93Å; K132-F172 HydrophobicContact CB-CE2 3.94Å; K132-F172 HydrophobicContact CB-CZ 4.27Å; K132-F172 HydrophobicContact CD-CE2 3.92Å; K132-F172 HydrophobicContact CD-CZ 3.82Å; K132-F172 HydrophobicContact CG-CE2 3.67Å; K132-F172 HydrophobicContact CG-CZ 3.52Å |
| 133 | K | 76.1 | Confident | 73.1 | Confident | 77 Ų | 77 | 36.6 Ų | 36.6 | 34% | 0.335 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 177.6 | -71.6 | -172.1 | -173 | -175.5 | 0 | 111.7 | E85 S129 V130 C131 T135 S136 Q137 | E85-K133 VanDerWaalsContact CD-NZ 3.26Å; E85-K133 IonicContact OE1-NZ 3.43Å; E85-K133 IonicContact OE2-NZ 2.77Å; E85-K133 PolarHBondContact OE2-NZ 3.17Å; S129-K133 PolarHBondContact O-N 3.24Å; S129-K133 VanDerWaalsContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 3.36Å; C131-K133 PolarHBondContact O-N 3.44Å; K133-T135 VanDerWaalsContact C-N 3.34Å; K133-T135 PolarHBondContact O-N 3.3Å; K133-S136 PolarHBondContact O-N 2.94Å; K133-S136 PolarHBondContact O-OG 2.83Å; K133-Q137 PolarHBondContact O-N 3.06Å; K133-Q137 VanDerWaalsContact O-N 3.1Å |
| 134 | I | 80 | Confident | 73.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.9 | -51.9 | 176.8 | -65.3 | 168.7 | 0 | 0 | 0 | 109.8 | V88 L110 I114 V130 C131 S136 Q137 L138 M161 | V88-I134 HydrophobicContact CG1-CD1 3.68Å; V88-I134 HydrophobicContact CG1-CG1 3.28Å; L110-I134 HydrophobicContact CD1-CD1 3.87Å; L110-I134 HydrophobicContact CD1-CG1 4.3Å; L110-I134 HydrophobicContact CD2-CG2 4.39Å; I114-I134 HydrophobicContact CG1-CD1 4.47Å; V130-I134 HydrophobicContact CG1-CD1 3.66Å; V130-I134 HydrophobicContact CG1-CG1 4.45Å; V130-I134 VanDerWaalsContact O-CG1 3.32Å; V130-I134 WeakPolarHBondContact O-CG1 3.48Å; V130-I134 PolarHBondContact O-N 3.43Å; C131-I134 PolarHBondContact O-N 3.21Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.34Å; I134-Q137 PolarHBondContact O-N 2.93Å; I134-L138 HydrophobicContact CG2-CD1 3.57Å; I134-L138 HydrophobicContact CG2-CG 3.91Å; I134-L138 WeakPolarHBondContact O-CB 3.45Å; I134-L138 VanDerWaalsContact O-CG 3.25Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.47Å; I134-M161 HydrophobicContact CB-SD 4.3Å; I134-M161 HydrophobicContact CG2-SD 3.96Å |
| 135 | T | 79.9 | Confident | 73.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | -178.5 | -54 | 0 | 0 | 0 | 0 | 112.1 | C131 K133 L138 I139 M161 L169 F172 L176 | C131-T135 WeakPolarHBondContact O-CB 3.48Å; C131-T135 PolarHBondContact O-N 2.87Å; C131-T135 PolarHBondContact O-OG1 3.38Å; K133-T135 VanDerWaalsContact C-N 3.34Å; K133-T135 PolarHBondContact O-N 3.3Å; T135-L138 PolarHBondContact O-N 3.39Å; T135-I139 HydrophobicContact CG2-CD1 3.89Å; T135-I139 HydrophobicContact CG2-CG1 4.44Å; T135-I139 WeakPolarHBondContact O-CB 3.31Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.35Å; T135-I139 PolarHBondContact O-N 3.07Å; T135-M161 WeakPolarHBondContact OG1-CE 3.37Å; T135-L169 HydrophobicContact CG2-CD2 4.31Å; T135-L169 WeakPolarHBondContact OG1-CD2 3.49Å; T135-F172 HydrophobicContact CG2-CB 3.96Å; T135-F172 HydrophobicContact CG2-CD1 4.25Å; T135-F172 HydrophobicContact CG2-CG 4.09Å; T135-L176 HydrophobicContact CG2-CD1 4.05Å; T135-L176 HydrophobicContact CG2-CD2 3.86Å; T135-L176 HydrophobicContact CG2-CG 4.06Å |
| 136 | S | 80.5 | Confident | 73.2 | Confident | 64 Ų | 64 | 50.7 Ų | 50.7 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 179.2 | 69 | 0 | 0 | 0 | 0 | 113 | K132 K133 I134 G140 | K132-S136 WeakPolarHBondContact O-CB 3.5Å; K132-S136 PolarHBondContact O-N 3.04Å; K132-S136 PolarHBondContact O-OG 2.93Å; K133-S136 PolarHBondContact O-N 2.94Å; K133-S136 PolarHBondContact O-OG 2.83Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.34Å; S136-G140 PolarHBondContact O-N 3.25Å; S136-G140 VanDerWaalsContact O-N 3.12Å |
| 137 | Q | 77.8 | Confident | 73.4 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.3 | -37.8 | 177.8 | -72.9 | 177.6 | -17.6 | 0 | 0 | 111.7 | D89 K133 I134 G140 A141 | D89-Q137 PolarHBondContact OD1-NE2 2.84Å; K133-Q137 PolarHBondContact O-N 3.06Å; K133-Q137 VanDerWaalsContact O-N 3.1Å; I134-Q137 PolarHBondContact O-N 2.93Å; Q137-G140 PolarHBondContact O-N 2.98Å; Q137-A141 WeakPolarHBondContact O-CB 3.44Å; Q137-A141 PolarHBondContact O-N 3.47Å |
| 138 | L | 79.6 | Confident | 73.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 173.7 | -67.3 | -177.9 | 0 | 0 | 0 | 111.8 | M95 I134 T135 G140 A141 L142 A154 I157 L158 M161 | M95-L138 HydrophobicContact CE-CD2 3.73Å; M95-L138 HydrophobicContact SD-CD2 4.05Å; I134-L138 HydrophobicContact CG2-CD1 3.57Å; I134-L138 HydrophobicContact CG2-CG 3.91Å; I134-L138 WeakPolarHBondContact O-CB 3.45Å; I134-L138 VanDerWaalsContact O-CG 3.25Å; I134-L138 WeakPolarHBondContact O-CG 3.44Å; I134-L138 PolarHBondContact O-N 3.47Å; T135-L138 PolarHBondContact O-N 3.39Å; L138-G140 VanDerWaalsContact C-N 3.31Å; L138-G140 PolarHBondContact O-N 3.38Å; L138-A141 PolarHBondContact O-N 3.26Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.41Å; L138-L142 PolarHBondContact O-N 3.35Å; L138-A154 HydrophobicContact CD2-CB 3.9Å; L138-I157 HydrophobicContact CD1-CB 4.4Å; L138-I157 HydrophobicContact CD1-CG2 3.94Å; L138-L158 HydrophobicContact CD1-CB 4.28Å; L138-M161 HydrophobicContact CD1-CE 4.41Å |
| 139 | I | 79.6 | Confident | 74.1 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 173.5 | -70.8 | 167.6 | 0 | 0 | 0 | 110.7 | T135 A141 L142 G143 L176 | T135-I139 HydrophobicContact CG2-CD1 3.89Å; T135-I139 HydrophobicContact CG2-CG1 4.44Å; T135-I139 WeakPolarHBondContact O-CB 3.31Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.35Å; T135-I139 PolarHBondContact O-N 3.07Å; I139-A141 VanDerWaalsContact C-N 3.33Å; I139-A141 PolarHBondContact O-N 3.08Å; I139-L142 PolarHBondContact O-N 2.77Å; I139-G143 PolarHBondContact O-N 3.1Å; I139-G143 VanDerWaalsContact O-N 3.15Å; I139-L176 HydrophobicContact CD1-CD2 3.88Å; I139-L176 HydrophobicContact CD1-CG 4.31Å; I139-L176 HydrophobicContact CG1-CD2 3.78Å |
| 140 | G | 77.3 | Confident | 74.4 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S136 Q137 L138 G143 | S136-G140 PolarHBondContact O-N 3.25Å; S136-G140 VanDerWaalsContact O-N 3.12Å; Q137-G140 PolarHBondContact O-N 2.98Å; L138-G140 VanDerWaalsContact C-N 3.31Å; L138-G140 PolarHBondContact O-N 3.38Å; G140-G143 PolarHBondContact O-N 2.96Å |
| 141 | A | 73.2 | Confident | 74.7 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.2 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M95 Q137 L138 I139 G143 K144 V150 A154 | M95-A141 HydrophobicContact CE-CB 4.27Å; Q137-A141 WeakPolarHBondContact O-CB 3.44Å; Q137-A141 PolarHBondContact O-N 3.47Å; L138-A141 PolarHBondContact O-N 3.26Å; I139-A141 VanDerWaalsContact C-N 3.33Å; I139-A141 PolarHBondContact O-N 3.08Å; A141-G143 VanDerWaalsContact C-N 3.3Å; A141-G143 PolarHBondContact O-N 3.49Å; A141-K144 PolarHBondContact O-N 3.23Å; A141-V150 HydrophobicContact CB-CG1 4.11Å; A141-A154 HydrophobicContact CB-CB 4.49Å |
| 142 | L | 72.2 | Confident | 75 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 174.7 | -68.5 | 170.2 | 0 | 0 | 0 | 112.2 | L138 I139 K144 A154 L155 L158 | L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.41Å; L138-L142 PolarHBondContact O-N 3.35Å; I139-L142 PolarHBondContact O-N 2.77Å; L142-K144 VanDerWaalsContact C-N 3.26Å; L142-K144 PolarHBondContact O-N 3.26Å; L142-A154 HydrophobicContact CD2-CB 4.29Å; L142-L155 HydrophobicContact CD2-CD2 3.81Å; L142-L155 HydrophobicContact CD2-CG 3.84Å; L142-L158 HydrophobicContact CD1-CD2 4.34Å |
| 143 | G | 67.6 | Low | 75.2 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -16.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | I139 G140 A141 Q145 | I139-G143 PolarHBondContact O-N 3.1Å; I139-G143 VanDerWaalsContact O-N 3.15Å; G140-G143 PolarHBondContact O-N 2.96Å; A141-G143 VanDerWaalsContact C-N 3.3Å; A141-G143 PolarHBondContact O-N 3.49Å; G143-Q145 PolarHBondContact O-N 3.4Å |
| 144 | K | 67.6 | Low | 75.6 | Confident | 153 Ų | 153 | 47.9 Ų | 47.9 | 67% | 0.665 | 27% | 0.269 | S | S | * | . | trans | -93.2 | 93.5 | 176.6 | -66.7 | -179.5 | -178.7 | -179.5 | 0 | 109.5 | A141 L142 E146 | A141-K144 PolarHBondContact O-N 3.23Å; L142-K144 VanDerWaalsContact C-N 3.26Å; L142-K144 PolarHBondContact O-N 3.26Å; K144-E146 VanDerWaalsContact C-N 3.25Å; K144-E146 PolarHBondContact O-N 3.41Å | ||
| 145 | Q | 59.2 | Low | 75.7 | Confident | 139 Ų | 139 | 47.9 Ų | 47.9 | 65% | 0.65 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -2.8 | -170.7 | -68.4 | -176.2 | -23.8 | 0 | 0 | 116.1 | G143 | G143-Q145 PolarHBondContact O-N 3.4Š|
| 146 | E | 61.8 | Low | 76 | Confident | 187 Ų | 187 | 49.8 Ų | 49.8 | 87% | 0.874 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -27.5 | -173 | -62.3 | -171.5 | 164.5 | 0 | 0 | 113.5 | K144 | K144-E146 VanDerWaalsContact C-N 3.25Å; K144-E146 PolarHBondContact O-N 3.41Å |
| 147 | D | 72.1 | Confident | 76.2 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | trans | -108.8 | 91 | -176.3 | -75.5 | -42.8 | 0 | 0 | 0 | 113.4 | S149 V150 Q151 | D147-S149 VanDerWaalsContact C-N 3.33Å; D147-S149 PolarHBondContact O-N 2.93Å; D147-V150 HydrophobicContact CB-CB 4.19Å; D147-V150 HydrophobicContact CB-CG2 3.98Å; D147-V150 PolarHBondContact O-N 3.11Å; D147-Q151 PolarHBondContact O-N 3.32Å | ||
| 148 | V | 77.1 | Confident | 76.5 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -33.7 | -177.3 | 174.4 | 0 | 0 | 0 | 0 | 113.5 | V150 Q151 L152 R188 V191 | V148-V150 VanDerWaalsContact C-N 3.3Å; V148-V150 PolarHBondContact O-N 3.25Å; V148-Q151 PolarHBondContact O-N 3.05Å; V148-L152 HydrophobicContact CG1-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CG 4.16Å; V148-L152 WeakPolarHBondContact O-CG 3.5Å; V148-L152 PolarHBondContact O-N 2.82Å; V148-R188 VanDerWaalsContact CB-NH1 3.27Å; V148-R188 VanDerWaalsContact CG1-CD 3.46Å; V148-V191 HydrophobicContact CG1-CG2 3.82Å |
| 149 | S | 75.6 | Confident | 76.6 | Confident | 52 Ų | 52 | 44.3 Ų | 44.3 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.5 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | D147 L152 E153 | D147-S149 VanDerWaalsContact C-N 3.33Å; D147-S149 PolarHBondContact O-N 2.93Å; S149-L152 PolarHBondContact O-N 3.11Å; S149-E153 PolarHBondContact O-N 2.94Å; S149-E153 VanDerWaalsContact O-N 3.16Å |
| 150 | V | 79.8 | Confident | 76.8 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.073 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | M95 T96 A141 D147 V148 L152 E153 A154 | M95-V150 HydrophobicContact CE-CG1 4.44Å; T96-V150 HydrophobicContact CG2-CG1 4.42Å; A141-V150 HydrophobicContact CB-CG1 4.11Å; D147-V150 HydrophobicContact CB-CB 4.19Å; D147-V150 HydrophobicContact CB-CG2 3.98Å; D147-V150 PolarHBondContact O-N 3.11Å; V148-V150 VanDerWaalsContact C-N 3.3Å; V148-V150 PolarHBondContact O-N 3.25Å; V150-L152 PolarHBondContact O-N 3.04Å; V150-E153 PolarHBondContact O-N 3.28Å; V150-A154 WeakPolarHBondContact O-CB 3.35Å; V150-A154 PolarHBondContact O-N 2.94Å |
| 151 | Q | 79.6 | Confident | 77 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.5 | -67.1 | -174.6 | -35.7 | 0 | 0 | 112.2 | D147 V148 A154 L155 N186 | D147-Q151 PolarHBondContact O-N 3.32Å; V148-Q151 PolarHBondContact O-N 3.05Å; Q151-A154 PolarHBondContact O-N 3.4Å; Q151-L155 WeakPolarHBondContact O-CB 3.44Å; Q151-L155 WeakPolarHBondContact O-CG 3.24Å; Q151-L155 PolarHBondContact O-N 3.31Å; Q151-N186 PolarHBondContact OE1-ND2 3.27Å |
| 152 | L | 81.6 | Confident | 77.3 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 179.8 | -75.5 | 175.7 | 0 | 0 | 0 | 111.4 | V148 S149 V150 L155 D156 A190 V191 R194 | V148-L152 HydrophobicContact CG1-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CG 4.16Å; V148-L152 WeakPolarHBondContact O-CG 3.5Å; V148-L152 PolarHBondContact O-N 2.82Å; S149-L152 PolarHBondContact O-N 3.11Å; V150-L152 PolarHBondContact O-N 3.04Å; L152-L155 PolarHBondContact O-N 3.07Å; L152-D156 PolarHBondContact O-N 3.16Å; L152-D156 VanDerWaalsContact O-N 3.15Å; L152-A190 HydrophobicContact CD1-CB 4.46Å; L152-A190 HydrophobicContact CD2-CB 3.92Å; L152-V191 HydrophobicContact CD2-CB 4.44Å; L152-V191 HydrophobicContact CD2-CG2 3.84Å; L152-V191 HydrophobicContact CG-CG2 4.2Å; L152-R194 HydrophobicContact CD2-CG 4.29Å; L152-R194 VanDerWaalsContact O-CD 3.31Å; L152-R194 WeakPolarHBondContact O-CD 3.38Å; L152-R194 PolarHBondContact O-NH1 3.11Å |
| 153 | E | 81.3 | Confident | 77.7 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 178.5 | -68.1 | -52.3 | 112.8 | 0 | 0 | 112.1 | S107 S149 V150 L155 D156 I157 R194 | S107-E153 WeakPolarHBondContact CB-OE2 3.25Å; S107-E153 PolarHBondContact OG-OE2 2.91Å; S149-E153 PolarHBondContact O-N 2.94Å; S149-E153 VanDerWaalsContact O-N 3.16Å; V150-E153 PolarHBondContact O-N 3.28Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.44Å; E153-D156 PolarHBondContact O-N 2.86Å; E153-I157 VanDerWaalsContact O-CG1 3.27Å; E153-I157 WeakPolarHBondContact O-CG1 3.48Å; E153-I157 PolarHBondContact O-N 3.49Å; E153-R194 IonicContact OE1-CZ 2.81Å; E153-R194 IonicContact OE1-NH1 2.99Å; E153-R194 PolarHBondContact OE1-NH1 3.12Å; E153-R194 IonicContact OE1-NH2 3.07Å |
| 154 | A | 83.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L138 A141 L142 V150 Q151 D156 L158 | L138-A154 HydrophobicContact CD2-CB 3.9Å; A141-A154 HydrophobicContact CB-CB 4.49Å; L142-A154 HydrophobicContact CD2-CB 4.29Å; V150-A154 WeakPolarHBondContact O-CB 3.35Å; V150-A154 PolarHBondContact O-N 2.94Å; Q151-A154 PolarHBondContact O-N 3.4Å; A154-D156 VanDerWaalsContact C-N 3.34Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 PolarHBondContact O-N 2.92Å |
| 155 | L | 83.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -35.7 | 176.6 | -73.8 | 170.9 | 0 | 0 | 0 | 112.6 | L142 Q151 L152 E153 S159 L180 V191 R194 S195 | L142-L155 HydrophobicContact CD2-CD2 3.81Å; L142-L155 HydrophobicContact CD2-CG 3.84Å; Q151-L155 WeakPolarHBondContact O-CB 3.44Å; Q151-L155 WeakPolarHBondContact O-CG 3.24Å; Q151-L155 PolarHBondContact O-N 3.31Å; L152-L155 PolarHBondContact O-N 3.07Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.44Å; L155-S159 WeakPolarHBondContact O-CB 3.43Å; L155-S159 PolarHBondContact O-N 3.25Å; L155-L180 HydrophobicContact CD2-CD2 3.44Å; L155-L180 VanDerWaalsContact CD2-CD2 3.44Å; L155-V191 HydrophobicContact CD1-CG1 3.71Å; L155-R194 HydrophobicContact CB-CB 3.84Å; L155-R194 HydrophobicContact CD1-CB 3.99Å; L155-S195 VanDerWaalsContact CD1-OG 3.27Å; L155-S195 WeakPolarHBondContact CD1-OG 3.19Å |
| 156 | D | 84.7 | Confident | 78.8 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.7 | -46.8 | -180 | -154.3 | 17.6 | 0 | 0 | 0 | 110.9 | K111 L152 E153 A154 L158 S159 D160 R194 | K111-D156 VanDerWaalsContact NZ-CG 3.27Å; K111-D156 IonicContact NZ-OD1 2.97Å; K111-D156 IonicContact NZ-OD2 3.28Å; K111-D156 PolarHBondContact NZ-OD2 2.89Å; L152-D156 PolarHBondContact O-N 3.16Å; L152-D156 VanDerWaalsContact O-N 3.15Å; E153-D156 PolarHBondContact O-N 2.86Å; A154-D156 VanDerWaalsContact C-N 3.34Å; D156-L158 VanDerWaalsContact C-N 3.3Å; D156-L158 PolarHBondContact O-N 3.44Å; D156-S159 WeakPolarHBondContact O-CB 3.4Å; D156-S159 PolarHBondContact O-N 2.99Å; D156-S159 VanDerWaalsContact O-N 3.17Å; D156-D160 PolarHBondContact O-N 3.08Å; D156-R194 IonicContact OD2-NH1 2.81Å |
| 157 | I | 84.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 173.7 | -63.3 | 166.2 | 0 | 0 | 0 | 110.8 | M95 L110 K111 I114 L138 E153 S159 D160 M161 | M95-I157 HydrophobicContact SD-CD1 3.67Å; L110-I157 HydrophobicContact CD2-CD1 3.89Å; L110-I157 HydrophobicContact CD2-CG2 3.83Å; L110-I157 HydrophobicContact CG-CG2 4.19Å; K111-I157 HydrophobicContact CG-CG1 4.22Å; I114-I157 HydrophobicContact CD1-CG2 3.67Å; L138-I157 HydrophobicContact CD1-CB 4.4Å; L138-I157 HydrophobicContact CD1-CG2 3.94Å; E153-I157 VanDerWaalsContact O-CG1 3.27Å; E153-I157 WeakPolarHBondContact O-CG1 3.48Å; E153-I157 PolarHBondContact O-N 3.49Å; I157-S159 VanDerWaalsContact C-N 3.35Å; I157-D160 PolarHBondContact O-N 3.2Å; I157-M161 VanDerWaalsContact O-CB 3.26Å; I157-M161 WeakPolarHBondContact O-CB 3.47Å; I157-M161 PolarHBondContact O-N 3.3Å |
| 158 | L | 84.1 | Confident | 79 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.7 | -178.7 | 65.4 | 0 | 0 | 0 | 111.7 | L138 L142 A154 D156 M161 L162 L176 L180 A198 | L138-L158 HydrophobicContact CD1-CB 4.28Å; L142-L158 HydrophobicContact CD1-CD2 4.34Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 PolarHBondContact O-N 2.92Å; D156-L158 VanDerWaalsContact C-N 3.3Å; D156-L158 PolarHBondContact O-N 3.44Å; L158-M161 HydrophobicContact CD1-CE 3.77Å; L158-M161 PolarHBondContact O-N 3.32Å; L158-L162 HydrophobicContact CD1-CD1 4.06Å; L158-L162 HydrophobicContact CD1-CG 4.21Å; L158-L162 HydrophobicContact CG-CD1 3.87Å; L158-L162 HydrophobicContact CG-CG 4.42Å; L158-L162 VanDerWaalsContact O-CB 3.31Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.22Å; L158-L162 PolarHBondContact O-N 3.46Å; L158-L176 HydrophobicContact CD1-CD1 4.09Å; L158-L176 HydrophobicContact CD1-CD2 3.61Å; L158-L176 HydrophobicContact CD2-CD2 3.96Å; L158-L176 HydrophobicContact CG-CD2 4.43Å; L158-L180 HydrophobicContact CD2-CD1 4.16Å; L158-L180 HydrophobicContact CD2-CD2 3.98Å; L158-L180 HydrophobicContact CD2-CG 4.32Å; L158-A198 HydrophobicContact CD2-CB 4.44Å |
| 159 | S | 82.8 | Confident | 78.7 | Confident | 16 Ų | 16 | 24.8 Ų | 24.8 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 176.1 | 179 | 0 | 0 | 0 | 0 | 111.5 | L155 D156 I157 M161 L162 G163 | L155-S159 WeakPolarHBondContact O-CB 3.43Å; L155-S159 PolarHBondContact O-N 3.25Å; D156-S159 WeakPolarHBondContact O-CB 3.4Å; D156-S159 PolarHBondContact O-N 2.99Å; D156-S159 VanDerWaalsContact O-N 3.17Å; I157-S159 VanDerWaalsContact C-N 3.35Å; S159-M161 PolarHBondContact O-N 3.46Å; S159-L162 PolarHBondContact O-N 2.94Å; S159-G163 PolarHBondContact O-N 3.31Å |
| 160 | D | 82.4 | Confident | 78.6 | Confident | 68 Ų | 68 | 26.4 Ų | 26.4 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.4 | -73 | -20.2 | 0 | 0 | 0 | 111.8 | K111 D156 I157 G163 R164 | K111-D160 WeakPolarHBondContact CD-OD2 3.2Å; K111-D160 WeakPolarHBondContact CE-OD2 3.39Å; K111-D160 IonicContact NZ-OD2 2.77Å; D156-D160 PolarHBondContact O-N 3.08Å; I157-D160 PolarHBondContact O-N 3.2Å; D160-G163 PolarHBondContact O-N 2.78Å; D160-R164 PolarHBondContact O-N 3.19Å |
| 161 | M | 82.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -43.5 | 178.3 | -168.9 | -178.5 | 57.7 | 0 | 0 | 111.8 | I114 C131 I134 T135 L138 I157 L158 S159 L165 L169 | I114-M161 HydrophobicContact CD1-CB 4.3Å; I114-M161 HydrophobicContact CG2-CB 4.47Å; C131-M161 HydrophobicContact CB-SD 4.31Å; I134-M161 HydrophobicContact CB-SD 4.3Å; I134-M161 HydrophobicContact CG2-SD 3.96Å; T135-M161 WeakPolarHBondContact OG1-CE 3.37Å; L138-M161 HydrophobicContact CD1-CE 4.41Å; I157-M161 VanDerWaalsContact O-CB 3.26Å; I157-M161 WeakPolarHBondContact O-CB 3.47Å; I157-M161 PolarHBondContact O-N 3.3Å; L158-M161 HydrophobicContact CD1-CE 3.77Å; L158-M161 PolarHBondContact O-N 3.32Å; S159-M161 PolarHBondContact O-N 3.46Å; M161-L165 HydrophobicContact CG-CD1 4.45Å; M161-L165 WeakPolarHBondContact O-CA 3.36Å; M161-L165 WeakPolarHBondContact O-CB 3.42Å; M161-L165 PolarHBondContact O-N 3.41Å; M161-L169 HydrophobicContact CE-CD1 3.92Å; M161-L169 HydrophobicContact CE-CD2 4.12Å; M161-L169 HydrophobicContact CG-CD1 4.03Å; M161-L169 HydrophobicContact SD-CD1 4.33Å |
| 162 | L | 80.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.8 | -76.8 | 169.1 | 0 | 0 | 0 | 112 | L158 S159 R164 G166 L169 L176 Q201 L202 | L158-L162 HydrophobicContact CD1-CD1 4.06Å; L158-L162 HydrophobicContact CD1-CG 4.21Å; L158-L162 HydrophobicContact CG-CD1 3.87Å; L158-L162 HydrophobicContact CG-CG 4.42Å; L158-L162 VanDerWaalsContact O-CB 3.31Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 VanDerWaalsContact O-CG 3.27Å; L158-L162 WeakPolarHBondContact O-CG 3.22Å; L158-L162 PolarHBondContact O-N 3.46Å; S159-L162 PolarHBondContact O-N 2.94Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.22Å; L162-G166 WeakPolarHBondContact O-CA 3.26Å; L162-G166 PolarHBondContact O-N 2.86Å; L162-G166 VanDerWaalsContact O-N 3.17Å; L162-L169 HydrophobicContact CD2-CD1 3.89Å; L162-L169 HydrophobicContact CG-CD1 4.5Å; L162-L176 HydrophobicContact CD2-CD1 4.07Å; L162-Q201 HydrophobicContact CB-CB 3.83Å; L162-L202 HydrophobicContact CD1-CB 4.02Å; L162-L202 HydrophobicContact CD2-CD1 3.92Å |
| 163 | G | 79.4 | Confident | 78.1 | Confident | 46 Ų | 46 | 30 Ų | 30 | 47% | 0.474 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64 | -33.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S159 D160 | S159-G163 PolarHBondContact O-N 3.31Å; D160-G163 PolarHBondContact O-N 2.78Å |
| 164 | R | 77 | Confident | 78.1 | Confident | 97 Ų | 97 | 31.1 Ų | 31.1 | 37% | 0.366 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -97.5 | -40.4 | -179.5 | -172.9 | -171.4 | 174.9 | 126.5 | -15.2 | 114.1 | I114 A115 L117 D160 L162 | I114-R164 VanDerWaalsContact O-CD 3.28Å; I114-R164 WeakPolarHBondContact O-CD 3.44Å; I114-R164 PolarHBondContact O-NE 3.21Å; A115-R164 VanDerWaalsContact C-NH2 3.34Å; A115-R164 VanDerWaalsContact CA-NH1 3.27Å; A115-R164 PolarHBondContact O-NH1 3.38Å; A115-R164 PolarHBondContact O-NH2 2.89Å; L117-R164 PolarHBondContact O-NH2 3.42Å; D160-R164 PolarHBondContact O-N 3.19Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.22Å |
| 165 | L | 73.3 | Confident | 78 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -119.2 | 19.1 | -165.5 | -61.5 | 169.6 | 0 | 0 | 0 | 112.8 | I114 L117 L119 T127 C131 M161 G167 A168 | I114-L165 HydrophobicContact CG2-CD1 4.21Å; L117-L165 HydrophobicContact CB-CD1 4.43Å; L117-L165 HydrophobicContact CD1-CD1 3.76Å; L119-L165 HydrophobicContact CD2-CD2 3.62Å; T127-L165 HydrophobicContact CG2-CD1 4.11Å; T127-L165 HydrophobicContact CG2-CD2 3.59Å; T127-L165 HydrophobicContact CG2-CG 4.41Å; C131-L165 VanDerWaalsContact SG-CD1 3.51Å; M161-L165 HydrophobicContact CG-CD1 4.45Å; M161-L165 WeakPolarHBondContact O-CA 3.36Å; M161-L165 WeakPolarHBondContact O-CB 3.42Å; M161-L165 PolarHBondContact O-N 3.41Å; L165-G167 PolarHBondContact O-N 3.23Å; L165-A168 PolarHBondContact O-N 2.9Å |
| 166 | G | 66.6 | Low | 77.9 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L162 L169 H173 | L162-G166 WeakPolarHBondContact O-CA 3.26Å; L162-G166 PolarHBondContact O-N 2.86Å; L162-G166 VanDerWaalsContact O-N 3.17Å; G166-L169 PolarHBondContact O-N 3.24Å; G166-H173 PolarHBondContact O-CE1 2.86Å; G166-H173 PolarHBondContact O-NE2 3.24Å |
| 167 | G | 70.2 | Confident | 77.8 | Confident | 65 Ų | 65 | 31.7 Ų | 31.7 | 67% | 0.67 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L165 L169 V170 | L165-G167 PolarHBondContact O-N 3.23Å; G167-L169 VanDerWaalsContact C-N 3.32Å; G167-V170 WeakPolarHBondContact O-CG2 3.5Å |
| 168 | A | 68.3 | Low | 77.7 | Confident | 40 Ų | 40 | 35.2 Ų | 35.2 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -16.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L165 | L165-A168 PolarHBondContact O-N 2.9Š|
| 169 | L | 72 | Confident | 77.6 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 6.9 | -171.5 | -71 | 163 | 0 | 0 | 0 | 114.3 | C131 T135 M161 L162 G166 G167 G171 F172 H173 | C131-L169 HydrophobicContact CB-CD2 4.02Å; T135-L169 HydrophobicContact CG2-CD2 4.31Å; T135-L169 WeakPolarHBondContact OG1-CD2 3.49Å; M161-L169 HydrophobicContact CE-CD1 3.92Å; M161-L169 HydrophobicContact CE-CD2 4.12Å; M161-L169 HydrophobicContact CG-CD1 4.03Å; M161-L169 HydrophobicContact SD-CD1 4.33Å; L162-L169 HydrophobicContact CD2-CD1 3.89Å; L162-L169 HydrophobicContact CG-CD1 4.5Å; G166-L169 PolarHBondContact O-N 3.24Å; G167-L169 VanDerWaalsContact C-N 3.32Å; L169-G171 PolarHBondContact O-N 3.39Å; L169-G171 VanDerWaalsContact O-N 3.1Å; L169-F172 WeakPolarHBondContact O-CA 3.46Å; L169-F172 PolarHBondContact O-N 3.19Å; L169-H173 VanDerWaalsContact C-CD2 3.41Å; L169-H173 PolarHBondContact O-CD2 3.49Å; L169-H173 PolarHBondContact O-N 3.36Å; L169-H173 PolarHBondContact O-NE2 3.5Å |
| 170 | V | 73 | Confident | 77.5 | Confident | 86 Ų | 86 | 35.9 Ų | 35.9 | 52% | 0.521 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -52.9 | -39.1 | -172.5 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | G167 F172 H173 | G167-V170 WeakPolarHBondContact O-CG2 3.5Å; V170-F172 PolarHBondContact O-N 3.34Å; V170-H173 PolarHBondContact O-N 2.89Å |
| 171 | G | 73.8 | Confident | 77.5 | Confident | 66 Ų | 66 | 33.8 Ų | 33.8 | 68% | 0.68 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -67.6 | -16.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L169 | L169-G171 PolarHBondContact O-N 3.39Å; L169-G171 VanDerWaalsContact O-N 3.1Å |
| 172 | F | 75.4 | Confident | 77.5 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -107 | -6.3 | -179.7 | -69.6 | -80.6 | 0 | 0 | 0 | 113.5 | K132 T135 L169 V170 S174 S175 L176 | K132-F172 HydrophobicContact CB-CE2 3.94Å; K132-F172 HydrophobicContact CB-CZ 4.27Å; K132-F172 HydrophobicContact CD-CE2 3.92Å; K132-F172 HydrophobicContact CD-CZ 3.82Å; K132-F172 HydrophobicContact CG-CE2 3.67Å; K132-F172 HydrophobicContact CG-CZ 3.52Å; T135-F172 HydrophobicContact CG2-CB 3.96Å; T135-F172 HydrophobicContact CG2-CD1 4.25Å; T135-F172 HydrophobicContact CG2-CG 4.09Å; L169-F172 WeakPolarHBondContact O-CA 3.46Å; L169-F172 PolarHBondContact O-N 3.19Å; V170-F172 PolarHBondContact O-N 3.34Å; F172-S174 VanDerWaalsContact C-N 3.26Å; F172-S174 PolarHBondContact O-N 2.93Å; F172-S175 PolarHBondContact O-N 3.06Å; F172-L176 HydrophobicContact CB-CD1 4.41Å; F172-L176 WeakPolarHBondContact O-CB 3.39Å; F172-L176 WeakPolarHBondContact O-CG 3.49Å; F172-L176 PolarHBondContact O-N 2.97Å |
| 173 | H | 81.2 | Confident | 77.6 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -37.5 | -177.7 | -69.4 | 176.7 | 0 | 0 | 0 | 112.6 | G166 L169 V170 L177 L202 C205 L210 | G166-H173 PolarHBondContact O-CE1 2.86Å; G166-H173 PolarHBondContact O-NE2 3.24Å; L169-H173 VanDerWaalsContact C-CD2 3.41Å; L169-H173 PolarHBondContact O-CD2 3.49Å; L169-H173 PolarHBondContact O-N 3.36Å; L169-H173 PolarHBondContact O-NE2 3.5Å; V170-H173 PolarHBondContact O-N 2.89Å; H173-L177 VanDerWaalsContact O-CB 3.29Å; H173-L177 WeakPolarHBondContact O-CB 3.47Å; H173-L177 PolarHBondContact O-N 2.77Å; H173-L202 HydrophobicContact CB-CD1 4.1Å; H173-C205 PolarHBondContact CE1-O 3.21Å; H173-C205 VanDerWaalsContact CE1-O 3.3Å; H173-L210 HydrophobicContact CB-CD1 3.6Å |
| 174 | S | 81.4 | Confident | 77.5 | Confident | 63 Ų | 63 | 35 Ų | 35 | 44% | 0.441 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -46.3 | 176.5 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | F172 L177 S178 | F172-S174 VanDerWaalsContact C-N 3.26Å; F172-S174 PolarHBondContact O-N 2.93Å; S174-L177 PolarHBondContact O-N 2.86Å; S174-S178 PolarHBondContact O-N 3.26Å; S174-S178 PolarHBondContact O-OG 3.35Å |
| 175 | S | 80.9 | Confident | 77.7 | Confident | 48 Ų | 48 | 34 Ų | 34 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.6 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | F172 L177 S178 S179 | F172-S175 PolarHBondContact O-N 3.06Å; S175-L177 PolarHBondContact O-N 3.2Å; S175-S178 WeakPolarHBondContact CA-OG 3.03Å; S175-S178 PolarHBondContact O-N 3.4Å; S175-S178 PolarHBondContact O-OG 3.25Å; S175-S179 PolarHBondContact O-N 3Å; S175-S179 PolarHBondContact O-OG 3.33Å; S175-S179 VanDerWaalsContact O-OG 3.12Å |
| 176 | L | 81.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 176.1 | -74.4 | 174.6 | 0 | 0 | 0 | 111.8 | T135 I139 L158 L162 F172 S179 L180 | T135-L176 HydrophobicContact CG2-CD1 4.05Å; T135-L176 HydrophobicContact CG2-CD2 3.86Å; T135-L176 HydrophobicContact CG2-CG 4.06Å; I139-L176 HydrophobicContact CD1-CD2 3.88Å; I139-L176 HydrophobicContact CD1-CG 4.31Å; I139-L176 HydrophobicContact CG1-CD2 3.78Å; L158-L176 HydrophobicContact CD1-CD1 4.09Å; L158-L176 HydrophobicContact CD1-CD2 3.61Å; L158-L176 HydrophobicContact CD2-CD2 3.96Å; L158-L176 HydrophobicContact CG-CD2 4.43Å; L162-L176 HydrophobicContact CD2-CD1 4.07Å; F172-L176 HydrophobicContact CB-CD1 4.41Å; F172-L176 WeakPolarHBondContact O-CB 3.39Å; F172-L176 WeakPolarHBondContact O-CG 3.49Å; F172-L176 PolarHBondContact O-N 2.97Å; L176-S179 PolarHBondContact O-N 3.25Å; L176-L180 WeakPolarHBondContact O-CB 3.33Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.36Å; L176-L180 PolarHBondContact O-N 2.64Å |
| 177 | L | 82.8 | Confident | 78.6 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 175 | -176.7 | 64.6 | 0 | 0 | 0 | 110.9 | H173 S174 S175 S179 L180 L181 L199 L202 L210 L214 | H173-L177 VanDerWaalsContact O-CB 3.29Å; H173-L177 WeakPolarHBondContact O-CB 3.47Å; H173-L177 PolarHBondContact O-N 2.77Å; S174-L177 PolarHBondContact O-N 2.86Å; S175-L177 PolarHBondContact O-N 3.2Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.46Å; L177-L180 PolarHBondContact O-N 3.27Å; L177-L181 HydrophobicContact CD1-CD1 4.32Å; L177-L181 HydrophobicContact CD1-CD2 4.37Å; L177-L181 HydrophobicContact CD1-CG 4.17Å; L177-L181 HydrophobicContact CG-CD1 4.17Å; L177-L181 HydrophobicContact CG-CG 4.43Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.21Å; L177-L181 PolarHBondContact O-N 3.43Å; L177-L181 VanDerWaalsContact O-N 3.14Å; L177-L199 HydrophobicContact CD1-CD2 3.97Å; L177-L202 HydrophobicContact CB-CD2 4.27Å; L177-L202 HydrophobicContact CD1-CD2 4.37Å; L177-L210 HydrophobicContact CD2-CD2 4.26Å; L177-L214 HydrophobicContact CD1-CB 4.1Å; L177-L214 HydrophobicContact CD1-CD1 3.84Å; L177-L214 HydrophobicContact CD1-CD2 4.44Å; L177-L214 HydrophobicContact CD1-CG 4.32Å; L177-L214 HydrophobicContact CD2-CB 4.44Å |
| 178 | S | 82.2 | Confident | 79.1 | Confident | 73 Ų | 73 | 43.7 Ų | 43.7 | 51% | 0.51 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -29.6 | 179 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | S174 S175 P182 | S174-S178 PolarHBondContact O-N 3.26Å; S174-S178 PolarHBondContact O-OG 3.35Å; S175-S178 WeakPolarHBondContact CA-OG 3.03Å; S175-S178 PolarHBondContact O-N 3.4Å; S175-S178 PolarHBondContact O-OG 3.25Å; S178-P182 WeakPolarHBondContact O-CD 3.41Å |
| 179 | S | 81.1 | Confident | 79.6 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -84.3 | -29.9 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | S175 L176 L177 | S175-S179 PolarHBondContact O-N 3Å; S175-S179 PolarHBondContact O-OG 3.33Å; S175-S179 VanDerWaalsContact O-OG 3.12Å; L176-S179 PolarHBondContact O-N 3.25Å; L177-S179 VanDerWaalsContact C-N 3.26Å; L177-S179 PolarHBondContact O-N 3.46Å |
| 180 | L | 82.2 | Confident | 80.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.6 | -30 | -178.9 | -74.5 | 171.6 | 0 | 0 | 0 | 113.4 | L155 L158 L176 L177 E183 A198 L199 L202 | L155-L180 HydrophobicContact CD2-CD2 3.44Å; L155-L180 VanDerWaalsContact CD2-CD2 3.44Å; L158-L180 HydrophobicContact CD2-CD1 4.16Å; L158-L180 HydrophobicContact CD2-CD2 3.98Å; L158-L180 HydrophobicContact CD2-CG 4.32Å; L176-L180 WeakPolarHBondContact O-CB 3.33Å; L176-L180 VanDerWaalsContact O-CG 3.26Å; L176-L180 WeakPolarHBondContact O-CG 3.36Å; L176-L180 PolarHBondContact O-N 2.64Å; L177-L180 PolarHBondContact O-N 3.27Å; L180-E183 PolarHBondContact O-N 3.27Å; L180-A198 HydrophobicContact CD1-CB 4.2Å; L180-A198 HydrophobicContact CD2-CB 4.18Å; L180-L199 HydrophobicContact CB-CD2 3.79Å; L180-L199 HydrophobicContact CB-CG 4.14Å; L180-L199 HydrophobicContact CD1-CD2 3.84Å; L180-L199 HydrophobicContact CD1-CG 4.18Å; L180-L199 HydrophobicContact CG-CD2 4.48Å; L180-L202 HydrophobicContact CD1-CD2 4.27Å |
| 181 | L | 82.6 | Confident | 80.6 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 13% | 0.126 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | -179.6 | -73.1 | 175.7 | 0 | 0 | 0 | 113.4 | L177 E183 L184 L214 H217 | L177-L181 HydrophobicContact CD1-CD1 4.32Å; L177-L181 HydrophobicContact CD1-CD2 4.37Å; L177-L181 HydrophobicContact CD1-CG 4.17Å; L177-L181 HydrophobicContact CG-CD1 4.17Å; L177-L181 HydrophobicContact CG-CG 4.43Å; L177-L181 VanDerWaalsContact O-CG 3.27Å; L177-L181 WeakPolarHBondContact O-CG 3.21Å; L177-L181 PolarHBondContact O-N 3.43Å; L177-L181 VanDerWaalsContact O-N 3.14Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.5Å; L181-L184 HydrophobicContact CD2-CD1 4.32Å; L181-L184 WeakPolarHBondContact O-CB 3.4Å; L181-L184 PolarHBondContact O-N 3.11Å; L181-L214 HydrophobicContact CD2-CD1 3.73Å; L181-H217 VanDerWaalsContact CD2-CD2 3.44Å; L181-H217 WeakPolarHBondContact CD2-CD2 3.49Å |
| 182 | P | 82.8 | Confident | 81.1 | Confident | 65 Ų | 65 | 41.5 Ų | 41.5 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -34.4 | 175.1 | -24.4 | 35 | 0 | 0 | 0 | 113.5 | S178 L184 T185 | S178-P182 WeakPolarHBondContact O-CD 3.41Å; P182-L184 PolarHBondContact O-N 2.97Å; P182-L184 VanDerWaalsContact O-N 3.16Å; P182-T185 PolarHBondContact O-N 3.46Å; P182-T185 PolarHBondContact O-OG1 3.24Å |
| 183 | E | 80.7 | Confident | 81.5 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -16.2 | -178.5 | -65 | -54.3 | 137.1 | 0 | 0 | 113.6 | L180 L181 T185 N186 V191 S195 | L180-E183 PolarHBondContact O-N 3.27Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.5Å; E183-T185 PolarHBondContact O-N 3.08Å; E183-N186 WeakPolarHBondContact O-CB 3.47Å; E183-N186 PolarHBondContact O-N 2.99Å; E183-N186 PolarHBondContact OE2-ND2 2.97Å; E183-V191 HydrophobicContact CB-CG1 4.43Å; E183-V191 WeakPolarHBondContact OE2-CG1 3.41Å; E183-S195 WeakPolarHBondContact CB-OG 3.29Å |
| 184 | L | 78.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.4 | 170.7 | -63 | 178 | 0 | 0 | 0 | 112.9 | L181 P182 R192 I196 L199 T233 Y234 | L181-L184 HydrophobicContact CD2-CD1 4.32Å; L181-L184 WeakPolarHBondContact O-CB 3.4Å; L181-L184 PolarHBondContact O-N 3.11Å; P182-L184 PolarHBondContact O-N 2.97Å; P182-L184 VanDerWaalsContact O-N 3.16Å; L184-R192 WeakPolarHBondContact O-CD 3.45Å; L184-I196 HydrophobicContact CD2-CG1 3.8Å; L184-L199 HydrophobicContact CD1-CD1 3.8Å; L184-L199 HydrophobicContact CD2-CD1 4.01Å; L184-L199 HydrophobicContact CG-CD1 4.15Å; L184-T233 HydrophobicContact CD2-CG2 4.35Å; L184-Y234 HydrophobicContact CB-CE1 4.3Å; L184-Y234 HydrophobicContact CD1-CD1 4.4Å; L184-Y234 HydrophobicContact CD1-CE1 4.13Å |
| 185 | T | 81.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 43.6 Ų | 43.6 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.1 | 179 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | P182 E183 L230 Y234 | P182-T185 PolarHBondContact O-N 3.46Å; P182-T185 PolarHBondContact O-OG1 3.24Å; E183-T185 PolarHBondContact O-N 3.08Å; T185-L230 HydrophobicContact CG2-CD2 4.39Å; T185-Y234 WeakPolarHBondContact CG2-OH 3.23Å |
| 186 | N | 81.1 | Confident | 82.1 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | trans | -62.9 | 148.5 | -177.7 | -160.3 | -32.3 | 0 | 0 | 0 | 111.5 | Q151 E183 R188 V191 R192 | Q151-N186 PolarHBondContact OE1-ND2 3.27Å; E183-N186 WeakPolarHBondContact O-CB 3.47Å; E183-N186 PolarHBondContact O-N 2.99Å; E183-N186 PolarHBondContact OE2-ND2 2.97Å; N186-R188 PolarHBondContact O-N 3.49Å; N186-V191 HydrophobicContact CB-CB 4.46Å; N186-V191 HydrophobicContact CB-CG1 4.25Å; N186-R192 WeakPolarHBondContact O-CD 3.44Å | ||
| 187 | S | 77 | Confident | 82.3 | Confident | 109 Ų | 109 | 45.9 Ų | 45.9 | 76% | 0.762 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -63.9 | -26.8 | -175.4 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 188 | R | 80.6 | Confident | 82.4 | Confident | 140 Ų | 140 | 45.6 Ų | 45.6 | 53% | 0.528 | 25% | 0.25 | S | S | . | . | trans | -95.6 | 125 | -178.6 | -68.5 | -178.3 | -178 | -166.2 | 12.5 | 112.6 | V148 N186 A190 V191 R192 | V148-R188 VanDerWaalsContact CB-NH1 3.27Å; V148-R188 VanDerWaalsContact CG1-CD 3.46Å; N186-R188 PolarHBondContact O-N 3.49Å; R188-A190 VanDerWaalsContact C-N 3.3Å; R188-A190 PolarHBondContact O-N 3.43Å; R188-V191 HydrophobicContact CB-CG2 4.18Å; R188-V191 PolarHBondContact O-N 3.02Å; R188-R192 PolarHBondContact O-N 3.04Å | ||
| 189 | M | 79.3 | Confident | 82.5 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -33.2 | 179.7 | -164.3 | -166.6 | -156.8 | 0 | 0 | 113.8 | V191 R192 K193 | M189-V191 VanDerWaalsContact C-N 3.33Å; M189-V191 PolarHBondContact O-N 3.26Å; M189-R192 PolarHBondContact O-N 2.7Å; M189-K193 PolarHBondContact O-N 2.71Å |
| 190 | A | 81.4 | Confident | 82.6 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 42% | 0.421 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L152 R188 K193 R194 | L152-A190 HydrophobicContact CD1-CB 4.46Å; L152-A190 HydrophobicContact CD2-CB 3.92Å; R188-A190 VanDerWaalsContact C-N 3.3Å; R188-A190 PolarHBondContact O-N 3.43Å; A190-K193 PolarHBondContact O-N 3.07Å; A190-R194 PolarHBondContact O-N 3.38Å; A190-R194 VanDerWaalsContact O-N 3.09Å |
| 191 | V | 83.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -48 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | V148 L152 L155 E183 N186 R188 M189 K193 R194 S195 | V148-V191 HydrophobicContact CG1-CG2 3.82Å; L152-V191 HydrophobicContact CD2-CB 4.44Å; L152-V191 HydrophobicContact CD2-CG2 3.84Å; L152-V191 HydrophobicContact CG-CG2 4.2Å; L155-V191 HydrophobicContact CD1-CG1 3.71Å; E183-V191 HydrophobicContact CB-CG1 4.43Å; E183-V191 WeakPolarHBondContact OE2-CG1 3.41Å; N186-V191 HydrophobicContact CB-CB 4.46Å; N186-V191 HydrophobicContact CB-CG1 4.25Å; R188-V191 HydrophobicContact CB-CG2 4.18Å; R188-V191 PolarHBondContact O-N 3.02Å; M189-V191 VanDerWaalsContact C-N 3.33Å; M189-V191 PolarHBondContact O-N 3.26Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.48Å; V191-R194 PolarHBondContact O-N 3.28Å; V191-S195 WeakPolarHBondContact O-CB 3.4Å; V191-S195 PolarHBondContact O-N 3.45Å; V191-S195 PolarHBondContact O-OG 3.35Å; V191-S195 VanDerWaalsContact O-OG 3.07Å |
| 192 | R | 85.3 | Confident | 82.6 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.8 | -45.7 | 176.7 | -62 | -169.2 | -63.9 | -164 | 2.2 | 112.4 | L184 N186 R188 M189 S195 I196 S229 T233 | L184-R192 WeakPolarHBondContact O-CD 3.45Å; N186-R192 WeakPolarHBondContact O-CD 3.44Å; R188-R192 PolarHBondContact O-N 3.04Å; M189-R192 PolarHBondContact O-N 2.7Å; R192-S195 PolarHBondContact O-N 3.21Å; R192-I196 VanDerWaalsContact O-CG1 3.26Å; R192-I196 WeakPolarHBondContact O-CG1 3.35Å; R192-I196 PolarHBondContact O-N 2.88Å; R192-S229 PolarHBondContact NH1-OG 2.99Å; R192-S229 PolarHBondContact NH2-OG 3.22Å; R192-T233 HydrophobicContact CB-CG2 3.87Å; R192-T233 HydrophobicContact CG-CG2 4.28Å; R192-T233 PolarHBondContact NE-OG1 3.31Å |
| 193 | K | 84.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 39.3 Ų | 39.3 | 39% | 0.387 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | 178.2 | -74.2 | -177.8 | -179.8 | 176.5 | 0 | 112.6 | M189 A190 V191 I196 L197 | M189-K193 PolarHBondContact O-N 2.71Å; A190-K193 PolarHBondContact O-N 3.07Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 3.48Å; K193-I196 PolarHBondContact O-N 3.39Å; K193-L197 PolarHBondContact O-N 3.49Å; K193-L197 VanDerWaalsContact O-N 3.16Å |
| 194 | R | 83.8 | Confident | 82.3 | Confident | 70 Ų | 70 | 41.4 Ų | 41.4 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 176.8 | -69.5 | -166 | -175.9 | -175.1 | 1.4 | 111.7 | L152 E153 L155 D156 A190 V191 I196 L197 A198 | L152-R194 HydrophobicContact CD2-CG 4.29Å; L152-R194 VanDerWaalsContact O-CD 3.31Å; L152-R194 WeakPolarHBondContact O-CD 3.38Å; L152-R194 PolarHBondContact O-NH1 3.11Å; E153-R194 IonicContact OE1-CZ 2.81Å; E153-R194 IonicContact OE1-NH1 2.99Å; E153-R194 PolarHBondContact OE1-NH1 3.12Å; E153-R194 IonicContact OE1-NH2 3.07Å; L155-R194 HydrophobicContact CB-CB 3.84Å; L155-R194 HydrophobicContact CD1-CB 3.99Å; D156-R194 IonicContact OD2-NH1 2.81Å; A190-R194 PolarHBondContact O-N 3.38Å; A190-R194 VanDerWaalsContact O-N 3.09Å; V191-R194 PolarHBondContact O-N 3.28Å; R194-I196 PolarHBondContact O-N 2.96Å; R194-L197 PolarHBondContact O-N 3.02Å; R194-A198 PolarHBondContact O-N 3.36Å |
| 195 | S | 86.3 | Confident | 82 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | L155 E183 V191 R192 L197 A198 L199 | L155-S195 VanDerWaalsContact CD1-OG 3.27Å; L155-S195 WeakPolarHBondContact CD1-OG 3.19Å; E183-S195 WeakPolarHBondContact CB-OG 3.29Å; V191-S195 WeakPolarHBondContact O-CB 3.4Å; V191-S195 PolarHBondContact O-N 3.45Å; V191-S195 PolarHBondContact O-OG 3.35Å; V191-S195 VanDerWaalsContact O-OG 3.07Å; R192-S195 PolarHBondContact O-N 3.21Å; S195-L197 VanDerWaalsContact C-N 3.34Å; S195-L197 PolarHBondContact O-N 3.47Å; S195-A198 PolarHBondContact O-N 3.04Å; S195-L199 WeakPolarHBondContact O-CB 3.46Å; S195-L199 WeakPolarHBondContact O-CG 3.39Å; S195-L199 PolarHBondContact O-N 2.99Å |
| 196 | I | 86.2 | Confident | 81.6 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.8 | -70.5 | 164.3 | 0 | 0 | 0 | 111.3 | L184 R192 K193 R194 L199 G200 T233 Q236 C237 T240 | L184-I196 HydrophobicContact CD2-CG1 3.8Å; R192-I196 VanDerWaalsContact O-CG1 3.26Å; R192-I196 WeakPolarHBondContact O-CG1 3.35Å; R192-I196 PolarHBondContact O-N 2.88Å; K193-I196 PolarHBondContact O-N 3.39Å; R194-I196 PolarHBondContact O-N 2.96Å; I196-L199 PolarHBondContact O-N 3.21Å; I196-G200 PolarHBondContact O-N 3.04Å; I196-T233 HydrophobicContact CD1-CG2 3.91Å; I196-Q236 HydrophobicContact CD1-CB 4Å; I196-Q236 HydrophobicContact CD1-CG 4.02Å; I196-C237 HydrophobicContact CD1-CB 4.39Å; I196-C237 HydrophobicContact CG1-CB 3.97Å; I196-T240 HydrophobicContact CG2-CG2 4Å |
| 197 | L | 85.5 | Confident | 81.3 | Confident | 95 Ų | 95 | 41.6 Ų | 41.6 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.9 | -68.9 | 173 | 0 | 0 | 0 | 111.4 | K193 R194 S195 L199 G200 Q201 | K193-L197 PolarHBondContact O-N 3.49Å; K193-L197 VanDerWaalsContact O-N 3.16Å; R194-L197 PolarHBondContact O-N 3.02Å; S195-L197 VanDerWaalsContact C-N 3.34Å; S195-L197 PolarHBondContact O-N 3.47Å; L197-L199 PolarHBondContact O-N 3.03Å; L197-G200 WeakPolarHBondContact O-CA 3.49Å; L197-G200 PolarHBondContact O-N 3.19Å; L197-G200 VanDerWaalsContact O-N 3.12Å; L197-Q201 PolarHBondContact O-N 3.13Å |
| 198 | A | 84.4 | Confident | 81 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L158 L180 R194 S195 G200 Q201 L202 | L158-A198 HydrophobicContact CD2-CB 4.44Å; L180-A198 HydrophobicContact CD1-CB 4.2Å; L180-A198 HydrophobicContact CD2-CB 4.18Å; R194-A198 PolarHBondContact O-N 3.36Å; S195-A198 PolarHBondContact O-N 3.04Å; A198-G200 VanDerWaalsContact C-N 3.33Å; A198-G200 PolarHBondContact O-N 3.12Å; A198-Q201 PolarHBondContact O-N 3.49Å; A198-L202 WeakPolarHBondContact O-CB 3.3Å; A198-L202 PolarHBondContact O-N 2.85Å |
| 199 | L | 84.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 173.4 | -74.5 | 172.7 | 0 | 0 | 0 | 112.2 | L177 L180 L184 S195 I196 L197 L202 V203 | L177-L199 HydrophobicContact CD1-CD2 3.97Å; L180-L199 HydrophobicContact CB-CD2 3.79Å; L180-L199 HydrophobicContact CB-CG 4.14Å; L180-L199 HydrophobicContact CD1-CD2 3.84Å; L180-L199 HydrophobicContact CD1-CG 4.18Å; L180-L199 HydrophobicContact CG-CD2 4.48Å; L184-L199 HydrophobicContact CD1-CD1 3.8Å; L184-L199 HydrophobicContact CD2-CD1 4.01Å; L184-L199 HydrophobicContact CG-CD1 4.15Å; S195-L199 WeakPolarHBondContact O-CB 3.46Å; S195-L199 WeakPolarHBondContact O-CG 3.39Å; S195-L199 PolarHBondContact O-N 2.99Å; I196-L199 PolarHBondContact O-N 3.21Å; L197-L199 PolarHBondContact O-N 3.03Å; L199-L202 HydrophobicContact CD2-CD2 4.2Å; L199-L202 WeakPolarHBondContact O-CB 3.3Å; L199-L202 PolarHBondContact O-N 3.35Å; L199-V203 WeakPolarHBondContact O-CB 3.39Å; L199-V203 VanDerWaalsContact O-CG2 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.32Å; L199-V203 PolarHBondContact O-N 3.28Å |
| 200 | G | 82.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I196 L197 A198 V203 Q244 | I196-G200 PolarHBondContact O-N 3.04Å; L197-G200 WeakPolarHBondContact O-CA 3.49Å; L197-G200 PolarHBondContact O-N 3.19Å; L197-G200 VanDerWaalsContact O-N 3.12Å; A198-G200 VanDerWaalsContact C-N 3.33Å; A198-G200 PolarHBondContact O-N 3.12Å; G200-V203 PolarHBondContact O-N 3.26Å; G200-Q244 VanDerWaalsContact O-CB 3.27Å; G200-Q244 WeakPolarHBondContact O-CB 3.41Å; G200-Q244 WeakPolarHBondContact O-CG 3.3Å |
| 201 | Q | 83.6 | Confident | 80.5 | Confident | 57 Ų | 57 | 33 Ų | 33 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 176.6 | -61.4 | -59.7 | -17 | 0 | 0 | 112.1 | L162 L197 A198 V203 A204 | L162-Q201 HydrophobicContact CB-CB 3.83Å; L197-Q201 PolarHBondContact O-N 3.13Å; A198-Q201 PolarHBondContact O-N 3.49Å; Q201-V203 PolarHBondContact O-N 2.88Å; Q201-A204 WeakPolarHBondContact O-CB 3.43Å; Q201-A204 PolarHBondContact O-N 2.87Å |
| 202 | L | 82.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 175 | -178.8 | 58.5 | 0 | 0 | 0 | 111.5 | L162 H173 L177 L180 A198 L199 A204 C205 C206 | L162-L202 HydrophobicContact CD1-CB 4.02Å; L162-L202 HydrophobicContact CD2-CD1 3.92Å; H173-L202 HydrophobicContact CB-CD1 4.1Å; L177-L202 HydrophobicContact CB-CD2 4.27Å; L177-L202 HydrophobicContact CD1-CD2 4.37Å; L180-L202 HydrophobicContact CD1-CD2 4.27Å; A198-L202 WeakPolarHBondContact O-CB 3.3Å; A198-L202 PolarHBondContact O-N 2.85Å; L199-L202 HydrophobicContact CD2-CD2 4.2Å; L199-L202 WeakPolarHBondContact O-CB 3.3Å; L199-L202 PolarHBondContact O-N 3.35Å; L202-A204 PolarHBondContact O-N 3.29Å; L202-C205 PolarHBondContact O-N 2.9Å; L202-C206 WeakPolarHBondContact CG-SG 3.11Å; L202-C206 PolarHBondContact O-N 3.39Å; L202-C206 PolarHBondContact O-SG 3Å |
| 203 | V | 80.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -32.5 | -179.7 | 161.6 | 0 | 0 | 0 | 0 | 112.7 | L199 G200 Q201 C205 F211 L214 V241 R248 | L199-V203 WeakPolarHBondContact O-CB 3.39Å; L199-V203 VanDerWaalsContact O-CG2 3.28Å; L199-V203 WeakPolarHBondContact O-CG2 3.32Å; L199-V203 PolarHBondContact O-N 3.28Å; G200-V203 PolarHBondContact O-N 3.26Å; Q201-V203 PolarHBondContact O-N 2.88Å; V203-C205 PolarHBondContact O-N 3.32Å; V203-F211 HydrophobicContact CG1-CD2 3.79Å; V203-F211 HydrophobicContact CG1-CE2 3.59Å; V203-F211 HydrophobicContact CG2-CD2 4.23Å; V203-F211 HydrophobicContact CG2-CE2 4.41Å; V203-L214 HydrophobicContact CG2-CD2 3.48Å; V203-L214 VanDerWaalsContact CG2-CD2 3.48Å; V203-V241 HydrophobicContact CG1-CG1 4.27Å; V203-V241 HydrophobicContact CG2-CG1 4.11Å; V203-V241 HydrophobicContact CG2-CG2 4.16Å; V203-R248 PolarHBondContact O-NH1 3.3Å |
| 204 | A | 75.4 | Confident | 80 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -26.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q201 L202 | Q201-A204 WeakPolarHBondContact O-CB 3.43Å; Q201-A204 PolarHBondContact O-N 2.87Å; L202-A204 PolarHBondContact O-N 3.29Å |
| 205 | C | 73.3 | Confident | 79.7 | Confident | 49 Ų | 49 | 31.7 Ų | 31.7 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -117 | -2.5 | -175.4 | -59.3 | 0 | 0 | 0 | 0 | 114.7 | H173 L202 V203 | H173-C205 PolarHBondContact CE1-O 3.21Å; H173-C205 VanDerWaalsContact CE1-O 3.3Å; L202-C205 PolarHBondContact O-N 2.9Å; V203-C205 PolarHBondContact O-N 3.32Å |
| 206 | C | 73 | Confident | 79.5 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 8% | 0.081 | 22% | 0.217 | C | C | . | . | trans | -70.5 | 152.6 | -175 | -86.8 | 0 | 0 | 0 | 0 | 114.8 | L202 R248 | L202-C206 WeakPolarHBondContact CG-SG 3.11Å; L202-C206 PolarHBondContact O-N 3.39Å; L202-C206 PolarHBondContact O-SG 3Å; C206-R248 VanDerWaalsContact O-CZ 3.26Å; C206-R248 PolarHBondContact O-NH1 3.48Å; C206-R248 PolarHBondContact O-NH2 2.91Å | ||
| 207 | S | 73.4 | Confident | 79.2 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | trans | -65.9 | 155.2 | 165.9 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | A209 L210 F211 R248 | S207-A209 VanDerWaalsContact C-N 3.3Å; S207-A209 PolarHBondContact O-N 3.34Å; S207-L210 PolarHBondContact O-N 3.05Å; S207-L210 WeakPolarHBondContact OG-CG 3.38Å; S207-F211 PolarHBondContact O-N 2.92Å; S207-F211 VanDerWaalsContact O-N 3.17Å; S207-R248 PolarHBondContact O-NH2 3.05Å | ||
| 208 | P | 72.3 | Confident | 78.9 | Confident | 94 Ų | 94 | 34.2 Ų | 34.2 | 61% | 0.61 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -54.5 | -42.4 | 178 | -27.4 | 35.6 | 0 | 0 | 0 | 113.4 | L210 F211 S212 | P208-L210 PolarHBondContact O-N 3.41Å; P208-F211 WeakPolarHBondContact O-CB 3.42Å; P208-F211 PolarHBondContact O-N 2.95Å; P208-S212 PolarHBondContact O-N 3.5Å; P208-S212 PolarHBondContact O-OG 2.99Å |
| 209 | A | 74.6 | Confident | 78.6 | Confident | 72 Ų | 72 | 35.4 Ų | 35.4 | 60% | 0.595 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.3 | -42.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S207 F211 S212 Q213 | S207-A209 VanDerWaalsContact C-N 3.3Å; S207-A209 PolarHBondContact O-N 3.34Å; A209-F211 VanDerWaalsContact C-N 3.31Å; A209-F211 PolarHBondContact O-N 3.5Å; A209-S212 PolarHBondContact O-N 3.43Å; A209-Q213 WeakPolarHBondContact O-CB 3.46Å; A209-Q213 PolarHBondContact O-N 2.9Å |
| 210 | L | 77.1 | Confident | 78.5 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68 | -33.1 | 177.3 | -70.1 | 175.5 | 0 | 0 | 0 | 111.9 | H173 L177 S207 P208 Q213 L214 | H173-L210 HydrophobicContact CB-CD1 3.6Å; L177-L210 HydrophobicContact CD2-CD2 4.26Å; S207-L210 PolarHBondContact O-N 3.05Å; S207-L210 WeakPolarHBondContact OG-CG 3.38Å; P208-L210 PolarHBondContact O-N 3.41Å; L210-Q213 PolarHBondContact O-N 3.41Å; L210-L214 WeakPolarHBondContact O-CB 3.39Å; L210-L214 PolarHBondContact O-N 3.05Å |
| 211 | F | 78.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -44.1 | 175.6 | -179.9 | -92.2 | 0 | 0 | 0 | 112.4 | V203 S207 P208 A209 Q213 L214 T215 V241 R248 V249 | V203-F211 HydrophobicContact CG1-CD2 3.79Å; V203-F211 HydrophobicContact CG1-CE2 3.59Å; V203-F211 HydrophobicContact CG2-CD2 4.23Å; V203-F211 HydrophobicContact CG2-CE2 4.41Å; S207-F211 PolarHBondContact O-N 2.92Å; S207-F211 VanDerWaalsContact O-N 3.17Å; P208-F211 WeakPolarHBondContact O-CB 3.42Å; P208-F211 PolarHBondContact O-N 2.95Å; A209-F211 VanDerWaalsContact C-N 3.31Å; A209-F211 PolarHBondContact O-N 3.5Å; F211-Q213 VanDerWaalsContact C-N 3.31Å; F211-Q213 PolarHBondContact O-N 3.35Å; F211-L214 PolarHBondContact O-N 2.84Å; F211-T215 WeakPolarHBondContact O-CB 3.46Å; F211-T215 PolarHBondContact O-N 3.32Å; F211-T215 PolarHBondContact O-OG1 3.47Å; F211-V241 HydrophobicContact CE2-CG1 3.79Å; F211-V241 HydrophobicContact CZ-CG1 4.28Å; F211-R248 HydrophobicContact CD1-CB 4.23Å; F211-R248 HydrophobicContact CE1-CB 3.93Å; F211-R248 VanDerWaalsContact CE1-O 3.27Å; F211-R248 WeakPolarHBondContact CE1-O 3.48Å; F211-R248 HydrophobicContact CZ-CB 4.14Å; F211-V249 HydrophobicContact CE2-CG2 4.45Å; F211-V249 HydrophobicContact CZ-CB 4.35Å; F211-V249 HydrophobicContact CZ-CG2 3.69Å |
| 212 | S | 79.4 | Confident | 77.8 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 172.4 | -59.4 | 0 | 0 | 0 | 0 | 111 | P208 A209 L214 T215 E216 H252 | P208-S212 PolarHBondContact O-N 3.5Å; P208-S212 PolarHBondContact O-OG 2.99Å; A209-S212 PolarHBondContact O-N 3.43Å; S212-L214 PolarHBondContact O-N 3.31Å; S212-T215 PolarHBondContact O-N 3.13Å; S212-E216 VanDerWaalsContact O-CB 3.3Å; S212-E216 WeakPolarHBondContact O-CB 3.32Å; S212-E216 WeakPolarHBondContact O-CG 3.37Å; S212-E216 PolarHBondContact O-N 3.36Å; S212-H252 PolarHBondContact OG-NE2 3.19Å |
| 213 | Q | 81.3 | Confident | 77.4 | Confident | 112 Ų | 112 | 43.5 Ų | 43.5 | 52% | 0.523 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 174.8 | -174 | -178.4 | 1 | 0 | 0 | 112.5 | A209 L210 F211 H217 | A209-Q213 WeakPolarHBondContact O-CB 3.46Å; A209-Q213 PolarHBondContact O-N 2.9Å; L210-Q213 PolarHBondContact O-N 3.41Å; F211-Q213 VanDerWaalsContact C-N 3.31Å; F211-Q213 PolarHBondContact O-N 3.35Å; Q213-H217 VanDerWaalsContact O-CB 3.31Å; Q213-H217 WeakPolarHBondContact O-CB 3.48Å; Q213-H217 PolarHBondContact O-N 3.12Å |
| 214 | L | 81.1 | Confident | 77.2 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 176 | 172 | 62.6 | 0 | 0 | 0 | 111.2 | L177 L181 V203 L210 F211 S212 H217 L218 V241 | L177-L214 HydrophobicContact CD1-CB 4.1Å; L177-L214 HydrophobicContact CD1-CD1 3.84Å; L177-L214 HydrophobicContact CD1-CD2 4.44Å; L177-L214 HydrophobicContact CD1-CG 4.32Å; L177-L214 HydrophobicContact CD2-CB 4.44Å; L181-L214 HydrophobicContact CD2-CD1 3.73Å; V203-L214 HydrophobicContact CG2-CD2 3.48Å; V203-L214 VanDerWaalsContact CG2-CD2 3.48Å; L210-L214 WeakPolarHBondContact O-CB 3.39Å; L210-L214 PolarHBondContact O-N 3.05Å; F211-L214 PolarHBondContact O-N 2.84Å; S212-L214 PolarHBondContact O-N 3.31Å; L214-H217 PolarHBondContact O-N 3.47Å; L214-L218 HydrophobicContact CD1-CD1 4.14Å; L214-L218 HydrophobicContact CD1-CG 4.22Å; L214-L218 HydrophobicContact CG-CD1 4.23Å; L214-L218 WeakPolarHBondContact O-CG 3.36Å; L214-L218 PolarHBondContact O-N 2.93Å; L214-V241 HydrophobicContact CD2-CG2 4.17Å |
| 215 | T | 77.4 | Confident | 76.7 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.5 | -39.2 | -177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | F211 S212 L218 L219 H252 L256 | F211-T215 WeakPolarHBondContact O-CB 3.46Å; F211-T215 PolarHBondContact O-N 3.32Å; F211-T215 PolarHBondContact O-OG1 3.47Å; S212-T215 PolarHBondContact O-N 3.13Å; T215-L218 PolarHBondContact O-N 2.87Å; T215-L219 HydrophobicContact CG2-CD1 4.13Å; T215-L219 HydrophobicContact CG2-CG 4.48Å; T215-L219 VanDerWaalsContact O-CB 3.31Å; T215-L219 WeakPolarHBondContact O-CB 3.11Å; T215-L219 VanDerWaalsContact O-CG 3.22Å; T215-L219 WeakPolarHBondContact O-CG 3.14Å; T215-L219 PolarHBondContact O-N 3.2Å; T215-H252 HydrophobicContact CG2-CB 3.84Å; T215-L256 HydrophobicContact CG2-CD1 4.31Å |
| 216 | E | 81.7 | Confident | 76.4 | Confident | 94 Ų | 94 | 52.8 Ų | 52.8 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 171.6 | -79.2 | -171.6 | -165.5 | 0 | 0 | 112.6 | S212 L219 K220 | S212-E216 VanDerWaalsContact O-CB 3.3Å; S212-E216 WeakPolarHBondContact O-CB 3.32Å; S212-E216 WeakPolarHBondContact O-CG 3.37Å; S212-E216 PolarHBondContact O-N 3.36Å; E216-L219 PolarHBondContact O-N 2.84Å; E216-K220 WeakPolarHBondContact O-CB 3Å; E216-K220 VanDerWaalsContact O-CG 3.24Å; E216-K220 WeakPolarHBondContact O-CG 3.39Å; E216-K220 PolarHBondContact O-N 3.38Å; E216-K220 IonicContact OE2-NZ 3.59Å |
| 217 | H | 81.6 | Confident | 76.2 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 25% | 0.25 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 175.9 | -178.9 | 77.3 | 0 | 0 | 0 | 110.9 | L181 Q213 L214 L219 K220 E221 | L181-H217 VanDerWaalsContact CD2-CD2 3.44Å; L181-H217 WeakPolarHBondContact CD2-CD2 3.49Å; Q213-H217 VanDerWaalsContact O-CB 3.31Å; Q213-H217 WeakPolarHBondContact O-CB 3.48Å; Q213-H217 PolarHBondContact O-N 3.12Å; L214-H217 PolarHBondContact O-N 3.47Å; H217-L219 VanDerWaalsContact C-N 3.34Å; H217-L219 PolarHBondContact O-N 2.62Å; H217-K220 PolarHBondContact O-N 3.21Å; H217-E221 WeakPolarHBondContact O-CG 3.26Å; H217-E221 PolarHBondContact O-N 3.1Å |
| 218 | L | 78.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 174.9 | -70.5 | 174.3 | 0 | 0 | 0 | 111.9 | L214 T215 E221 L222 Y234 C237 V241 | L214-L218 HydrophobicContact CD1-CD1 4.14Å; L214-L218 HydrophobicContact CD1-CG 4.22Å; L214-L218 HydrophobicContact CG-CD1 4.23Å; L214-L218 WeakPolarHBondContact O-CG 3.36Å; L214-L218 PolarHBondContact O-N 2.93Å; T215-L218 PolarHBondContact O-N 2.87Å; L218-E221 PolarHBondContact O-N 3.2Å; L218-L222 VanDerWaalsContact O-CB 3.27Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-Y234 HydrophobicContact CD2-CD1 3.62Å; L218-Y234 HydrophobicContact CD2-CE1 4.26Å; L218-C237 HydrophobicContact CD2-CB 4.38Å; L218-V241 HydrophobicContact CD1-CG2 4.46Å |
| 219 | L | 78 | Confident | 76.2 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 176.2 | -79 | 170 | 0 | 0 | 0 | 112.2 | T215 E216 H217 A223 L256 M259 | T215-L219 HydrophobicContact CG2-CD1 4.13Å; T215-L219 HydrophobicContact CG2-CG 4.48Å; T215-L219 VanDerWaalsContact O-CB 3.31Å; T215-L219 WeakPolarHBondContact O-CB 3.11Å; T215-L219 VanDerWaalsContact O-CG 3.22Å; T215-L219 WeakPolarHBondContact O-CG 3.14Å; T215-L219 PolarHBondContact O-N 3.2Å; E216-L219 PolarHBondContact O-N 2.84Å; H217-L219 VanDerWaalsContact C-N 3.34Å; H217-L219 PolarHBondContact O-N 2.62Å; L219-A223 WeakPolarHBondContact O-CB 3.45Å; L219-A223 PolarHBondContact O-N 2.81Å; L219-L256 HydrophobicContact CD2-CD2 3.42Å; L219-L256 VanDerWaalsContact CD2-CD2 3.42Å; L219-L256 HydrophobicContact CD2-CG 4.1Å; L219-L256 HydrophobicContact CG-CD2 3.98Å; L219-M259 HydrophobicContact CD2-CE 4.06Å; L219-M259 HydrophobicContact CD2-SD 4.11Å |
| 220 | K | 82.4 | Confident | 76.2 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 53% | 0.526 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 178.2 | -76.7 | 169.3 | -174.2 | 163.6 | 0 | 111.4 | E216 H217 A223 K224 | E216-K220 WeakPolarHBondContact O-CB 3Å; E216-K220 VanDerWaalsContact O-CG 3.24Å; E216-K220 WeakPolarHBondContact O-CG 3.39Å; E216-K220 PolarHBondContact O-N 3.38Å; E216-K220 IonicContact OE2-NZ 3.59Å; H217-K220 PolarHBondContact O-N 3.21Å; K220-A223 PolarHBondContact O-N 3.29Å; K220-K224 WeakPolarHBondContact O-CG 3.15Å; K220-K224 PolarHBondContact O-N 3.28Å |
| 221 | E | 77.8 | Confident | 76.3 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 178.5 | -66.7 | -51.8 | 135.7 | 0 | 0 | 112.3 | H217 L218 A223 K224 P226 Y234 | H217-E221 WeakPolarHBondContact O-CG 3.26Å; H217-E221 PolarHBondContact O-N 3.1Å; L218-E221 PolarHBondContact O-N 3.2Å; E221-A223 VanDerWaalsContact C-N 3.32Å; E221-A223 PolarHBondContact O-N 3.24Å; E221-K224 PolarHBondContact O-N 2.75Å; E221-K224 IonicContact OE1-NZ 3.32Å; E221-K224 PolarHBondContact OE1-NZ 3.27Å; E221-K224 IonicContact OE2-NZ 2.74Å; E221-K224 PolarHBondContact OE2-NZ 2.71Å; E221-P226 WeakPolarHBondContact O-CD 3.41Å; E221-Y234 HydrophobicContact CB-CE1 4.26Å; E221-Y234 HydrophobicContact CB-CE2 4.1Å |
| 222 | L | 74.5 | Confident | 76.4 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 173.5 | -74.8 | 169.3 | 0 | 0 | 0 | 112.3 | L218 K224 N225 T231 Y234 I235 M259 F263 | L218-L222 VanDerWaalsContact O-CB 3.27Å; L218-L222 WeakPolarHBondContact O-CB 3.41Å; L218-L222 VanDerWaalsContact O-CG 3.25Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 2.99Å; L222-K224 VanDerWaalsContact C-N 3.26Å; L222-K224 PolarHBondContact O-N 2.71Å; L222-N225 PolarHBondContact O-N 3.18Å; L222-T231 HydrophobicContact CD2-CG2 4.26Å; L222-Y234 HydrophobicContact CD2-CG 4.39Å; L222-I235 HydrophobicContact CD2-CG1 4.25Å; L222-M259 HydrophobicContact CB-SD 3.54Å; L222-M259 VanDerWaalsContact CB-SD 3.54Å; L222-M259 HydrophobicContact CD1-SD 4.15Å; L222-M259 HydrophobicContact CG-SD 4.48Å; L222-F263 HydrophobicContact CB-CE2 4.39Å; L222-F263 HydrophobicContact CD2-CE2 4.07Å; L222-F263 HydrophobicContact CD2-CZ 4.41Å |
| 223 | A | 74.4 | Confident | 76.6 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.6 | -22.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L219 K220 E221 N225 M259 | L219-A223 WeakPolarHBondContact O-CB 3.45Å; L219-A223 PolarHBondContact O-N 2.81Å; K220-A223 PolarHBondContact O-N 3.29Å; E221-A223 VanDerWaalsContact C-N 3.32Å; E221-A223 PolarHBondContact O-N 3.24Å; A223-N225 PolarHBondContact O-N 3.07Å; A223-M259 HydrophobicContact CB-CE 4.27Å |
| 224 | K | 75.1 | Confident | 76.7 | Confident | 141 Ų | 141 | 51.8 Ų | 51.8 | 61% | 0.613 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -4.4 | 176.7 | -72.3 | 170.1 | -174.5 | 174.6 | 0 | 113.6 | K220 E221 L222 | K220-K224 WeakPolarHBondContact O-CG 3.15Å; K220-K224 PolarHBondContact O-N 3.28Å; E221-K224 PolarHBondContact O-N 2.75Å; E221-K224 IonicContact OE1-NZ 3.32Å; E221-K224 PolarHBondContact OE1-NZ 3.27Å; E221-K224 IonicContact OE2-NZ 2.74Å; E221-K224 PolarHBondContact OE2-NZ 2.71Å; L222-K224 VanDerWaalsContact C-N 3.26Å; L222-K224 PolarHBondContact O-N 2.71Å |
| 225 | N | 64.3 | Low | 76.8 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 65% | 0.647 | 26% | 0.264 | S | S | * | . | trans | 48.4 | 65.7 | -175.3 | -73.1 | -26.2 | 0 | 0 | 0 | 113 | L222 A223 | L222-N225 PolarHBondContact O-N 3.18Å; A223-N225 PolarHBondContact O-N 3.07Å | ||
| 226 | P | 67.4 | Low | 77.1 | Confident | 35 Ų | 35 | 53 Ų | 53 | 23% | 0.227 | 27% | 0.27 | C | S | . | . | trans | -70.3 | 172.1 | 178.7 | 30.3 | -32.8 | 0 | 0 | 0 | 112 | E221 L230 T231 Y234 | E221-P226 WeakPolarHBondContact O-CD 3.41Å; P226-L230 HydrophobicContact CB-CB 4.04Å; P226-L230 HydrophobicContact CB-CD1 4.25Å; P226-L230 HydrophobicContact CG-CB 4.29Å; P226-T231 PolarHBondContact O-OG1 3.06Å; P226-T231 VanDerWaalsContact O-OG1 3.06Å; P226-Y234 HydrophobicContact CG-CD2 4.27Å; P226-Y234 HydrophobicContact CG-CE2 4.25Å | ||
| 227 | Q | 69.4 | Low | 77.2 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 72% | 0.724 | 25% | 0.25 | S | C | * | . | trans | -51.1 | 141.7 | 175.8 | -167.5 | 179.4 | 3.6 | 0 | 0 | 111 | S229 L230 T231 | Q227-S229 PolarHBondContact O-N 3.17Å; Q227-L230 WeakPolarHBondContact O-CA 3.39Å; Q227-L230 WeakPolarHBondContact O-CB 3.48Å; Q227-L230 PolarHBondContact O-N 2.59Å; Q227-T231 PolarHBondContact O-N 3.44Å; Q227-T231 VanDerWaalsContact O-N 3.14Å; Q227-T231 PolarHBondContact O-OG1 2.94Å | ||
| 228 | T | 70.6 | Confident | 77.3 | Confident | 64 Ų | 64 | 46.1 Ų | 46.1 | 39% | 0.393 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -47.8 | -37.9 | -172.2 | -46.2 | 0 | 0 | 0 | 0 | 114 | L230 T231 R232 D268 | T228-L230 PolarHBondContact O-N 2.96Å; T228-T231 PolarHBondContact O-N 3.17Å; T228-R232 WeakPolarHBondContact O-CG 3.04Å; T228-R232 PolarHBondContact O-N 3.42Å; T228-D268 HydrophobicContact CG2-CB 4.31Å; T228-D268 WeakPolarHBondContact CG2-OD2 3.43Å |
| 229 | S | 74.1 | Confident | 77.5 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -38.2 | 176.2 | -169.1 | 0 | 0 | 0 | 0 | 114.3 | R192 Q227 T233 | R192-S229 PolarHBondContact NH1-OG 2.99Å; R192-S229 PolarHBondContact NH2-OG 3.22Å; Q227-S229 PolarHBondContact O-N 3.17Å; S229-T233 PolarHBondContact O-N 3.47Å; S229-T233 PolarHBondContact O-OG1 3.28Å |
| 230 | L | 76.5 | Confident | 77.7 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74 | -39.9 | 176.3 | -68.6 | 172.2 | 0 | 0 | 0 | 110.4 | T185 P226 Q227 T228 R232 T233 Y234 | T185-L230 HydrophobicContact CG2-CD2 4.39Å; P226-L230 HydrophobicContact CB-CB 4.04Å; P226-L230 HydrophobicContact CB-CD1 4.25Å; P226-L230 HydrophobicContact CG-CB 4.29Å; Q227-L230 WeakPolarHBondContact O-CA 3.39Å; Q227-L230 WeakPolarHBondContact O-CB 3.48Å; Q227-L230 PolarHBondContact O-N 2.59Å; T228-L230 PolarHBondContact O-N 2.96Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-R232 PolarHBondContact O-N 3.26Å; L230-T233 WeakPolarHBondContact O-CB 3.49Å; L230-T233 PolarHBondContact O-N 3.22Å; L230-T233 VanDerWaalsContact O-N 3.09Å; L230-Y234 HydrophobicContact CB-CD2 4.47Å; L230-Y234 HydrophobicContact CB-CE2 4.18Å; L230-Y234 WeakPolarHBondContact O-CD2 3.48Å; L230-Y234 PolarHBondContact O-N 3.1Å |
| 231 | T | 77.5 | Confident | 77.8 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 174.5 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | L222 P226 Q227 T228 T233 Y234 I235 F263 L271 | L222-T231 HydrophobicContact CD2-CG2 4.26Å; P226-T231 PolarHBondContact O-OG1 3.06Å; P226-T231 VanDerWaalsContact O-OG1 3.06Å; Q227-T231 PolarHBondContact O-N 3.44Å; Q227-T231 VanDerWaalsContact O-N 3.14Å; Q227-T231 PolarHBondContact O-OG1 2.94Å; T228-T231 PolarHBondContact O-N 3.17Å; T231-T233 VanDerWaalsContact C-N 3.31Å; T231-T233 PolarHBondContact O-N 2.95Å; T231-Y234 PolarHBondContact O-N 3.47Å; T231-I235 HydrophobicContact CG2-CD1 4.38Å; T231-I235 WeakPolarHBondContact O-CG1 3.4Å; T231-I235 PolarHBondContact O-N 2.78Å; T231-F263 HydrophobicContact CG2-CD1 3.99Å; T231-F263 HydrophobicContact CG2-CE1 3.8Å; T231-F263 HydrophobicContact CG2-CG 4.48Å; T231-F263 HydrophobicContact CG2-CZ 4.08Å; T231-L271 HydrophobicContact CG2-CD1 3.94Å |
| 232 | R | 81.2 | Confident | 77.9 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.6 | -46.3 | 172.5 | -71.2 | 176.2 | -162.1 | 165.9 | 2.6 | 112.1 | T228 L230 I235 Q236 D268 E270 L271 Y274 | T228-R232 WeakPolarHBondContact O-CG 3.04Å; T228-R232 PolarHBondContact O-N 3.42Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-R232 PolarHBondContact O-N 3.26Å; R232-I235 PolarHBondContact O-N 3.31Å; R232-Q236 WeakPolarHBondContact O-CB 3.26Å; R232-Q236 PolarHBondContact O-N 3.3Å; R232-D268 IonicContact CZ-OD1 3.77Å; R232-D268 IonicContact CZ-OD2 3.27Å; R232-D268 IonicContact NE-OD1 2.96Å; R232-D268 IonicContact NE-OD2 2.64Å; R232-D268 PolarHBondContact NE-OD2 3.37Å; R232-D268 IonicContact NH2-OD1 2.68Å; R232-D268 PolarHBondContact NH2-OD1 2.87Å; R232-D268 IonicContact NH2-OD2 2.66Å; R232-D268 PolarHBondContact NH2-OD2 3.29Å; R232-E270 WeakPolarHBondContact CD-OE2 3.48Å; R232-E270 IonicContact CZ-OE2 3.42Å; R232-E270 VanDerWaalsContact CZ-OE2 3.23Å; R232-E270 IonicContact NE-OE2 3.29Å; R232-E270 PolarHBondContact NE-OE2 3.46Å; R232-E270 IonicContact NH1-OE2 3.51Å; R232-E270 PolarHBondContact NH1-OE2 3.32Å; R232-L271 HydrophobicContact CB-CD1 4.49Å; R232-L271 HydrophobicContact CG-CB 4.38Å; R232-L271 HydrophobicContact CG-CD1 3.92Å; R232-Y274 HydrophobicContact CB-CD2 4.1Å; R232-Y274 HydrophobicContact CB-CE2 4.01Å; R232-Y274 HydrophobicContact CG-CD2 4.37Å; R232-Y274 HydrophobicContact CG-CE2 4.34Å |
| 233 | T | 83.6 | Confident | 78.1 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | -179.6 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | L184 R192 I196 S229 L230 T231 Q236 C237 | L184-T233 HydrophobicContact CD2-CG2 4.35Å; R192-T233 HydrophobicContact CB-CG2 3.87Å; R192-T233 HydrophobicContact CG-CG2 4.28Å; R192-T233 PolarHBondContact NE-OG1 3.31Å; I196-T233 HydrophobicContact CD1-CG2 3.91Å; S229-T233 PolarHBondContact O-N 3.47Å; S229-T233 PolarHBondContact O-OG1 3.28Å; L230-T233 WeakPolarHBondContact O-CB 3.49Å; L230-T233 PolarHBondContact O-N 3.22Å; L230-T233 VanDerWaalsContact O-N 3.09Å; T231-T233 VanDerWaalsContact C-N 3.31Å; T231-T233 PolarHBondContact O-N 2.95Å; T233-Q236 PolarHBondContact O-N 2.89Å; T233-C237 WeakPolarHBondContact O-CB 3.4Å; T233-C237 PolarHBondContact O-N 3.1Å |
| 234 | Y | 83.4 | Confident | 78.4 | Confident | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -36.9 | 179.4 | -70.2 | -57.9 | 0 | 0 | 0 | 112.9 | L184 T185 L218 E221 L222 P226 L230 T231 C237 L238 | L184-Y234 HydrophobicContact CB-CE1 4.3Å; L184-Y234 HydrophobicContact CD1-CD1 4.4Å; L184-Y234 HydrophobicContact CD1-CE1 4.13Å; T185-Y234 WeakPolarHBondContact CG2-OH 3.23Å; L218-Y234 HydrophobicContact CD2-CD1 3.62Å; L218-Y234 HydrophobicContact CD2-CE1 4.26Å; E221-Y234 HydrophobicContact CB-CE1 4.26Å; E221-Y234 HydrophobicContact CB-CE2 4.1Å; L222-Y234 HydrophobicContact CD2-CG 4.39Å; P226-Y234 HydrophobicContact CG-CD2 4.27Å; P226-Y234 HydrophobicContact CG-CE2 4.25Å; L230-Y234 HydrophobicContact CB-CD2 4.47Å; L230-Y234 HydrophobicContact CB-CE2 4.18Å; L230-Y234 WeakPolarHBondContact O-CD2 3.48Å; L230-Y234 PolarHBondContact O-N 3.1Å; T231-Y234 PolarHBondContact O-N 3.47Å; Y234-C237 WeakPolarHBondContact O-CB 3.4Å; Y234-C237 PolarHBondContact O-N 3.28Å; Y234-L238 WeakPolarHBondContact O-CB 3.25Å; Y234-L238 PolarHBondContact O-N 3.06Å |
| 235 | I | 83.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 174.3 | -62.6 | -173.5 | 0 | 0 | 0 | 110.9 | L222 T231 R232 C237 L238 A239 F263 L271 | L222-I235 HydrophobicContact CD2-CG1 4.25Å; T231-I235 HydrophobicContact CG2-CD1 4.38Å; T231-I235 WeakPolarHBondContact O-CG1 3.4Å; T231-I235 PolarHBondContact O-N 2.78Å; R232-I235 PolarHBondContact O-N 3.31Å; I235-C237 VanDerWaalsContact C-N 3.28Å; I235-C237 PolarHBondContact O-N 2.85Å; I235-L238 WeakPolarHBondContact O-CB 3.17Å; I235-L238 PolarHBondContact O-N 3.44Å; I235-A239 PolarHBondContact O-N 3.41Å; I235-F263 HydrophobicContact CD1-CB 3.84Å; I235-F263 HydrophobicContact CD1-CD2 3.87Å; I235-F263 HydrophobicContact CD1-CG 3.98Å; I235-L271 HydrophobicContact CD1-CD1 3.54Å; I235-L271 HydrophobicContact CD1-CG 4.15Å; I235-L271 HydrophobicContact CG1-CD1 4.39Å |
| 236 | Q | 84.4 | Confident | 78.6 | Confident | 34 Ų | 34 | 33.3 Ų | 33.3 | 16% | 0.159 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 174 | -170.4 | -176.3 | 17 | 0 | 0 | 111.8 | I196 R232 T233 T240 Y274 | I196-Q236 HydrophobicContact CD1-CB 4Å; I196-Q236 HydrophobicContact CD1-CG 4.02Å; R232-Q236 WeakPolarHBondContact O-CB 3.26Å; R232-Q236 PolarHBondContact O-N 3.3Å; T233-Q236 PolarHBondContact O-N 2.89Å; Q236-T240 PolarHBondContact O-N 3.16Å; Q236-T240 VanDerWaalsContact O-N 3.13Å; Q236-T240 PolarHBondContact O-OG1 3.47Å; Q236-Y274 HydrophobicContact CB-CD1 4.36Å; Q236-Y274 HydrophobicContact CB-CG 4.43Å; Q236-Y274 HydrophobicContact CG-CD1 4.39Å; Q236-Y274 HydrophobicContact CG-CE1 4.33Å |
| 237 | C | 84.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -51.1 | 171.2 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | I196 L218 T233 Y234 I235 A239 T240 V241 | I196-C237 HydrophobicContact CD1-CB 4.39Å; I196-C237 HydrophobicContact CG1-CB 3.97Å; L218-C237 HydrophobicContact CD2-CB 4.38Å; T233-C237 WeakPolarHBondContact O-CB 3.4Å; T233-C237 PolarHBondContact O-N 3.1Å; Y234-C237 WeakPolarHBondContact O-CB 3.4Å; Y234-C237 PolarHBondContact O-N 3.28Å; I235-C237 VanDerWaalsContact C-N 3.28Å; I235-C237 PolarHBondContact O-N 2.85Å; C237-A239 PolarHBondContact O-N 3.35Å; C237-T240 PolarHBondContact O-N 2.86Å; C237-T240 VanDerWaalsContact O-N 3.09Å; C237-V241 WeakPolarHBondContact O-CB 3.38Å; C237-V241 VanDerWaalsContact O-CG2 3.25Å; C237-V241 WeakPolarHBondContact O-CG2 3.44Å; C237-V241 PolarHBondContact O-N 3.22Å |
| 238 | L | 83.2 | Confident | 78.6 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 177.8 | -179.6 | 63.8 | 0 | 0 | 0 | 112.2 | Y234 I235 T240 V241 S242 L256 V260 F282 | Y234-L238 WeakPolarHBondContact O-CB 3.25Å; Y234-L238 PolarHBondContact O-N 3.06Å; I235-L238 WeakPolarHBondContact O-CB 3.17Å; I235-L238 PolarHBondContact O-N 3.44Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 2.84Å; L238-V241 PolarHBondContact O-N 3.33Å; L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.21Å; L238-S242 PolarHBondContact O-OG 3.42Å; L238-L256 HydrophobicContact CD1-CD1 4Å; L238-L256 HydrophobicContact CD1-CD2 3.76Å; L238-L256 HydrophobicContact CD1-CG 4.49Å; L238-L256 HydrophobicContact CD2-CD2 3.95Å; L238-V260 HydrophobicContact CD2-CG2 3.79Å; L238-F282 HydrophobicContact CD2-CZ 4.2Å; L238-F282 HydrophobicContact CG-CZ 4.26Å |
| 239 | A | 82.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I235 C237 S242 R243 Q277 A278 | I235-A239 PolarHBondContact O-N 3.41Å; C237-A239 PolarHBondContact O-N 3.35Å; A239-S242 PolarHBondContact O-N 3.15Å; A239-R243 WeakPolarHBondContact O-CG 3.24Å; A239-R243 PolarHBondContact O-N 3.1Å; A239-Q277 HydrophobicContact CB-CB 4.49Å; A239-A278 HydrophobicContact CB-CB 4.05Å |
| 240 | T | 83.5 | Confident | 78.6 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -73.2 | -43.9 | 179.4 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | I196 Q236 C237 L238 S242 R243 Q244 | I196-T240 HydrophobicContact CG2-CG2 4Å; Q236-T240 PolarHBondContact O-N 3.16Å; Q236-T240 VanDerWaalsContact O-N 3.13Å; Q236-T240 PolarHBondContact O-OG1 3.47Å; C237-T240 PolarHBondContact O-N 2.86Å; C237-T240 VanDerWaalsContact O-N 3.09Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 2.84Å; T240-S242 PolarHBondContact O-N 3.35Å; T240-R243 PolarHBondContact O-N 3.45Å; T240-R243 PolarHBondContact OG1-NH2 2.96Å; T240-Q244 PolarHBondContact O-N 2.94Å; T240-Q244 VanDerWaalsContact O-N 3.12Å |
| 241 | V | 83.5 | Confident | 78.4 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.2 | -38 | 171.7 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | V203 F211 L214 L218 C237 L238 G245 | V203-V241 HydrophobicContact CG1-CG1 4.27Å; V203-V241 HydrophobicContact CG2-CG1 4.11Å; V203-V241 HydrophobicContact CG2-CG2 4.16Å; F211-V241 HydrophobicContact CE2-CG1 3.79Å; F211-V241 HydrophobicContact CZ-CG1 4.28Å; L214-V241 HydrophobicContact CD2-CG2 4.17Å; L218-V241 HydrophobicContact CD1-CG2 4.46Å; C237-V241 WeakPolarHBondContact O-CB 3.38Å; C237-V241 VanDerWaalsContact O-CG2 3.25Å; C237-V241 WeakPolarHBondContact O-CG2 3.44Å; C237-V241 PolarHBondContact O-N 3.22Å; L238-V241 PolarHBondContact O-N 3.33Å; V241-G245 VanDerWaalsContact O-CA 3.31Å; V241-G245 WeakPolarHBondContact O-CA 3.33Å; V241-G245 PolarHBondContact O-N 3.49Å |
| 242 | S | 79.3 | Confident | 78.2 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.7 | -39.5 | 179.8 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | L238 A239 T240 Q244 G246 F282 | L238-S242 VanDerWaalsContact O-CB 3.28Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.21Å; L238-S242 PolarHBondContact O-OG 3.42Å; A239-S242 PolarHBondContact O-N 3.15Å; T240-S242 PolarHBondContact O-N 3.35Å; S242-Q244 VanDerWaalsContact C-N 3.33Å; S242-Q244 PolarHBondContact O-N 2.98Å; S242-G246 PolarHBondContact O-N 3.34Å; S242-F282 WeakPolarHBondContact OG-CE1 3.37Å |
| 243 | R | 80.5 | Confident | 77.8 | Confident | 124 Ų | 124 | 30.1 Ų | 30.1 | 47% | 0.468 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 175.2 | -76.6 | -175 | -71.1 | -176.4 | 0.5 | 112.3 | A239 T240 A281 K285 | A239-R243 WeakPolarHBondContact O-CG 3.24Å; A239-R243 PolarHBondContact O-N 3.1Å; T240-R243 PolarHBondContact O-N 3.45Å; T240-R243 PolarHBondContact OG1-NH2 2.96Å; R243-A281 HydrophobicContact CG-CB 3.65Å; R243-K285 WeakPolarHBondContact O-CE 3.46Å |
| 244 | Q | 79.8 | Confident | 77.4 | Confident | 90 Ų | 90 | 37.3 Ų | 37.3 | 42% | 0.421 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -92.5 | -32.4 | -176.5 | -59 | -65.2 | 19.3 | 0 | 0 | 114 | G200 T240 S242 | G200-Q244 VanDerWaalsContact O-CB 3.27Å; G200-Q244 WeakPolarHBondContact O-CB 3.41Å; G200-Q244 WeakPolarHBondContact O-CG 3.3Å; T240-Q244 PolarHBondContact O-N 2.94Å; T240-Q244 VanDerWaalsContact O-N 3.12Å; S242-Q244 VanDerWaalsContact C-N 3.33Å; S242-Q244 PolarHBondContact O-N 2.98Å |
| 245 | G | 71.1 | Confident | 77.1 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.3 | -18.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V241 H247 R248 | V241-G245 VanDerWaalsContact O-CA 3.31Å; V241-G245 WeakPolarHBondContact O-CA 3.33Å; V241-G245 PolarHBondContact O-N 3.49Å; G245-H247 PolarHBondContact O-N 3.26Å; G245-R248 WeakPolarHBondContact O-CB 3.47Å; G245-R248 PolarHBondContact O-N 2.9Å |
| 246 | G | 72.9 | Confident | 76.8 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | 56.9 | -127.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S242 R248 V249 C286 | S242-G246 PolarHBondContact O-N 3.34Å; G246-R248 PolarHBondContact O-N 3.36Å; G246-V249 PolarHBondContact O-N 2.89Å; G246-C286 PolarHBondContact O-SG 3.29Å |
| 247 | H | 67.4 | Low | 76.5 | Confident | 89 Ų | 89 | 43 Ų | 43 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -66 | -20.3 | -178.1 | 65.6 | -83.4 | 0 | 0 | 0 | 114.3 | G245 V249 G250 | G245-H247 PolarHBondContact O-N 3.26Å; H247-V249 PolarHBondContact O-N 2.81Å; H247-G250 PolarHBondContact O-N 2.77Å |
| 248 | R | 69.7 | Low | 76.3 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -68.2 | -24.3 | -177.4 | -61.1 | 170.5 | 60.9 | 173.4 | 8.4 | 112.8 | V203 C206 S207 F211 G245 G246 G250 | V203-R248 PolarHBondContact O-NH1 3.3Å; C206-R248 VanDerWaalsContact O-CZ 3.26Å; C206-R248 PolarHBondContact O-NH1 3.48Å; C206-R248 PolarHBondContact O-NH2 2.91Å; S207-R248 PolarHBondContact O-NH2 3.05Å; F211-R248 HydrophobicContact CD1-CB 4.23Å; F211-R248 HydrophobicContact CE1-CB 3.93Å; F211-R248 VanDerWaalsContact CE1-O 3.27Å; F211-R248 WeakPolarHBondContact CE1-O 3.48Å; F211-R248 HydrophobicContact CZ-CB 4.14Å; G245-R248 WeakPolarHBondContact O-CB 3.47Å; G245-R248 PolarHBondContact O-N 2.9Å; G246-R248 PolarHBondContact O-N 3.36Å; R248-G250 PolarHBondContact O-N 3.29Å |
| 249 | V | 72.9 | Confident | 76 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -69.4 | -22.3 | 176.6 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | F211 G246 H247 E251 H252 L253 L256 F282 | F211-V249 HydrophobicContact CE2-CG2 4.45Å; F211-V249 HydrophobicContact CZ-CB 4.35Å; F211-V249 HydrophobicContact CZ-CG2 3.69Å; G246-V249 PolarHBondContact O-N 2.89Å; H247-V249 PolarHBondContact O-N 2.81Å; V249-E251 PolarHBondContact O-N 3.1Å; V249-H252 PolarHBondContact O-N 3.07Å; V249-L253 HydrophobicContact CG1-CD2 3.75Å; V249-L253 HydrophobicContact CG1-CG 4.26Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 3.45Å; V249-L256 HydrophobicContact CG1-CD1 4.14Å; V249-F282 HydrophobicContact CG1-CE1 4.12Å |
| 250 | G | 69.9 | Low | 75.8 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.4 | -47.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | H247 R248 H252 L253 E289 | H247-G250 PolarHBondContact O-N 2.77Å; R248-G250 PolarHBondContact O-N 3.29Å; G250-H252 PolarHBondContact O-N 3.37Å; G250-H252 VanDerWaalsContact O-N 3.07Å; G250-L253 WeakPolarHBondContact O-CB 3.12Å; G250-L253 PolarHBondContact O-N 3.46Å; G250-E289 WeakPolarHBondContact CA-OE1 3.45Å; G250-E289 WeakPolarHBondContact CA-OE2 3.45Å |
| 251 | E | 73.1 | Confident | 75.7 | Confident | 155 Ų | 155 | 49 Ų | 49 | 72% | 0.724 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.1 | -21.1 | 179.2 | -61.2 | -177.9 | 176.4 | 0 | 0 | 113.5 | V249 | V249-E251 PolarHBondContact O-N 3.1Å |
| 252 | H | 72.9 | Confident | 75.6 | Confident | 30 Ų | 30 | 56.1 Ų | 56.1 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -105.9 | -5.2 | -179.1 | -59.9 | -48.7 | 0 | 0 | 0 | 113 | S212 T215 V249 G250 E254 K255 L256 | S212-H252 PolarHBondContact OG-NE2 3.19Å; T215-H252 HydrophobicContact CG2-CB 3.84Å; V249-H252 PolarHBondContact O-N 3.07Å; G250-H252 PolarHBondContact O-N 3.37Å; G250-H252 VanDerWaalsContact O-N 3.07Å; H252-E254 VanDerWaalsContact C-N 3.34Å; H252-E254 PolarHBondContact O-N 2.94Å; H252-K255 PolarHBondContact O-N 3.32Å; H252-L256 HydrophobicContact CB-CD1 4.05Å; H252-L256 WeakPolarHBondContact O-CG 3.19Å; H252-L256 PolarHBondContact O-N 3.48Å |
| 253 | L | 72.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -36.7 | -176 | -75.1 | 179.9 | 0 | 0 | 0 | 113.2 | V249 G250 K255 L256 I257 F282 C286 E289 | V249-L253 HydrophobicContact CG1-CD2 3.75Å; V249-L253 HydrophobicContact CG1-CG 4.26Å; V249-L253 WeakPolarHBondContact O-CG 3.41Å; V249-L253 PolarHBondContact O-N 3.45Å; G250-L253 WeakPolarHBondContact O-CB 3.12Å; G250-L253 PolarHBondContact O-N 3.46Å; L253-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact O-N 3.16Å; L253-L256 PolarHBondContact O-N 2.95Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L253-I257 HydrophobicContact CB-CD1 4.06Å; L253-I257 VanDerWaalsContact O-CG1 3.3Å; L253-I257 WeakPolarHBondContact O-CG1 3.23Å; L253-I257 PolarHBondContact O-N 3.48Å; L253-F282 HydrophobicContact CD2-CB 4.46Å; L253-F282 HydrophobicContact CD2-CD1 3.42Å; L253-F282 VanDerWaalsContact CD2-CD1 3.42Å; L253-F282 HydrophobicContact CD2-CD2 4.4Å; L253-F282 HydrophobicContact CD2-CE1 3.57Å; L253-F282 HydrophobicContact CD2-CG 3.88Å; L253-F282 HydrophobicContact CD2-CZ 4.21Å; L253-C286 HydrophobicContact CD1-CB 3.75Å; L253-E289 HydrophobicContact CD1-CB 4.08Å |
| 254 | E | 76.5 | Confident | 75.1 | Confident | 157 Ų | 157 | 51 Ų | 51 | 73% | 0.734 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -57.6 | -32.2 | 179.6 | -65.5 | -174.7 | 168.4 | 0 | 0 | 112.8 | H252 P258 | H252-E254 VanDerWaalsContact C-N 3.34Å; H252-E254 PolarHBondContact O-N 2.94Å; E254-P258 WeakPolarHBondContact O-CD 3.39Å; E254-P258 WeakPolarHBondContact O-CG 3.31Å |
| 255 | K | 76 | Confident | 74.8 | Confident | 154 Ų | 154 | 51.1 Ų | 51.1 | 67% | 0.67 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -89.9 | -32.6 | 178.3 | -65.1 | -179.9 | -176.9 | 173.5 | 0 | 112.5 | H252 L253 | H252-K255 PolarHBondContact O-N 3.32Å; L253-K255 PolarHBondContact O-N 2.97Å; L253-K255 VanDerWaalsContact O-N 3.16Å |
| 256 | L | 77.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.6 | -42.8 | -177.9 | -71.8 | 165.9 | 0 | 0 | 0 | 112.3 | T215 L219 L238 V249 H252 L253 M259 V260 | T215-L256 HydrophobicContact CG2-CD1 4.31Å; L219-L256 HydrophobicContact CD2-CD2 3.42Å; L219-L256 VanDerWaalsContact CD2-CD2 3.42Å; L219-L256 HydrophobicContact CD2-CG 4.1Å; L219-L256 HydrophobicContact CG-CD2 3.98Å; L238-L256 HydrophobicContact CD1-CD1 4Å; L238-L256 HydrophobicContact CD1-CD2 3.76Å; L238-L256 HydrophobicContact CD1-CG 4.49Å; L238-L256 HydrophobicContact CD2-CD2 3.95Å; V249-L256 HydrophobicContact CG1-CD1 4.14Å; H252-L256 HydrophobicContact CB-CD1 4.05Å; H252-L256 WeakPolarHBondContact O-CG 3.19Å; H252-L256 PolarHBondContact O-N 3.48Å; L253-L256 PolarHBondContact O-N 2.95Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L256-M259 WeakPolarHBondContact O-CB 3.33Å; L256-M259 PolarHBondContact O-N 3.45Å; L256-M259 VanDerWaalsContact O-N 3.16Å; L256-V260 WeakPolarHBondContact O-CG2 3.32Å; L256-V260 PolarHBondContact O-N 3.29Å |
| 257 | I | 78.2 | Confident | 74.9 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -50 | -173.7 | -66.3 | 163 | 0 | 0 | 0 | 112.1 | L253 M259 V260 V261 M290 H293 | L253-I257 HydrophobicContact CB-CD1 4.06Å; L253-I257 VanDerWaalsContact O-CG1 3.3Å; L253-I257 WeakPolarHBondContact O-CG1 3.23Å; L253-I257 PolarHBondContact O-N 3.48Å; I257-M259 PolarHBondContact O-N 3.4Å; I257-V260 PolarHBondContact O-N 2.95Å; I257-V261 HydrophobicContact CG2-CG2 4.27Å; I257-V261 VanDerWaalsContact O-CG2 3.28Å; I257-V261 WeakPolarHBondContact O-CG2 3.31Å; I257-V261 PolarHBondContact O-N 3.2Å; I257-M290 HydrophobicContact CD1-CE 4.38Å; I257-M290 HydrophobicContact CD1-SD 3.48Å; I257-M290 WeakPolarHBondContact CD1-SD 3.38Å; I257-M290 HydrophobicContact CG1-SD 4.24Å; I257-H293 HydrophobicContact CD1-CB 4.25Å; I257-H293 VanDerWaalsContact CD1-CD2 3.42Å; I257-H293 WeakPolarHBondContact CD1-CD2 3.38Å; I257-H293 HydrophobicContact CG2-CB 4.01Å |
| 258 | P | 79.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -30.9 | 177.8 | -23.5 | 34.6 | 0 | 0 | 0 | 113 | E254 K262 | E254-P258 WeakPolarHBondContact O-CD 3.39Å; E254-P258 WeakPolarHBondContact O-CG 3.31Å; P258-K262 WeakPolarHBondContact O-CG 3.22Å; P258-K262 PolarHBondContact O-N 2.85Å; P258-K262 VanDerWaalsContact O-N 3.08Å |
| 259 | M | 76 | Confident | 75.7 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.4 | -46.1 | 178.3 | -175.2 | 178.1 | -71 | 0 | 0 | 111.5 | L219 L222 A223 L256 I257 V261 K262 F263 | L219-M259 HydrophobicContact CD2-CE 4.06Å; L219-M259 HydrophobicContact CD2-SD 4.11Å; L222-M259 HydrophobicContact CB-SD 3.54Å; L222-M259 VanDerWaalsContact CB-SD 3.54Å; L222-M259 HydrophobicContact CD1-SD 4.15Å; L222-M259 HydrophobicContact CG-SD 4.48Å; A223-M259 HydrophobicContact CB-CE 4.27Å; L256-M259 WeakPolarHBondContact O-CB 3.33Å; L256-M259 PolarHBondContact O-N 3.45Å; L256-M259 VanDerWaalsContact O-N 3.16Å; I257-M259 PolarHBondContact O-N 3.4Å; M259-V261 VanDerWaalsContact C-N 3.32Å; M259-V261 PolarHBondContact O-N 3.24Å; M259-K262 WeakPolarHBondContact O-CB 3.46Å; M259-K262 PolarHBondContact O-N 2.94Å; M259-F263 HydrophobicContact CG-CD2 4.09Å; M259-F263 HydrophobicContact CG-CE2 3.52Å; M259-F263 HydrophobicContact CG-CZ 4.4Å; M259-F263 WeakPolarHBondContact O-CD2 3.43Å; M259-F263 PolarHBondContact O-N 3.28Å; M259-F263 VanDerWaalsContact O-N 3.14Å; M259-F263 HydrophobicContact SD-CE2 4.28Å |
| 260 | V | 79.4 | Confident | 76 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | L238 L256 I257 K262 F263 T264 C275 F279 | L238-V260 HydrophobicContact CD2-CG2 3.79Å; L256-V260 WeakPolarHBondContact O-CG2 3.32Å; L256-V260 PolarHBondContact O-N 3.29Å; I257-V260 PolarHBondContact O-N 2.95Å; V260-K262 VanDerWaalsContact C-N 3.34Å; V260-K262 PolarHBondContact O-N 2.96Å; V260-F263 PolarHBondContact O-N 3.34Å; V260-F263 VanDerWaalsContact O-N 3.14Å; V260-T264 WeakPolarHBondContact O-CG2 3.24Å; V260-T264 PolarHBondContact O-N 3.01Å; V260-T264 VanDerWaalsContact O-N 3.09Å; V260-C275 HydrophobicContact CG1-CB 3.75Å; V260-F279 HydrophobicContact CB-CE1 4.11Å; V260-F279 HydrophobicContact CB-CZ 4.13Å; V260-F279 HydrophobicContact CG1-CD1 4.44Å; V260-F279 HydrophobicContact CG1-CE1 3.77Å; V260-F279 HydrophobicContact CG1-CE2 4.09Å; V260-F279 HydrophobicContact CG1-CZ 3.56Å |
| 261 | V | 81.2 | Confident | 76.5 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | I257 M259 F263 T264 F279 L300 | I257-V261 HydrophobicContact CG2-CG2 4.27Å; I257-V261 VanDerWaalsContact O-CG2 3.28Å; I257-V261 WeakPolarHBondContact O-CG2 3.31Å; I257-V261 PolarHBondContact O-N 3.2Å; M259-V261 VanDerWaalsContact C-N 3.32Å; M259-V261 PolarHBondContact O-N 3.24Å; V261-F263 VanDerWaalsContact C-N 3.32Å; V261-F263 PolarHBondContact O-N 3.46Å; V261-T264 PolarHBondContact O-N 3.07Å; V261-T264 PolarHBondContact O-OG1 3.34Å; V261-F279 HydrophobicContact CG2-CE1 4.29Å; V261-F279 HydrophobicContact CG2-CZ 3.77Å; V261-L300 HydrophobicContact CG1-CD1 4.15Å; V261-L300 HydrophobicContact CG2-CD1 4.1Å |
| 262 | K | 80.9 | Confident | 76.9 | Confident | 150 Ų | 150 | 54 Ų | 54 | 65% | 0.652 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 173.9 | -74.6 | 173.3 | -176.5 | -175.7 | 0 | 111.8 | P258 M259 V260 T264 S265 | P258-K262 WeakPolarHBondContact O-CG 3.22Å; P258-K262 PolarHBondContact O-N 2.85Å; P258-K262 VanDerWaalsContact O-N 3.08Å; M259-K262 WeakPolarHBondContact O-CB 3.46Å; M259-K262 PolarHBondContact O-N 2.94Å; V260-K262 VanDerWaalsContact C-N 3.34Å; V260-K262 PolarHBondContact O-N 2.96Å; K262-T264 VanDerWaalsContact C-N 3.28Å; K262-T264 PolarHBondContact O-N 3.2Å; K262-S265 WeakPolarHBondContact O-CB 3.45Å; K262-S265 PolarHBondContact O-N 2.84Å; K262-S265 VanDerWaalsContact O-N 3.09Å; K262-S265 PolarHBondContact O-OG 3.04Å |
| 263 | F | 77.5 | Confident | 77.4 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.7 | -23.5 | 179.3 | -68.1 | -55.5 | 0 | 0 | 0 | 113.8 | L222 T231 I235 M259 V260 V261 S265 V266 L271 | L222-F263 HydrophobicContact CB-CE2 4.39Å; L222-F263 HydrophobicContact CD2-CE2 4.07Å; L222-F263 HydrophobicContact CD2-CZ 4.41Å; T231-F263 HydrophobicContact CG2-CD1 3.99Å; T231-F263 HydrophobicContact CG2-CE1 3.8Å; T231-F263 HydrophobicContact CG2-CG 4.48Å; T231-F263 HydrophobicContact CG2-CZ 4.08Å; I235-F263 HydrophobicContact CD1-CB 3.84Å; I235-F263 HydrophobicContact CD1-CD2 3.87Å; I235-F263 HydrophobicContact CD1-CG 3.98Å; M259-F263 HydrophobicContact CG-CD2 4.09Å; M259-F263 HydrophobicContact CG-CE2 3.52Å; M259-F263 HydrophobicContact CG-CZ 4.4Å; M259-F263 WeakPolarHBondContact O-CD2 3.43Å; M259-F263 PolarHBondContact O-N 3.28Å; M259-F263 VanDerWaalsContact O-N 3.14Å; M259-F263 HydrophobicContact SD-CE2 4.28Å; V260-F263 PolarHBondContact O-N 3.34Å; V260-F263 VanDerWaalsContact O-N 3.14Å; V261-F263 VanDerWaalsContact C-N 3.32Å; V261-F263 PolarHBondContact O-N 3.46Å; F263-S265 PolarHBondContact O-N 3.27Å; F263-V266 HydrophobicContact CD1-CG2 4.47Å; F263-V266 PolarHBondContact O-N 3.38Å; F263-L271 HydrophobicContact CB-CD2 4.17Å; F263-L271 HydrophobicContact CD1-CD2 4.48Å |
| 264 | T | 72.3 | Confident | 77.9 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -20.8 | 171.1 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | V260 V261 K262 V266 C275 F279 F304 | V260-T264 WeakPolarHBondContact O-CG2 3.24Å; V260-T264 PolarHBondContact O-N 3.01Å; V260-T264 VanDerWaalsContact O-N 3.09Å; V261-T264 PolarHBondContact O-N 3.07Å; V261-T264 PolarHBondContact O-OG1 3.34Å; K262-T264 VanDerWaalsContact C-N 3.28Å; K262-T264 PolarHBondContact O-N 3.2Å; T264-V266 VanDerWaalsContact C-N 3.34Å; T264-C275 HydrophobicContact CG2-CB 3.55Å; T264-F279 HydrophobicContact CG2-CE2 3.94Å; T264-F279 HydrophobicContact CG2-CZ 4.44Å; T264-F304 WeakPolarHBondContact O-CZ 3.39Å |
| 265 | S | 72.7 | Confident | 78.3 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.3 | 178.2 | 71.3 | 0 | 0 | 0 | 0 | 114 | K262 F263 | K262-S265 WeakPolarHBondContact O-CB 3.45Å; K262-S265 PolarHBondContact O-N 2.84Å; K262-S265 VanDerWaalsContact O-N 3.09Å; K262-S265 PolarHBondContact O-OG 3.04Å; F263-S265 PolarHBondContact O-N 3.27Å |
| 266 | V | 78.7 | Confident | 78.6 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -75 | 140.5 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | F263 T264 D268 L271 R272 | F263-V266 HydrophobicContact CD1-CG2 4.47Å; F263-V266 PolarHBondContact O-N 3.38Å; T264-V266 VanDerWaalsContact C-N 3.34Å; V266-D268 HydrophobicContact CG1-CB 4.39Å; V266-D268 PolarHBondContact O-N 3.41Å; V266-L271 HydrophobicContact CB-CD2 3.97Å; V266-L271 HydrophobicContact CG1-CD2 4.19Å; V266-L271 HydrophobicContact CG2-CD2 4.36Å; V266-R272 PolarHBondContact O-NE 2.98Å; V266-R272 PolarHBondContact O-NH2 3.05Å |
| 267 | E | 68.3 | Low | 79 | Confident | 185 Ų | 185 | 42.5 Ų | 42.5 | 86% | 0.864 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -78.8 | 71 | 177.4 | -66.1 | -178 | 172.9 | 0 | 0 | 110.9 | ||
| 268 | D | 78.3 | Confident | 79.2 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | trans | -150 | 114.7 | 174.9 | -178.9 | 22.1 | 0 | 0 | 0 | 110.5 | T228 R232 V266 L271 R272 | T228-D268 HydrophobicContact CG2-CB 4.31Å; T228-D268 WeakPolarHBondContact CG2-OD2 3.43Å; R232-D268 IonicContact CZ-OD1 3.77Å; R232-D268 IonicContact CZ-OD2 3.27Å; R232-D268 IonicContact NE-OD1 2.96Å; R232-D268 IonicContact NE-OD2 2.64Å; R232-D268 PolarHBondContact NE-OD2 3.37Å; R232-D268 IonicContact NH2-OD1 2.68Å; R232-D268 PolarHBondContact NH2-OD1 2.87Å; R232-D268 IonicContact NH2-OD2 2.66Å; R232-D268 PolarHBondContact NH2-OD2 3.29Å; V266-D268 HydrophobicContact CG1-CB 4.39Å; V266-D268 PolarHBondContact O-N 3.41Å; D268-L271 HydrophobicContact CB-CB 3.92Å; D268-L271 PolarHBondContact O-N 3.29Å; D268-L271 WeakPolarHBondContact OD2-CB 3.45Å; D268-R272 WeakPolarHBondContact O-CG 3.45Å; D268-R272 PolarHBondContact O-N 3.1Å; D268-R272 VanDerWaalsContact O-N 3.11Å | ||
| 269 | D | 76.3 | Confident | 79.4 | Confident | 39 Ų | 39 | 39.5 Ų | 39.5 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.2 | -33.5 | -170.8 | -69.3 | -29.8 | 0 | 0 | 0 | 113.2 | L271 R272 E273 M343 V347 | D269-L271 VanDerWaalsContact C-N 3.33Å; D269-L271 PolarHBondContact O-N 3.46Å; D269-R272 PolarHBondContact O-N 3.12Å; D269-R272 IonicContact OD1-CZ 2.62Å; D269-R272 IonicContact OD1-NH1 3.51Å; D269-R272 PolarHBondContact OD1-NH1 3.43Å; D269-E273 PolarHBondContact O-N 3.25Å; D269-M343 HydrophobicContact CB-CB 4.09Å; D269-V347 HydrophobicContact CB-CG2 3.73Å; D269-V347 WeakPolarHBondContact O-CG2 3.34Å |
| 270 | E | 77.9 | Confident | 79.7 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -37.9 | 173.5 | -66.4 | -168.5 | 156.5 | 0 | 0 | 111.8 | R232 E273 Y274 | R232-E270 WeakPolarHBondContact CD-OE2 3.48Å; R232-E270 IonicContact CZ-OE2 3.42Å; R232-E270 VanDerWaalsContact CZ-OE2 3.23Å; R232-E270 IonicContact NE-OE2 3.29Å; R232-E270 PolarHBondContact NE-OE2 3.46Å; R232-E270 IonicContact NH1-OE2 3.51Å; R232-E270 PolarHBondContact NH1-OE2 3.32Å; E270-E273 PolarHBondContact O-N 3.48Å; E270-Y274 HydrophobicContact CB-CE2 4.42Å; E270-Y274 WeakPolarHBondContact O-CD2 3.28Å; E270-Y274 PolarHBondContact O-N 3.32Å |
| 271 | L | 80.7 | Confident | 79.8 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 178.1 | -168.9 | 72.1 | 0 | 0 | 0 | 111 | T231 R232 I235 F263 V266 D268 D269 Y274 C275 | T231-L271 HydrophobicContact CG2-CD1 3.94Å; R232-L271 HydrophobicContact CB-CD1 4.49Å; R232-L271 HydrophobicContact CG-CB 4.38Å; R232-L271 HydrophobicContact CG-CD1 3.92Å; I235-L271 HydrophobicContact CD1-CD1 3.54Å; I235-L271 HydrophobicContact CD1-CG 4.15Å; I235-L271 HydrophobicContact CG1-CD1 4.39Å; F263-L271 HydrophobicContact CB-CD2 4.17Å; F263-L271 HydrophobicContact CD1-CD2 4.48Å; V266-L271 HydrophobicContact CB-CD2 3.97Å; V266-L271 HydrophobicContact CG1-CD2 4.19Å; V266-L271 HydrophobicContact CG2-CD2 4.36Å; D268-L271 HydrophobicContact CB-CB 3.92Å; D268-L271 PolarHBondContact O-N 3.29Å; D268-L271 WeakPolarHBondContact OD2-CB 3.45Å; D269-L271 VanDerWaalsContact C-N 3.33Å; D269-L271 PolarHBondContact O-N 3.46Å; L271-Y274 PolarHBondContact O-N 3.03Å; L271-C275 PolarHBondContact O-N 2.99Å; L271-C275 PolarHBondContact O-SG 3.14Å |
| 272 | R | 81.8 | Confident | 79.8 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176 | -70.4 | 166.4 | -178.1 | 173.1 | -6.7 | 111.5 | V266 D268 D269 Y274 C275 F276 F304 V347 | V266-R272 PolarHBondContact O-NE 2.98Å; V266-R272 PolarHBondContact O-NH2 3.05Å; D268-R272 WeakPolarHBondContact O-CG 3.45Å; D268-R272 PolarHBondContact O-N 3.1Å; D268-R272 VanDerWaalsContact O-N 3.11Å; D269-R272 PolarHBondContact O-N 3.12Å; D269-R272 IonicContact OD1-CZ 2.62Å; D269-R272 IonicContact OD1-NH1 3.51Å; D269-R272 PolarHBondContact OD1-NH1 3.43Å; R272-Y274 PolarHBondContact O-N 3.21Å; R272-C275 WeakPolarHBondContact O-CB 3.43Å; R272-C275 PolarHBondContact O-N 3.27Å; R272-F276 WeakPolarHBondContact O-CD2 3.27Å; R272-F276 PolarHBondContact O-N 2.7Å; R272-F276 VanDerWaalsContact O-N 3.07Å; R272-F304 HydrophobicContact CG-CE1 4.47Å; R272-V347 HydrophobicContact CB-CG1 3.96Å; R272-V347 HydrophobicContact CB-CG2 3.89Å |
| 273 | E | 82.4 | Confident | 79.7 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 17% | 0.173 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.6 | -50.7 | 174.7 | -171.5 | -166 | 160 | 0 | 0 | 111.3 | D269 E270 C275 F276 Q277 K346 | D269-E273 PolarHBondContact O-N 3.25Å; E270-E273 PolarHBondContact O-N 3.48Å; E273-C275 VanDerWaalsContact C-N 3.29Å; E273-C275 PolarHBondContact O-N 2.95Å; E273-F276 PolarHBondContact O-N 3.22Å; E273-Q277 WeakPolarHBondContact O-CG 3.29Å; E273-Q277 PolarHBondContact O-N 2.93Å; E273-Q277 PolarHBondContact OE1-NE2 3.44Å; E273-K346 HydrophobicContact CG-CB 4.46Å |
| 274 | Y | 83.6 | Confident | 79.7 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -32.3 | 179.8 | -61.7 | -43.6 | 0 | 0 | 0 | 112.9 | R232 Q236 E270 L271 R272 Q277 A278 | R232-Y274 HydrophobicContact CB-CD2 4.1Å; R232-Y274 HydrophobicContact CB-CE2 4.01Å; R232-Y274 HydrophobicContact CG-CD2 4.37Å; R232-Y274 HydrophobicContact CG-CE2 4.34Å; Q236-Y274 HydrophobicContact CB-CD1 4.36Å; Q236-Y274 HydrophobicContact CB-CG 4.43Å; Q236-Y274 HydrophobicContact CG-CD1 4.39Å; Q236-Y274 HydrophobicContact CG-CE1 4.33Å; E270-Y274 HydrophobicContact CB-CE2 4.42Å; E270-Y274 WeakPolarHBondContact O-CD2 3.28Å; E270-Y274 PolarHBondContact O-N 3.32Å; L271-Y274 PolarHBondContact O-N 3.03Å; R272-Y274 PolarHBondContact O-N 3.21Å; Y274-Q277 PolarHBondContact O-N 3.44Å; Y274-A278 PolarHBondContact O-N 2.93Å |
| 275 | C | 84.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | V260 T264 L271 R272 E273 A278 F279 | V260-C275 HydrophobicContact CG1-CB 3.75Å; T264-C275 HydrophobicContact CG2-CB 3.55Å; L271-C275 PolarHBondContact O-N 2.99Å; L271-C275 PolarHBondContact O-SG 3.14Å; R272-C275 WeakPolarHBondContact O-CB 3.43Å; R272-C275 PolarHBondContact O-N 3.27Å; E273-C275 VanDerWaalsContact C-N 3.29Å; E273-C275 PolarHBondContact O-N 2.95Å; C275-A278 WeakPolarHBondContact O-CB 3.5Å; C275-A278 PolarHBondContact O-N 3.04Å; C275-F279 WeakPolarHBondContact O-CD2 3.49Å; C275-F279 PolarHBondContact O-N 3.33Å |
| 276 | F | 83.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.2 | -36.3 | 177.3 | -75.4 | -63.4 | 0 | 0 | 0 | 113 | R272 E273 A278 F279 E280 C301 F304 V347 S350 A351 C354 | R272-F276 WeakPolarHBondContact O-CD2 3.27Å; R272-F276 PolarHBondContact O-N 2.7Å; R272-F276 VanDerWaalsContact O-N 3.07Å; E273-F276 PolarHBondContact O-N 3.22Å; F276-A278 VanDerWaalsContact C-N 3.28Å; F276-A278 PolarHBondContact O-N 3Å; F276-F279 HydrophobicContact CD1-CD2 4.02Å; F276-F279 HydrophobicContact CE1-CD2 4.42Å; F276-F279 PolarHBondContact O-N 3.4Å; F276-E280 WeakPolarHBondContact O-CB 3.14Å; F276-E280 PolarHBondContact O-N 3.27Å; F276-C301 HydrophobicContact CE1-CB 4.48Å; F276-F304 HydrophobicContact CE2-CB 3.72Å; F276-F304 HydrophobicContact CE2-CD2 4.01Å; F276-F304 AromaticContact CE2-CG 3.87Å; F276-F304 HydrophobicContact CE2-CG 3.87Å; F276-F304 HydrophobicContact CZ-CB 3.6Å; F276-F304 AromaticContact CZ-CD2 3.57Å; F276-F304 HydrophobicContact CZ-CD2 3.57Å; F276-F304 HydrophobicContact CZ-CE2 4.46Å; F276-F304 AromaticContact CZ-CG 3.79Å; F276-F304 HydrophobicContact CZ-CG 3.79Å; F276-V347 HydrophobicContact CD2-CG1 4.38Å; F276-V347 HydrophobicContact CE2-CG1 4.03Å; F276-S350 WeakPolarHBondContact CB-OG 3.43Å; F276-S350 WeakPolarHBondContact CD2-OG 3.47Å; F276-A351 HydrophobicContact CD1-CB 4.36Å; F276-A351 HydrophobicContact CD2-CB 4.41Å; F276-A351 HydrophobicContact CE1-CB 4.24Å; F276-A351 HydrophobicContact CE2-CB 4.28Å; F276-A351 HydrophobicContact CG-CB 4.46Å; F276-A351 HydrophobicContact CZ-CB 4.21Å; F276-C354 HydrophobicContact CD1-CB 4.39Å |
| 277 | Q | 84 | Confident | 79 | Confident | 47 Ų | 47 | 36.9 Ų | 36.9 | 22% | 0.22 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -37 | 171.3 | -68.8 | 179.1 | 13.1 | 0 | 0 | 111.9 | A239 E273 Y274 A281 | A239-Q277 HydrophobicContact CB-CB 4.49Å; E273-Q277 WeakPolarHBondContact O-CG 3.29Å; E273-Q277 PolarHBondContact O-N 2.93Å; E273-Q277 PolarHBondContact OE1-NE2 3.44Å; Y274-Q277 PolarHBondContact O-N 3.44Å; Q277-A281 PolarHBondContact O-N 3.25Å; Q277-A281 VanDerWaalsContact O-N 3.09Å |
| 278 | A | 83.4 | Confident | 79 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A239 Y274 C275 F276 E280 A281 F282 | A239-A278 HydrophobicContact CB-CB 4.05Å; Y274-A278 PolarHBondContact O-N 2.93Å; C275-A278 WeakPolarHBondContact O-CB 3.5Å; C275-A278 PolarHBondContact O-N 3.04Å; F276-A278 VanDerWaalsContact C-N 3.28Å; F276-A278 PolarHBondContact O-N 3Å; A278-E280 PolarHBondContact O-N 3.06Å; A278-A281 WeakPolarHBondContact O-CB 3.34Å; A278-A281 PolarHBondContact O-N 2.9Å; A278-F282 HydrophobicContact CB-CE2 4.03Å; A278-F282 HydrophobicContact CB-CZ 4.22Å; A278-F282 WeakPolarHBondContact O-CD2 3.48Å; A278-F282 WeakPolarHBondContact O-CG 3.33Å; A278-F282 PolarHBondContact O-N 3.03Å |
| 279 | F | 83.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.6 | -67.7 | -43.2 | 0 | 0 | 0 | 112.2 | V260 V261 T264 C275 F276 A281 F282 I283 M290 V297 | V260-F279 HydrophobicContact CB-CE1 4.11Å; V260-F279 HydrophobicContact CB-CZ 4.13Å; V260-F279 HydrophobicContact CG1-CD1 4.44Å; V260-F279 HydrophobicContact CG1-CE1 3.77Å; V260-F279 HydrophobicContact CG1-CE2 4.09Å; V260-F279 HydrophobicContact CG1-CZ 3.56Å; V261-F279 HydrophobicContact CG2-CE1 4.29Å; V261-F279 HydrophobicContact CG2-CZ 3.77Å; T264-F279 HydrophobicContact CG2-CE2 3.94Å; T264-F279 HydrophobicContact CG2-CZ 4.44Å; C275-F279 WeakPolarHBondContact O-CD2 3.49Å; C275-F279 PolarHBondContact O-N 3.33Å; F276-F279 HydrophobicContact CD1-CD2 4.02Å; F276-F279 HydrophobicContact CE1-CD2 4.42Å; F276-F279 PolarHBondContact O-N 3.4Å; F279-A281 VanDerWaalsContact C-N 3.29Å; F279-A281 PolarHBondContact O-N 3.04Å; F279-F282 HydrophobicContact CD1-CD2 4.05Å; F279-F282 HydrophobicContact CD1-CE2 4.39Å; F279-F282 PolarHBondContact O-N 3.5Å; F279-I283 HydrophobicContact CB-CD1 4.41Å; F279-I283 WeakPolarHBondContact O-CB 3.43Å; F279-I283 VanDerWaalsContact O-CD1 3.25Å; F279-I283 WeakPolarHBondContact O-CD1 3.27Å; F279-I283 VanDerWaalsContact O-CG1 3.25Å; F279-I283 WeakPolarHBondContact O-CG1 3.46Å; F279-I283 PolarHBondContact O-N 3.29Å; F279-M290 HydrophobicContact CD1-CE 4.23Å; F279-V297 HydrophobicContact CB-CG1 4.21Å; F279-V297 HydrophobicContact CD1-CG2 4.01Å; F279-V297 HydrophobicContact CD2-CG1 4.27Å; F279-V297 HydrophobicContact CE1-CG2 4.1Å; F279-V297 HydrophobicContact CG-CG1 4.17Å; F279-V297 HydrophobicContact CG-CG2 4.27Å; F279-V297 HydrophobicContact CZ-CG2 4.4Å |
| 280 | E | 82.9 | Confident | 78.3 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.7 | -45.7 | 174.9 | -166.9 | -160.7 | 156.1 | 0 | 0 | 111.5 | F276 A278 I283 R284 A357 | F276-E280 WeakPolarHBondContact O-CB 3.14Å; F276-E280 PolarHBondContact O-N 3.27Å; A278-E280 PolarHBondContact O-N 3.06Å; E280-I283 PolarHBondContact O-N 2.81Å; E280-R284 WeakPolarHBondContact O-CG 3.42Å; E280-R284 PolarHBondContact O-N 3.3Å; E280-R284 IonicContact OE1-CZ 3.69Å; E280-R284 IonicContact OE1-NE 3.81Å; E280-R284 PolarHBondContact OE1-NE 3.4Å; E280-R284 IonicContact OE1-NH2 2.74Å; E280-R284 PolarHBondContact OE1-NH2 3.3Å; E280-A357 HydrophobicContact CG-CB 3.68Å |
| 281 | A | 80.9 | Confident | 78 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R243 Q277 A278 F279 I283 K285 | R243-A281 HydrophobicContact CG-CB 3.65Å; Q277-A281 PolarHBondContact O-N 3.25Å; Q277-A281 VanDerWaalsContact O-N 3.09Å; A278-A281 WeakPolarHBondContact O-CB 3.34Å; A278-A281 PolarHBondContact O-N 2.9Å; F279-A281 VanDerWaalsContact C-N 3.29Å; F279-A281 PolarHBondContact O-N 3.04Å; A281-I283 PolarHBondContact O-N 3.49Å; A281-K285 WeakPolarHBondContact O-CB 3.48Å; A281-K285 PolarHBondContact O-N 2.91Å; A281-K285 VanDerWaalsContact O-N 3.15Å |
| 282 | F | 81.4 | Confident | 77.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.6 | -58.7 | -37.6 | 0 | 0 | 0 | 111.9 | L238 S242 V249 L253 A278 F279 K285 C286 M290 | L238-F282 HydrophobicContact CD2-CZ 4.2Å; L238-F282 HydrophobicContact CG-CZ 4.26Å; S242-F282 WeakPolarHBondContact OG-CE1 3.37Å; V249-F282 HydrophobicContact CG1-CE1 4.12Å; L253-F282 HydrophobicContact CD2-CB 4.46Å; L253-F282 HydrophobicContact CD2-CD1 3.42Å; L253-F282 VanDerWaalsContact CD2-CD1 3.42Å; L253-F282 HydrophobicContact CD2-CD2 4.4Å; L253-F282 HydrophobicContact CD2-CE1 3.57Å; L253-F282 HydrophobicContact CD2-CG 3.88Å; L253-F282 HydrophobicContact CD2-CZ 4.21Å; A278-F282 HydrophobicContact CB-CE2 4.03Å; A278-F282 HydrophobicContact CB-CZ 4.22Å; A278-F282 WeakPolarHBondContact O-CD2 3.48Å; A278-F282 WeakPolarHBondContact O-CG 3.33Å; A278-F282 PolarHBondContact O-N 3.03Å; F279-F282 HydrophobicContact CD1-CD2 4.05Å; F279-F282 HydrophobicContact CD1-CE2 4.39Å; F279-F282 PolarHBondContact O-N 3.5Å; F282-K285 PolarHBondContact O-N 3.36Å; F282-C286 CarbonylContact O-C 3.6Å; F282-C286 WeakPolarHBondContact O-CA 3.39Å; F282-C286 PolarHBondContact O-N 3Å; F282-M290 HydrophobicContact CB-SD 4.39Å |
| 283 | I | 79.1 | Confident | 77.5 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | -177.7 | -69.2 | 156 | 0 | 0 | 0 | 111.3 | F279 E280 A281 K285 M290 V297 C354 A357 L358 T361 | F279-I283 HydrophobicContact CB-CD1 4.41Å; F279-I283 WeakPolarHBondContact O-CB 3.43Å; F279-I283 VanDerWaalsContact O-CD1 3.25Å; F279-I283 WeakPolarHBondContact O-CD1 3.27Å; F279-I283 VanDerWaalsContact O-CG1 3.25Å; F279-I283 WeakPolarHBondContact O-CG1 3.46Å; F279-I283 PolarHBondContact O-N 3.29Å; E280-I283 PolarHBondContact O-N 2.81Å; A281-I283 PolarHBondContact O-N 3.49Å; I283-K285 PolarHBondContact O-N 3.33Å; I283-M290 HydrophobicContact CG1-CE 4.46Å; I283-M290 HydrophobicContact CG1-CG 4Å; I283-V297 HydrophobicContact CD1-CG1 4.23Å; I283-C354 VanDerWaalsContact CD1-SG 3.57Å; I283-A357 HydrophobicContact CG2-CB 4.26Å; I283-L358 HydrophobicContact CB-CD2 4.41Å; I283-L358 HydrophobicContact CD1-CD1 4.3Å; I283-L358 HydrophobicContact CD1-CD2 3.58Å; I283-L358 HydrophobicContact CD1-CG 3.76Å; I283-L358 HydrophobicContact CG1-CD2 3.84Å; I283-L358 HydrophobicContact CG1-CG 4.46Å; I283-L358 HydrophobicContact CG2-CD2 3.68Å; I283-L358 HydrophobicContact CG2-CG 4.11Å; I283-T361 HydrophobicContact CG2-CG2 4.44Å; I283-T361 WeakPolarHBondContact CG2-OG1 3.47Å |
| 284 | R | 77.1 | Confident | 77.2 | Confident | 122 Ų | 122 | 41.2 Ų | 41.2 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.1 | -35.2 | 179.2 | -71 | -175.3 | -169.9 | -112 | 5.2 | 113.1 | E280 A357 | E280-R284 WeakPolarHBondContact O-CG 3.42Å; E280-R284 PolarHBondContact O-N 3.3Å; E280-R284 IonicContact OE1-CZ 3.69Å; E280-R284 IonicContact OE1-NE 3.81Å; E280-R284 PolarHBondContact OE1-NE 3.4Å; E280-R284 IonicContact OE1-NH2 2.74Å; E280-R284 PolarHBondContact OE1-NH2 3.3Å; R284-A357 HydrophobicContact CG-CB 3.95Å |
| 285 | K | 73.1 | Confident | 77 | Confident | 114 Ų | 114 | 43.2 Ų | 43.2 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -100.4 | -29.8 | -170.6 | -65.4 | -63.9 | -174.6 | 175 | 0 | 114.3 | R243 A281 F282 I283 | R243-K285 WeakPolarHBondContact O-CE 3.46Å; A281-K285 WeakPolarHBondContact O-CB 3.48Å; A281-K285 PolarHBondContact O-N 2.91Å; A281-K285 VanDerWaalsContact O-N 3.15Å; F282-K285 PolarHBondContact O-N 3.36Å; I283-K285 PolarHBondContact O-N 3.33Å |
| 286 | C | 69.1 | Low | 76.8 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | trans | -130 | 68.3 | -178.3 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | G246 L253 F282 K288 M290 | G246-C286 PolarHBondContact O-SG 3.29Å; L253-C286 HydrophobicContact CD1-CB 3.75Å; F282-C286 CarbonylContact O-C 3.6Å; F282-C286 WeakPolarHBondContact O-CA 3.39Å; F282-C286 PolarHBondContact O-N 3Å; C286-K288 VanDerWaalsContact C-N 3.3Å; C286-K288 PolarHBondContact O-N 3.38Å; C286-M290 WeakPolarHBondContact O-CB 3.29Å; C286-M290 PolarHBondContact O-N 3.47Å | ||
| 287 | P | 67.2 | Low | 76.7 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 34% | 0.344 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.4 | -175.6 | -21.2 | 32.9 | 0 | 0 | 0 | 114.5 | S291 R362 | P287-S291 PolarHBondContact O-OG 3.42Å; P287-R362 PolarHBondContact O-NH1 3.11Å |
| 288 | K | 67.8 | Low | 76.6 | Confident | 154 Ų | 154 | 45.2 Ų | 45.2 | 67% | 0.67 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -53.2 | -175.7 | -69 | -171.1 | 178 | -173.6 | 0 | 112.1 | C286 M290 S291 | C286-K288 VanDerWaalsContact C-N 3.3Å; C286-K288 PolarHBondContact O-N 3.38Å; K288-M290 VanDerWaalsContact C-N 3.28Å; K288-M290 PolarHBondContact O-N 3Å; K288-S291 VanDerWaalsContact O-CB 3.28Å; K288-S291 WeakPolarHBondContact O-CB 3.44Å; K288-S291 PolarHBondContact O-N 3.47Å; K288-S291 PolarHBondContact O-OG 2.84Å |
| 289 | E | 68.4 | Low | 76.5 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25.4 | -177.9 | -64.9 | 156.1 | 167.6 | 0 | 0 | 112.3 | G250 L253 S291 P292 | G250-E289 WeakPolarHBondContact CA-OE1 3.45Å; G250-E289 WeakPolarHBondContact CA-OE2 3.45Å; L253-E289 HydrophobicContact CD1-CB 4.08Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 3.21Å; E289-P292 WeakPolarHBondContact O-CD 3.43Å |
| 290 | M | 72.7 | Confident | 76.5 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -18.6 | 175.6 | -164.4 | 60.6 | -177.2 | 0 | 0 | 113.4 | I257 F279 F282 I283 C286 K288 P292 H293 V294 V297 | I257-M290 HydrophobicContact CD1-CE 4.38Å; I257-M290 HydrophobicContact CD1-SD 3.48Å; I257-M290 WeakPolarHBondContact CD1-SD 3.38Å; I257-M290 HydrophobicContact CG1-SD 4.24Å; F279-M290 HydrophobicContact CD1-CE 4.23Å; F282-M290 HydrophobicContact CB-SD 4.39Å; I283-M290 HydrophobicContact CG1-CE 4.46Å; I283-M290 HydrophobicContact CG1-CG 4Å; C286-M290 WeakPolarHBondContact O-CB 3.29Å; C286-M290 PolarHBondContact O-N 3.47Å; K288-M290 VanDerWaalsContact C-N 3.28Å; K288-M290 PolarHBondContact O-N 3Å; M290-P292 VanDerWaalsContact C-CD 3.49Å; M290-H293 HydrophobicContact CE-CB 4.03Å; M290-H293 WeakPolarHBondContact O-CA 3.27Å; M290-H293 PolarHBondContact O-N 3.02Å; M290-H293 HydrophobicContact SD-CB 4.08Å; M290-V294 HydrophobicContact CG-CG2 4.2Å; M290-V294 WeakPolarHBondContact O-CG2 3.34Å; M290-V294 PolarHBondContact O-N 3.24Å; M290-V297 HydrophobicContact CE-CB 4.27Å; M290-V297 HydrophobicContact CE-CG2 3.36Å |
| 291 | S | 71.3 | Confident | 76.4 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -44.3 | -49.1 | -175.6 | -58.2 | 0 | 0 | 0 | 0 | 115.7 | P287 K288 E289 H293 V294 R362 | P287-S291 PolarHBondContact O-OG 3.42Å; K288-S291 VanDerWaalsContact O-CB 3.28Å; K288-S291 WeakPolarHBondContact O-CB 3.44Å; K288-S291 PolarHBondContact O-N 3.47Å; K288-S291 PolarHBondContact O-OG 2.84Å; E289-S291 VanDerWaalsContact C-N 3.31Å; E289-S291 PolarHBondContact O-N 3.21Å; S291-H293 PolarHBondContact O-N 2.99Å; S291-V294 PolarHBondContact O-N 3.21Å; S291-R362 PolarHBondContact OG-NH1 3.08Å |
| 292 | P | 76.7 | Confident | 76.3 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65 | -26.2 | 179.4 | 24.6 | -35 | 0 | 0 | 0 | 113.5 | E289 M290 | E289-P292 WeakPolarHBondContact O-CD 3.43Å; M290-P292 VanDerWaalsContact C-CD 3.49Å |
| 293 | H | 75.3 | Confident | 76.3 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -96.5 | -11.8 | -176.3 | -63 | -67.6 | 0 | 0 | 0 | 113.7 | I257 M290 S291 A295 T296 V297 | I257-H293 HydrophobicContact CD1-CB 4.25Å; I257-H293 VanDerWaalsContact CD1-CD2 3.42Å; I257-H293 WeakPolarHBondContact CD1-CD2 3.38Å; I257-H293 HydrophobicContact CG2-CB 4.01Å; M290-H293 HydrophobicContact CE-CB 4.03Å; M290-H293 WeakPolarHBondContact O-CA 3.27Å; M290-H293 PolarHBondContact O-N 3.02Å; M290-H293 HydrophobicContact SD-CB 4.08Å; S291-H293 PolarHBondContact O-N 2.99Å; H293-A295 VanDerWaalsContact C-N 3.34Å; H293-A295 PolarHBondContact O-N 3.17Å; H293-T296 WeakPolarHBondContact O-CB 3.25Å; H293-T296 PolarHBondContact O-N 3.29Å; H293-V297 PolarHBondContact O-N 3.01Å |
| 294 | V | 76.4 | Confident | 76.3 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52.8 | -48.7 | -179.8 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | M290 S291 T296 V297 T298 L358 L365 | M290-V294 HydrophobicContact CG-CG2 4.2Å; M290-V294 WeakPolarHBondContact O-CG2 3.34Å; M290-V294 PolarHBondContact O-N 3.24Å; S291-V294 PolarHBondContact O-N 3.21Å; V294-T296 PolarHBondContact O-N 3.26Å; V294-V297 PolarHBondContact O-N 2.88Å; V294-V297 VanDerWaalsContact O-N 3.15Å; V294-T298 PolarHBondContact O-N 3.26Å; V294-T298 PolarHBondContact O-OG1 3.44Å; V294-L358 HydrophobicContact CG1-CD2 4.01Å; V294-L358 HydrophobicContact CG2-CD2 4.35Å; V294-L365 HydrophobicContact CG1-CD1 4.3Å |
| 295 | A | 79.1 | Confident | 76.2 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -32.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | H293 K299 | H293-A295 VanDerWaalsContact C-N 3.34Å; H293-A295 PolarHBondContact O-N 3.17Å; A295-K299 VanDerWaalsContact O-CG 3.3Å; A295-K299 WeakPolarHBondContact O-CG 3.34Å; A295-K299 PolarHBondContact O-N 3.21Å |
| 296 | T | 79.9 | Confident | 76.1 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74.4 | -44.6 | 177 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | H293 V294 K299 L300 | H293-T296 WeakPolarHBondContact O-CB 3.25Å; H293-T296 PolarHBondContact O-N 3.29Å; V294-T296 PolarHBondContact O-N 3.26Å; T296-K299 PolarHBondContact O-N 3.26Å; T296-L300 HydrophobicContact CG2-CD1 4.41Å; T296-L300 WeakPolarHBondContact O-CG 3.48Å; T296-L300 PolarHBondContact O-N 3.11Å |
| 297 | V | 81.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | F279 I283 M290 H293 V294 K299 L300 C301 | F279-V297 HydrophobicContact CB-CG1 4.21Å; F279-V297 HydrophobicContact CD1-CG2 4.01Å; F279-V297 HydrophobicContact CD2-CG1 4.27Å; F279-V297 HydrophobicContact CE1-CG2 4.1Å; F279-V297 HydrophobicContact CG-CG1 4.17Å; F279-V297 HydrophobicContact CG-CG2 4.27Å; F279-V297 HydrophobicContact CZ-CG2 4.4Å; I283-V297 HydrophobicContact CD1-CG1 4.23Å; M290-V297 HydrophobicContact CE-CB 4.27Å; M290-V297 HydrophobicContact CE-CG2 3.36Å; H293-V297 PolarHBondContact O-N 3.01Å; V294-V297 PolarHBondContact O-N 2.88Å; V294-V297 VanDerWaalsContact O-N 3.15Å; V297-K299 VanDerWaalsContact C-N 3.33Å; V297-K299 PolarHBondContact O-N 2.99Å; V297-L300 PolarHBondContact O-N 3.23Å; V297-L300 VanDerWaalsContact O-N 3.14Å; V297-C301 PolarHBondContact O-N 3.22Å; V297-C301 PolarHBondContact O-SG 3.46Å |
| 298 | T | 80.9 | Confident | 75.9 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 111 | V294 L300 C301 M302 L355 I373 | V294-T298 PolarHBondContact O-N 3.26Å; V294-T298 PolarHBondContact O-OG1 3.44Å; T298-L300 VanDerWaalsContact C-N 3.34Å; T298-L300 PolarHBondContact O-N 3.18Å; T298-C301 PolarHBondContact O-N 3.36Å; T298-M302 HydrophobicContact CG2-CG 4.36Å; T298-M302 WeakPolarHBondContact O-CB 3.42Å; T298-M302 WeakPolarHBondContact O-CG 3.12Å; T298-M302 PolarHBondContact O-N 3.36Å; T298-L355 HydrophobicContact CG2-CD2 4.46Å; T298-I373 HydrophobicContact CG2-CD1 4.2Å; T298-I373 HydrophobicContact CG2-CG1 4.34Å |
| 299 | K | 83 | Confident | 75.5 | Confident | 162 Ų | 162 | 50.8 Ų | 50.8 | 70% | 0.704 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 175.6 | -74 | 175 | -177.3 | -177.5 | 0 | 112.7 | A295 T296 V297 M302 K303 | A295-K299 VanDerWaalsContact O-CG 3.3Å; A295-K299 WeakPolarHBondContact O-CG 3.34Å; A295-K299 PolarHBondContact O-N 3.21Å; T296-K299 PolarHBondContact O-N 3.26Å; V297-K299 VanDerWaalsContact C-N 3.33Å; V297-K299 PolarHBondContact O-N 2.99Å; K299-M302 PolarHBondContact O-N 3Å; K299-K303 PolarHBondContact O-N 3.35Å |
| 300 | L | 81.5 | Confident | 75.1 | Confident | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -47 | 176.3 | -71 | 170.7 | 0 | 0 | 0 | 111.6 | V261 T296 V297 T298 M302 K303 F304 | V261-L300 HydrophobicContact CG1-CD1 4.15Å; V261-L300 HydrophobicContact CG2-CD1 4.1Å; T296-L300 HydrophobicContact CG2-CD1 4.41Å; T296-L300 WeakPolarHBondContact O-CG 3.48Å; T296-L300 PolarHBondContact O-N 3.11Å; V297-L300 PolarHBondContact O-N 3.23Å; V297-L300 VanDerWaalsContact O-N 3.14Å; T298-L300 VanDerWaalsContact C-N 3.34Å; T298-L300 PolarHBondContact O-N 3.18Å; L300-M302 VanDerWaalsContact C-N 3.26Å; L300-M302 PolarHBondContact O-N 3.38Å; L300-K303 PolarHBondContact O-N 3.36Å; L300-K303 VanDerWaalsContact O-N 3.16Å; L300-F304 HydrophobicContact CD2-CE2 4.29Å; L300-F304 WeakPolarHBondContact O-CD2 3.44Å; L300-F304 PolarHBondContact O-N 3.34Å |
| 301 | C | 81.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.3 | -65 | 0 | 0 | 0 | 0 | 111.5 | F276 V297 T298 F304 M305 A351 L355 | F276-C301 HydrophobicContact CE1-CB 4.48Å; V297-C301 PolarHBondContact O-N 3.22Å; V297-C301 PolarHBondContact O-SG 3.46Å; T298-C301 PolarHBondContact O-N 3.36Å; C301-F304 PolarHBondContact O-N 3.32Å; C301-M305 WeakPolarHBondContact O-CB 3.37Å; C301-M305 PolarHBondContact O-N 3.29Å; C301-A351 HydrophobicContact CB-CB 4.43Å; C301-L355 HydrophobicContact CB-CD1 4.11Å; C301-L355 HydrophobicContact CB-CD2 3.74Å; C301-L355 HydrophobicContact CB-CG 3.7Å |
| 302 | M | 79.6 | Confident | 73.5 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.6 | -68.1 | -73.4 | -67.8 | 0 | 0 | 112.2 | T298 K299 L300 M305 A376 | T298-M302 HydrophobicContact CG2-CG 4.36Å; T298-M302 WeakPolarHBondContact O-CB 3.42Å; T298-M302 WeakPolarHBondContact O-CG 3.12Å; T298-M302 PolarHBondContact O-N 3.36Å; K299-M302 PolarHBondContact O-N 3Å; L300-M302 VanDerWaalsContact C-N 3.26Å; L300-M302 PolarHBondContact O-N 3.38Å; M302-M305 HydrophobicContact SD-CE 4.16Å; M302-A376 HydrophobicContact CE-CB 3.11Å; M302-A376 HydrophobicContact SD-CB 3.82Å |
| 303 | K | 81.1 | Confident | 72.6 | Confident | 142 Ų | 142 | 59.7 Ų | 59.7 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.6 | -42.5 | 176 | -176 | -177.2 | 177.7 | -175.2 | 0 | 112.6 | K299 L300 T306 | K299-K303 PolarHBondContact O-N 3.35Å; L300-K303 PolarHBondContact O-N 3.36Å; L300-K303 VanDerWaalsContact O-N 3.16Å; K303-T306 PolarHBondContact O-N 3.23Å; K303-T306 PolarHBondContact O-OG1 3.01Å |
| 304 | F | 78.9 | Confident | 70.9 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -85.7 | -13.8 | -175.7 | -77.3 | -74.3 | 0 | 0 | 0 | 113.7 | T264 R272 F276 L300 C301 T306 F307 V347 R348 A351 | T264-F304 WeakPolarHBondContact O-CZ 3.39Å; R272-F304 HydrophobicContact CG-CE1 4.47Å; F276-F304 HydrophobicContact CE2-CB 3.72Å; F276-F304 HydrophobicContact CE2-CD2 4.01Å; F276-F304 AromaticContact CE2-CG 3.87Å; F276-F304 HydrophobicContact CE2-CG 3.87Å; F276-F304 HydrophobicContact CZ-CB 3.6Å; F276-F304 AromaticContact CZ-CD2 3.57Å; F276-F304 HydrophobicContact CZ-CD2 3.57Å; F276-F304 HydrophobicContact CZ-CE2 4.46Å; F276-F304 AromaticContact CZ-CG 3.79Å; F276-F304 HydrophobicContact CZ-CG 3.79Å; L300-F304 HydrophobicContact CD2-CE2 4.29Å; L300-F304 WeakPolarHBondContact O-CD2 3.44Å; L300-F304 PolarHBondContact O-N 3.34Å; C301-F304 PolarHBondContact O-N 3.32Å; F304-T306 VanDerWaalsContact C-N 3.3Å; F304-F307 HydrophobicContact CD1-CB 4.07Å; F304-F307 HydrophobicContact CD1-CD2 4.47Å; F304-F307 HydrophobicContact CD1-CG 4.1Å; F304-F307 WeakPolarHBondContact O-CB 3.28Å; F304-F307 PolarHBondContact O-N 3.25Å; F304-V347 HydrophobicContact CB-CG1 4.17Å; F304-V347 HydrophobicContact CD1-CG1 3.94Å; F304-V347 HydrophobicContact CG-CG1 4.35Å; F304-R348 WeakPolarHBondContact O-CG 3.43Å; F304-A351 HydrophobicContact CB-CB 4.39Å |
| 305 | M | 73.8 | Confident | 69.2 | Low | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.2 | -29.3 | 166.1 | -178 | 178.1 | 68.8 | 0 | 0 | 112 | C301 M302 I352 L355 A376 L377 R380 | C301-M305 WeakPolarHBondContact O-CB 3.37Å; C301-M305 PolarHBondContact O-N 3.29Å; M302-M305 HydrophobicContact SD-CE 4.16Å; M305-I352 HydrophobicContact CG-CD1 4.43Å; M305-I352 HydrophobicContact CG-CG1 4.08Å; M305-I352 HydrophobicContact SD-CG1 4.16Å; M305-L355 HydrophobicContact SD-CD1 4.19Å; M305-A376 HydrophobicContact CE-CB 3.76Å; M305-L377 HydrophobicContact SD-CD2 3.8Å; M305-R380 HydrophobicContact CE-CG 4.02Å; M305-R380 HydrophobicContact CG-CG 4.14Å; M305-R380 HydrophobicContact SD-CG 4.18Å |
| 306 | T | 71 | Confident | 67.2 | Low | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4.5 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | K303 F304 D308 R380 | K303-T306 PolarHBondContact O-N 3.23Å; K303-T306 PolarHBondContact O-OG1 3.01Å; F304-T306 VanDerWaalsContact C-N 3.3Å; T306-D308 PolarHBondContact O-N 3.4Å; T306-R380 VanDerWaalsContact CG2-NH2 3.3Å |
| 307 | F | 66.6 | Low | 65.3 | Low | 54 Ų | 54 | 77.3 Ų | 77.3 | 24% | 0.237 | 39% | 0.386 | C | S | . | . | trans | -79.6 | 93.8 | -175.8 | -175.4 | -101 | 0 | 0 | 0 | 109.9 | F304 P309 | F304-F307 HydrophobicContact CD1-CB 4.07Å; F304-F307 HydrophobicContact CD1-CD2 4.47Å; F304-F307 HydrophobicContact CD1-CG 4.1Å; F304-F307 WeakPolarHBondContact O-CB 3.28Å; F304-F307 PolarHBondContact O-N 3.25Å; F307-P309 HydrophobicContact CD1-CG 4.16Å; F307-P309 HydrophobicContact CD2-CG 4.46Å; F307-P309 HydrophobicContact CE1-CG 3.51Å; F307-P309 HydrophobicContact CE2-CG 3.86Å; F307-P309 HydrophobicContact CZ-CG 3.32Å | ||
| 308 | D | 66.4 | Low | 63.3 | Low | 24 Ų | 24 | 86.2 Ų | 86.2 | 13% | 0.128 | 43% | 0.428 | C | S | . | . | trans | -129.5 | 91.8 | 169.2 | -163 | -31.3 | 0 | 0 | 0 | 108.3 | T306 N310 Y311 R348 | T306-D308 PolarHBondContact O-N 3.4Å; D308-N310 PolarHBondContact O-N 3.33Å; D308-N310 PolarHBondContact OD1-N 3.35Å; D308-Y311 PolarHBondContact OD1-N 2.99Å; D308-R348 IonicContact OD2-CZ 3.29Å; D308-R348 VanDerWaalsContact OD2-CZ 3.28Å; D308-R348 IonicContact OD2-NH1 2.69Å; D308-R348 PolarHBondContact OD2-NH1 3.32Å; D308-R348 IonicContact OD2-NH2 3.29Å; D308-R348 PolarHBondContact OD2-NH2 3.39Å | ||
| 309 | P | 59.9 | Low | 61.6 | Low | 79 Ų | 79 | 92.5 Ų | 92.5 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.7 | 179.8 | -21.7 | 34.3 | 0 | 0 | 0 | 113.6 | F307 | F307-P309 HydrophobicContact CD1-CG 4.16Å; F307-P309 HydrophobicContact CD2-CG 4.46Å; F307-P309 HydrophobicContact CE1-CG 3.51Å; F307-P309 HydrophobicContact CE2-CG 3.86Å; F307-P309 HydrophobicContact CZ-CG 3.32Å |
| 310 | N | 59.5 | Low | 59.4 | Low | 114 Ų | 114 | 92.3 Ų | 92.3 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.2 | -171.7 | -65.7 | -23 | 0 | 0 | 0 | 112.4 | D308 D342 | D308-N310 PolarHBondContact O-N 3.33Å; D308-N310 PolarHBondContact OD1-N 3.35Å; N310-D342 VanDerWaalsContact ND2-CG 3.27Å; N310-D342 PolarHBondContact ND2-OD2 3.29Å |
| 311 | Y | 56.8 | Low | 57.2 | Low | 119 Ų | 119 | 99.2 Ų | 99.2 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | trans | -138.1 | 114.8 | -177.8 | -162.7 | -102.3 | 0 | 0 | 0 | 112 | D308 Y313 | D308-Y311 PolarHBondContact OD1-N 2.99Å; Y311-Y313 HydrophobicContact CD1-CD1 4.24Å; Y311-Y313 HydrophobicContact CD1-CD2 4.07Å; Y311-Y313 HydrophobicContact CD1-CE1 4.1Å; Y311-Y313 AromaticContact CD1-CE2 3.92Å; Y311-Y313 HydrophobicContact CD1-CE2 3.92Å; Y311-Y313 HydrophobicContact CD1-CG 4.24Å; Y311-Y313 AromaticContact CD1-CZ 3.95Å; Y311-Y313 AromaticContact CE1-CD1 3.98Å; Y311-Y313 HydrophobicContact CE1-CD1 3.98Å; Y311-Y313 AromaticContact CE1-CE1 3.94Å; Y311-Y313 HydrophobicContact CE1-CE1 3.94Å; Y311-Y313 HydrophobicContact CE1-CG 4.33Å | ||
| 312 | N | 54.4 | Low | 54.8 | Low | 139 Ų | 139 | 103.9 Ų | 103.9 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | trans | -89.4 | 113.2 | 173.8 | -141 | 23.3 | 0 | 0 | 0 | 108.4 | D314 | N312-D314 VanDerWaalsContact C-N 3.29Å; N312-D314 PolarHBondContact O-N 3.25Å | ||
| 313 | Y | 55.8 | Low | 53 | Low | 52 Ų | 52 | 110.3 Ų | 110.3 | 20% | 0.204 | 56% | 0.564 | C | S | . | * | trans | -72.4 | 90.2 | 168.1 | -67.7 | -90.4 | 0 | 0 | 0 | 107.2 | Y311 D315 R380 | Y311-Y313 HydrophobicContact CD1-CD1 4.24Å; Y311-Y313 HydrophobicContact CD1-CD2 4.07Å; Y311-Y313 HydrophobicContact CD1-CE1 4.1Å; Y311-Y313 AromaticContact CD1-CE2 3.92Å; Y311-Y313 HydrophobicContact CD1-CE2 3.92Å; Y311-Y313 HydrophobicContact CD1-CG 4.24Å; Y311-Y313 AromaticContact CD1-CZ 3.95Å; Y311-Y313 AromaticContact CE1-CD1 3.98Å; Y311-Y313 HydrophobicContact CE1-CD1 3.98Å; Y311-Y313 AromaticContact CE1-CE1 3.94Å; Y311-Y313 HydrophobicContact CE1-CE1 3.94Å; Y311-Y313 HydrophobicContact CE1-CG 4.33Å; Y313-D315 PolarHBondContact O-N 3.47Å; Y313-D315 VanDerWaalsContact O-N 3.1Å; Y313-R380 VanDerWaalsContact CD2-NH1 3.25Å | ||
| 314 | D | 39.7 | Very low | 50.6 | Low | 124 Ų | 124 | 111.1 Ų | 111.1 | 66% | 0.663 | 58% | 0.575 | S | S | * | * | trans | -64.9 | 112.3 | 168.4 | -102.7 | -22.6 | 0 | 0 | 0 | 107.7 | N312 N316 | N312-D314 VanDerWaalsContact C-N 3.29Å; N312-D314 PolarHBondContact O-N 3.25Å; D314-N316 PolarHBondContact O-N 3.36Å | ||
| 315 | D | 41.8 | Very low | 48.7 | Very low | 152 Ų | 152 | 118.2 Ų | 118.2 | 81% | 0.813 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -72.4 | 10.6 | 179.4 | -85.9 | -32.3 | 0 | 0 | 0 | 112.7 | Y313 | Y313-D315 PolarHBondContact O-N 3.47Å; Y313-D315 VanDerWaalsContact O-N 3.1Å |
| 316 | N | 37.4 | Very low | 46.8 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | trans | -111 | 70.4 | 180 | -69.4 | -26.2 | 0 | 0 | 0 | 111.5 | D314 | D314-N316 PolarHBondContact O-N 3.36Š| ||
| 317 | E | 40.4 | Very low | 45.3 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | trans | -123.9 | 69.3 | 158.2 | -76.8 | 179.6 | -175 | 0 | 0 | 107.9 | ||||
| 318 | E | 39.6 | Very low | 43.4 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -77.6 | 124.7 | 145 | -71.2 | -176 | 161.7 | 0 | 0 | 105.7 | ||||
| 319 | D | 44.1 | Very low | 42.2 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 80.4 | 81.3 | 174.7 | -54.3 | -26.3 | 0 | 0 | 0 | 118.8 | ||||
| 320 | E | 36.4 | Very low | 40.9 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | -127.5 | 65.5 | 142.4 | -84.2 | -165 | 168.1 | 0 | 0 | 110 | ||||
| 321 | D | 35.7 | Very low | 40.2 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 94% | 0.941 | 76% | 0.759 | S | S | * | * | trans | -89 | 77.6 | 148.8 | -88.6 | -28.1 | 0 | 0 | 0 | 107.5 | ||||
| 322 | S | 32.3 | Very low | 39.4 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -129.5 | 99.3 | 157.3 | 68.4 | 0 | 0 | 0 | 0 | 109.2 | D324 | S322-D324 PolarHBondContact O-N 3.11Š| ||
| 323 | M | 41.7 | Very low | 38.4 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -54.7 | 129 | 156.6 | -62.3 | -167.9 | -135.3 | 0 | 0 | 108.5 | ||||
| 324 | D | 30.6 | Very low | 37.5 | Very low | 158 Ų | 158 | 149.7 Ų | 149.7 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -150.1 | 118.2 | 136.5 | -93.6 | -30.7 | 0 | 0 | 0 | 109.6 | S322 | S322-D324 PolarHBondContact O-N 3.11Š| ||
| 325 | I | 38.9 | Very low | 37.1 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 82% | 0.821 | 81% | 0.811 | S | S | * | * | trans | -91.4 | 102.7 | 165.1 | -62.7 | 169.6 | 0 | 0 | 0 | 104.4 | ||||
| 326 | E | 33.1 | Very low | 37.1 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -129.1 | 113.8 | 156.8 | -80.1 | -165.2 | 155.6 | 0 | 0 | 109.7 | G328 | E326-G328 PolarHBondContact O-N 3.1Š| ||
| 327 | D | 39.2 | Very low | 37.3 | Very low | 170 Ų | 170 | 154.8 Ų | 154.8 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -54 | 114.6 | 161.2 | -81.6 | -46.4 | 0 | 0 | 0 | 109.3 | ||||
| 328 | G | 28.4 | Very low | 37.1 | Very low | 70 Ų | 70 | 152.8 Ų | 152.8 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -154.3 | 111.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | E326 D330 | E326-G328 PolarHBondContact O-N 3.1Å; G328-D330 PolarHBondContact O-N 2.68Å | ||
| 329 | A | 39.7 | Very low | 37.5 | Very low | 96 Ų | 96 | 150 Ų | 150 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -57.3 | 127.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 330 | D | 33.5 | Very low | 37.6 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -153.2 | 99.2 | 147.3 | -86.9 | -30.9 | 0 | 0 | 0 | 107.5 | G328 | G328-D330 PolarHBondContact O-N 2.68Š| ||
| 331 | E | 44.7 | Very low | 38.4 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -64.2 | 151.8 | 148.5 | -70.5 | 178.6 | 159.4 | 0 | 0 | 107.6 | ||||
| 332 | E | 40.5 | Very low | 39.9 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | 97.7 | 74.4 | 173.4 | -53.1 | -177.4 | 175.7 | 0 | 0 | 117.4 | ||||
| 333 | S | 32.6 | Very low | 41.8 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | -159.9 | 68.1 | 120.3 | 77.8 | 0 | 0 | 0 | 0 | 110.3 | D335 | S333-D335 PolarHBondContact O-N 3.42Š| |||
| 334 | D | 36.2 | Very low | 43.5 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | trans | -76.7 | 62.3 | 163.8 | -130.6 | 3.5 | 0 | 0 | 0 | 107.9 | E336 | D334-E336 PolarHBondContact O-N 3.44Š| ||
| 335 | D | 33.3 | Very low | 45.9 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -71.6 | 82.6 | 160.8 | -88.2 | -21.7 | 0 | 0 | 0 | 106 | S333 Y337 | S333-D335 PolarHBondContact O-N 3.42Å; D335-Y337 VanDerWaalsContact C-N 3.3Å; D335-Y337 PolarHBondContact O-N 2.86Å | ||
| 336 | E | 40.1 | Very low | 47.9 | Very low | 169 Ų | 169 | 122 Ų | 122 | 79% | 0.79 | 65% | 0.652 | S | S | * | * | trans | -47.7 | 92.5 | 166.8 | -73.2 | 178.1 | 149.1 | 0 | 0 | 108.9 | D334 S338 | D334-E336 PolarHBondContact O-N 3.44Å; E336-S338 PolarHBondContact O-N 3.47Å; E336-S338 VanDerWaalsContact O-N 3.09Å | ||
| 337 | Y | 42.6 | Very low | 50.3 | Low | 220 Ų | 220 | 113.4 Ų | 113.4 | 86% | 0.863 | 61% | 0.612 | S | S | * | * | trans | -58.3 | 113.8 | 157.3 | -85.9 | -93.8 | 0 | 0 | 0 | 106.5 | D335 D339 | D335-Y337 VanDerWaalsContact C-N 3.3Å; D335-Y337 PolarHBondContact O-N 2.86Å; Y337-D339 PolarHBondContact O-N 3.18Å | ||
| 338 | S | 35.7 | Very low | 52.4 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | trans | -53.3 | 105.2 | 176.7 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | E336 D340 | E336-S338 PolarHBondContact O-N 3.47Å; E336-S338 VanDerWaalsContact O-N 3.09Å; S338-D340 PolarHBondContact O-N 3.48Å | ||
| 339 | D | 48.2 | Very low | 55.1 | Low | 127 Ų | 127 | 106.2 Ų | 106.2 | 68% | 0.679 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 5 | -176.8 | -160.7 | 23.6 | 0 | 0 | 0 | 113.3 | Y337 D341 | Y337-D339 PolarHBondContact O-N 3.18Å; D339-D341 VanDerWaalsContact C-N 3.34Å; D339-D341 PolarHBondContact O-N 3.27Å |
| 340 | D | 47.3 | Very low | 57.2 | Low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -16.7 | -172.6 | -88.4 | -24.6 | 0 | 0 | 0 | 113.8 | S338 | S338-D340 PolarHBondContact O-N 3.48Š|
| 341 | D | 52.6 | Low | 59.7 | Low | 152 Ų | 152 | 94.2 Ų | 94.2 | 81% | 0.813 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -104.6 | -9.8 | -174.3 | -80 | -22.1 | 0 | 0 | 0 | 115.2 | D339 M343 | D339-D341 VanDerWaalsContact C-N 3.34Å; D339-D341 PolarHBondContact O-N 3.27Å; D341-M343 PolarHBondContact O-N 3.25Å |
| 342 | D | 67.1 | Low | 61.7 | Low | 40 Ų | 40 | 85.6 Ų | 85.6 | 21% | 0.214 | 43% | 0.433 | C | S | . | . | trans | -87.8 | 97.6 | -179.6 | -165.7 | -10.5 | 0 | 0 | 0 | 112.8 | N310 S344 W345 | N310-D342 VanDerWaalsContact ND2-CG 3.27Å; N310-D342 PolarHBondContact ND2-OD2 3.29Å; D342-S344 WeakPolarHBondContact OD1-CB 3.34Å; D342-S344 PolarHBondContact OD1-N 3.43Å; D342-S344 PolarHBondContact OD1-OG 2.91Å; D342-W345 VanDerWaalsContact O-CD1 3.27Å; D342-W345 PolarHBondContact O-NE1 3.3Å | ||
| 343 | M | 71.3 | Confident | 63.8 | Low | 57 Ų | 57 | 79.3 Ų | 79.3 | 28% | 0.281 | 40% | 0.403 | S | S | . | . | trans | -99.6 | 6.4 | 174.3 | -62.9 | -66.4 | 160.7 | 0 | 0 | 113.3 | D269 D341 W345 K346 | D269-M343 HydrophobicContact CB-CB 4.09Å; D341-M343 PolarHBondContact O-N 3.25Å; M343-W345 VanDerWaalsContact C-N 3.26Å; M343-W345 PolarHBondContact O-N 3.43Å; M343-K346 PolarHBondContact O-N 3.19Å; M343-K346 HydrophobicContact SD-CD 3.99Å; M343-K346 VanDerWaalsContact SD-CE 3.58Å; M343-K346 PolarHBondContact SD-NZ 3.37Å | ||
| 344 | S | 78.5 | Confident | 66.4 | Low | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -33 | -176.4 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | D342 K346 V347 R348 | D342-S344 WeakPolarHBondContact OD1-CB 3.34Å; D342-S344 PolarHBondContact OD1-N 3.43Å; D342-S344 PolarHBondContact OD1-OG 2.91Å; S344-K346 VanDerWaalsContact C-N 3.28Å; S344-K346 PolarHBondContact O-N 2.82Å; S344-V347 WeakPolarHBondContact O-CB 3.41Å; S344-V347 PolarHBondContact O-N 2.73Å; S344-V347 VanDerWaalsContact O-N 3.14Å; S344-R348 PolarHBondContact O-N 3.43Å; S344-R348 VanDerWaalsContact O-N 3.11Å; S344-R348 PolarHBondContact OG-NH2 2.79Å |
| 345 | W | 81.1 | Confident | 68.7 | Low | 57 Ų | 57 | 67.1 Ų | 67.1 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -31.9 | 179.2 | 71.4 | -94.4 | 0 | 0 | 0 | 112.7 | D342 M343 R348 R349 E385 N387 V388 | D342-W345 VanDerWaalsContact O-CD1 3.27Å; D342-W345 PolarHBondContact O-NE1 3.3Å; M343-W345 VanDerWaalsContact C-N 3.26Å; M343-W345 PolarHBondContact O-N 3.43Å; W345-R348 PolarHBondContact O-N 3.21Å; W345-R349 VanDerWaalsContact O-CB 3.25Å; W345-R349 WeakPolarHBondContact O-CB 3.24Å; W345-R349 PolarHBondContact O-N 3.09Å; W345-E385 HydrophobicContact CB-CB 4.45Å; W345-E385 HydrophobicContact CB-CG 3.82Å; W345-E385 HydrophobicContact CG-CG 4.42Å; W345-N387 HydrophobicContact CZ3-CB 4.44Å; W345-V388 HydrophobicContact CB-CG2 3.99Å; W345-V388 HydrophobicContact CE3-CG2 4.29Å; W345-V388 WeakPolarHBondContact O-CG2 3.33Å |
| 346 | K | 80.9 | Confident | 71.1 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 175.7 | -65.6 | -179.9 | -178.4 | 166.2 | 0 | 111.5 | E273 M343 S344 R349 S350 | E273-K346 HydrophobicContact CG-CB 4.46Å; M343-K346 PolarHBondContact O-N 3.19Å; M343-K346 HydrophobicContact SD-CD 3.99Å; M343-K346 VanDerWaalsContact SD-CE 3.58Å; M343-K346 PolarHBondContact SD-NZ 3.37Å; S344-K346 VanDerWaalsContact C-N 3.28Å; S344-K346 PolarHBondContact O-N 2.82Å; K346-R349 WeakPolarHBondContact O-CB 3.3Å; K346-R349 PolarHBondContact O-N 3.48Å; K346-S350 WeakPolarHBondContact O-CB 3.4Å; K346-S350 PolarHBondContact O-N 3.33Å; K346-S350 PolarHBondContact O-OG 3.45Å |
| 347 | V | 82.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 175.3 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | D269 R272 F276 F304 S344 R349 S350 A351 | D269-V347 HydrophobicContact CB-CG2 3.73Å; D269-V347 WeakPolarHBondContact O-CG2 3.34Å; R272-V347 HydrophobicContact CB-CG1 3.96Å; R272-V347 HydrophobicContact CB-CG2 3.89Å; F276-V347 HydrophobicContact CD2-CG1 4.38Å; F276-V347 HydrophobicContact CE2-CG1 4.03Å; F304-V347 HydrophobicContact CB-CG1 4.17Å; F304-V347 HydrophobicContact CD1-CG1 3.94Å; F304-V347 HydrophobicContact CG-CG1 4.35Å; S344-V347 WeakPolarHBondContact O-CB 3.41Å; S344-V347 PolarHBondContact O-N 2.73Å; S344-V347 VanDerWaalsContact O-N 3.14Å; V347-R349 VanDerWaalsContact C-N 3.32Å; V347-R349 PolarHBondContact O-N 2.93Å; V347-S350 PolarHBondContact O-N 3.46Å; V347-S350 PolarHBondContact O-OG 3.48Å; V347-A351 PolarHBondContact O-N 2.99Å |
| 348 | R | 84.4 | Confident | 75.1 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.6 | -48.6 | 176.1 | -71.6 | -176.6 | -77.6 | -175.3 | -17.3 | 111.7 | F304 D308 S344 W345 S350 A351 I352 E383 V388 | F304-R348 WeakPolarHBondContact O-CG 3.43Å; D308-R348 IonicContact OD2-CZ 3.29Å; D308-R348 VanDerWaalsContact OD2-CZ 3.28Å; D308-R348 IonicContact OD2-NH1 2.69Å; D308-R348 PolarHBondContact OD2-NH1 3.32Å; D308-R348 IonicContact OD2-NH2 3.29Å; D308-R348 PolarHBondContact OD2-NH2 3.39Å; S344-R348 PolarHBondContact O-N 3.43Å; S344-R348 VanDerWaalsContact O-N 3.11Å; S344-R348 PolarHBondContact OG-NH2 2.79Å; W345-R348 PolarHBondContact O-N 3.21Å; R348-S350 PolarHBondContact O-N 3.02Å; R348-A351 PolarHBondContact O-N 2.94Å; R348-I352 WeakPolarHBondContact O-CD1 3.22Å; R348-I352 WeakPolarHBondContact O-CG1 3.35Å; R348-I352 PolarHBondContact O-N 3.03Å; R348-E383 IonicContact CZ-OE1 3.48Å; R348-E383 IonicContact CZ-OE2 3.09Å; R348-E383 IonicContact NH1-OE1 2.78Å; R348-E383 PolarHBondContact NH1-OE1 3.47Å; R348-E383 IonicContact NH1-OE2 3.8Å; R348-E383 PolarHBondContact NH1-OE2 3.48Å; R348-V388 HydrophobicContact CB-CG1 3.98Å |
| 349 | R | 85.1 | Confident | 77.3 | Confident | 82 Ų | 82 | 39 Ų | 39 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -55.5 | -48.8 | 177.2 | -167.9 | -174.1 | 179.8 | -172.9 | 2 | 112.6 | W345 K346 V347 I352 K353 V388 D391 | W345-R349 VanDerWaalsContact O-CB 3.25Å; W345-R349 WeakPolarHBondContact O-CB 3.24Å; W345-R349 PolarHBondContact O-N 3.09Å; K346-R349 WeakPolarHBondContact O-CB 3.3Å; K346-R349 PolarHBondContact O-N 3.48Å; V347-R349 VanDerWaalsContact C-N 3.32Å; V347-R349 PolarHBondContact O-N 2.93Å; R349-I352 PolarHBondContact O-N 2.97Å; R349-K353 PolarHBondContact O-N 3.23Å; R349-V388 HydrophobicContact CB-CG2 4.27Å; R349-D391 WeakPolarHBondContact CD-OD2 3.28Å; R349-D391 WeakPolarHBondContact CG-OD2 2.9Å; R349-D391 IonicContact CZ-OD2 3.67Å; R349-D391 IonicContact NE-OD2 2.71Å; R349-D391 PolarHBondContact NE-OD2 2.93Å; R349-D391 IonicContact NH2-OD2 2.81Å |
| 350 | S | 82.9 | Confident | 78.8 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | -179.4 | 69.3 | 0 | 0 | 0 | 0 | 112.6 | F276 K346 V347 R348 K353 C354 | F276-S350 WeakPolarHBondContact CB-OG 3.43Å; F276-S350 WeakPolarHBondContact CD2-OG 3.47Å; K346-S350 WeakPolarHBondContact O-CB 3.4Å; K346-S350 PolarHBondContact O-N 3.33Å; K346-S350 PolarHBondContact O-OG 3.45Å; V347-S350 PolarHBondContact O-N 3.46Å; V347-S350 PolarHBondContact O-OG 3.48Å; R348-S350 PolarHBondContact O-N 3.02Å; S350-K353 PolarHBondContact O-N 2.8Å; S350-C354 WeakPolarHBondContact O-CB 3.31Å; S350-C354 PolarHBondContact O-N 3.44Å |
| 351 | A | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F276 C301 F304 V347 R348 C354 L355 | F276-A351 HydrophobicContact CD1-CB 4.36Å; F276-A351 HydrophobicContact CD2-CB 4.41Å; F276-A351 HydrophobicContact CE1-CB 4.24Å; F276-A351 HydrophobicContact CE2-CB 4.28Å; F276-A351 HydrophobicContact CG-CB 4.46Å; F276-A351 HydrophobicContact CZ-CB 4.21Å; C301-A351 HydrophobicContact CB-CB 4.43Å; F304-A351 HydrophobicContact CB-CB 4.39Å; V347-A351 PolarHBondContact O-N 2.99Å; R348-A351 PolarHBondContact O-N 2.94Å; A351-C354 WeakPolarHBondContact O-CB 3.38Å; A351-C354 PolarHBondContact O-N 2.94Å; A351-L355 WeakPolarHBondContact O-CG 3.24Å; A351-L355 PolarHBondContact O-N 3.34Å |
| 352 | I | 86.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.1 | -66.8 | 154.4 | 0 | 0 | 0 | 111.4 | M305 R348 R349 C354 L355 E356 V388 D391 V392 A395 | M305-I352 HydrophobicContact CG-CD1 4.43Å; M305-I352 HydrophobicContact CG-CG1 4.08Å; M305-I352 HydrophobicContact SD-CG1 4.16Å; R348-I352 WeakPolarHBondContact O-CD1 3.22Å; R348-I352 WeakPolarHBondContact O-CG1 3.35Å; R348-I352 PolarHBondContact O-N 3.03Å; R349-I352 PolarHBondContact O-N 2.97Å; I352-C354 VanDerWaalsContact C-N 3.28Å; I352-C354 PolarHBondContact O-N 3.1Å; I352-L355 CarbonylContact O-C 3.6Å; I352-L355 WeakPolarHBondContact O-CA 3.34Å; I352-L355 WeakPolarHBondContact O-CB 2.82Å; I352-L355 PolarHBondContact O-N 3.39Å; I352-L355 VanDerWaalsContact O-N 3.1Å; I352-E356 PolarHBondContact O-N 2.94Å; I352-V388 HydrophobicContact CD1-CG1 3.49Å; I352-V388 VanDerWaalsContact CD1-CG1 3.49Å; I352-D391 HydrophobicContact CG2-CB 4.23Å; I352-D391 WeakPolarHBondContact CG2-O 3.33Å; I352-V392 HydrophobicContact CD1-CG2 3.39Å; I352-V392 HydrophobicContact CG1-CG2 4.13Å; I352-V392 HydrophobicContact CG2-CG2 4.42Å; I352-A395 HydrophobicContact CG2-CB 3.86Å |
| 353 | K | 85.6 | Confident | 80.8 | Confident | 60 Ų | 60 | 29.8 Ų | 29.8 | 26% | 0.261 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.7 | -35.6 | 174.5 | -73.6 | -175.7 | 177.1 | -176.5 | 0 | 112.8 | R349 S350 E356 A357 D391 | R349-K353 PolarHBondContact O-N 3.23Å; S350-K353 PolarHBondContact O-N 2.8Å; K353-E356 PolarHBondContact O-N 3.49Å; K353-A357 PolarHBondContact O-N 3Å; K353-D391 VanDerWaalsContact CE-OD2 3.27Å; K353-D391 WeakPolarHBondContact CE-OD2 3.42Å |
| 354 | C | 85.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 172.4 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | F276 I283 S350 A351 I352 A357 L358 | F276-C354 HydrophobicContact CD1-CB 4.39Å; I283-C354 VanDerWaalsContact CD1-SG 3.57Å; S350-C354 WeakPolarHBondContact O-CB 3.31Å; S350-C354 PolarHBondContact O-N 3.44Å; A351-C354 WeakPolarHBondContact O-CB 3.38Å; A351-C354 PolarHBondContact O-N 2.94Å; I352-C354 VanDerWaalsContact C-N 3.28Å; I352-C354 PolarHBondContact O-N 3.1Å; C354-A357 PolarHBondContact O-N 3.23Å; C354-L358 WeakPolarHBondContact O-CG 3.3Å; C354-L358 PolarHBondContact O-N 2.99Å |
| 355 | L | 84.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 172.7 | -70.1 | 170 | 0 | 0 | 0 | 112.2 | T298 C301 M305 A351 I352 A357 L358 I359 I373 | T298-L355 HydrophobicContact CG2-CD2 4.46Å; C301-L355 HydrophobicContact CB-CD1 4.11Å; C301-L355 HydrophobicContact CB-CD2 3.74Å; C301-L355 HydrophobicContact CB-CG 3.7Å; M305-L355 HydrophobicContact SD-CD1 4.19Å; A351-L355 WeakPolarHBondContact O-CG 3.24Å; A351-L355 PolarHBondContact O-N 3.34Å; I352-L355 CarbonylContact O-C 3.6Å; I352-L355 WeakPolarHBondContact O-CA 3.34Å; I352-L355 WeakPolarHBondContact O-CB 2.82Å; I352-L355 PolarHBondContact O-N 3.39Å; I352-L355 VanDerWaalsContact O-N 3.1Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.46Å; L355-L358 HydrophobicContact CD2-CD1 4.24Å; L355-L358 WeakPolarHBondContact O-CB 3.34Å; L355-L358 PolarHBondContact O-N 3.43Å; L355-L358 VanDerWaalsContact O-N 3.14Å; L355-I359 VanDerWaalsContact O-CG1 3.28Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 3.43Å; L355-I373 HydrophobicContact CD2-CD1 4.17Å |
| 356 | E | 84.8 | Confident | 79.9 | Confident | 37 Ų | 37 | 32.7 Ų | 32.7 | 17% | 0.173 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -42.4 | 174.3 | -175.1 | -176.2 | -169.2 | 0 | 0 | 111.7 | I352 K353 L358 I359 S360 A395 T398 | I352-E356 PolarHBondContact O-N 2.94Å; K353-E356 PolarHBondContact O-N 3.49Å; E356-L358 VanDerWaalsContact C-N 3.33Å; E356-L358 PolarHBondContact O-N 3.23Å; E356-I359 PolarHBondContact O-N 3.46Å; E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 3.13Å; E356-S360 PolarHBondContact O-OG 3.5Å; E356-A395 HydrophobicContact CB-CB 4.01Å; E356-T398 HydrophobicContact CG-CG2 4.09Å; E356-T398 PolarHBondContact OE1-OG1 3.29Å; E356-T398 VanDerWaalsContact OE1-OG1 3.05Å |
| 357 | A | 82.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E280 I283 R284 K353 C354 L355 S360 T361 | E280-A357 HydrophobicContact CG-CB 3.68Å; I283-A357 HydrophobicContact CG2-CB 4.26Å; R284-A357 HydrophobicContact CG-CB 3.95Å; K353-A357 PolarHBondContact O-N 3Å; C354-A357 PolarHBondContact O-N 3.23Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.46Å; A357-S360 WeakPolarHBondContact CA-OG 3.5Å; A357-S360 PolarHBondContact O-OG 2.86Å; A357-T361 WeakPolarHBondContact O-CB 3.42Å; A357-T361 VanDerWaalsContact O-CG2 3.29Å; A357-T361 WeakPolarHBondContact O-CG2 3.48Å; A357-T361 PolarHBondContact O-N 3.27Å; A357-T361 PolarHBondContact O-OG1 2.94Å |
| 358 | L | 82.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 173.7 | -73.2 | 167.3 | 0 | 0 | 0 | 111.8 | I283 V294 C354 L355 E356 S360 T361 R362 | I283-L358 HydrophobicContact CB-CD2 4.41Å; I283-L358 HydrophobicContact CD1-CD1 4.3Å; I283-L358 HydrophobicContact CD1-CD2 3.58Å; I283-L358 HydrophobicContact CD1-CG 3.76Å; I283-L358 HydrophobicContact CG1-CD2 3.84Å; I283-L358 HydrophobicContact CG1-CG 4.46Å; I283-L358 HydrophobicContact CG2-CD2 3.68Å; I283-L358 HydrophobicContact CG2-CG 4.11Å; V294-L358 HydrophobicContact CG1-CD2 4.01Å; V294-L358 HydrophobicContact CG2-CD2 4.35Å; C354-L358 WeakPolarHBondContact O-CG 3.3Å; C354-L358 PolarHBondContact O-N 2.99Å; L355-L358 HydrophobicContact CD2-CD1 4.24Å; L355-L358 WeakPolarHBondContact O-CB 3.34Å; L355-L358 PolarHBondContact O-N 3.43Å; L355-L358 VanDerWaalsContact O-N 3.14Å; E356-L358 VanDerWaalsContact C-N 3.33Å; E356-L358 PolarHBondContact O-N 3.23Å; L358-S360 PolarHBondContact O-N 3.17Å; L358-T361 PolarHBondContact O-N 3.32Å; L358-T361 PolarHBondContact O-OG1 3.12Å; L358-R362 WeakPolarHBondContact O-CB 3.27Å; L358-R362 PolarHBondContact O-N 3.19Å |
| 359 | I | 81.7 | Confident | 79 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -42.3 | -178.2 | -66 | 163.2 | 0 | 0 | 0 | 111.1 | L355 E356 T361 F369 I373 T398 L399 Q402 | L355-I359 VanDerWaalsContact O-CG1 3.28Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 3.43Å; E356-I359 PolarHBondContact O-N 3.46Å; I359-T361 PolarHBondContact O-N 3.4Å; I359-F369 HydrophobicContact CG1-CD2 4.18Å; I359-F369 HydrophobicContact CG1-CE2 4.36Å; I359-I373 HydrophobicContact CD1-CG2 4.34Å; I359-T398 HydrophobicContact CG2-CG2 4.24Å; I359-L399 HydrophobicContact CD1-CB 4.44Å; I359-L399 HydrophobicContact CG2-CB 3.92Å; I359-L399 HydrophobicContact CG2-CD1 3.85Å; I359-Q402 PolarHBondContact O-NE2 3.4Å |
| 360 | S | 80.1 | Confident | 78.5 | Confident | 48 Ų | 48 | 33 Ų | 33 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68 | -32.8 | 180 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | E356 A357 L358 Q402 | E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 3.13Å; E356-S360 PolarHBondContact O-OG 3.5Å; A357-S360 WeakPolarHBondContact CA-OG 3.5Å; A357-S360 PolarHBondContact O-OG 2.86Å; L358-S360 PolarHBondContact O-N 3.17Å; S360-Q402 PolarHBondContact O-NE2 3.36Å |
| 361 | T | 73.3 | Confident | 78.2 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 28% | 0.282 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -90.4 | -28.5 | -175.5 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | I283 A357 L358 I359 | I283-T361 HydrophobicContact CG2-CG2 4.44Å; I283-T361 WeakPolarHBondContact CG2-OG1 3.47Å; A357-T361 WeakPolarHBondContact O-CB 3.42Å; A357-T361 VanDerWaalsContact O-CG2 3.29Å; A357-T361 WeakPolarHBondContact O-CG2 3.48Å; A357-T361 PolarHBondContact O-N 3.27Å; A357-T361 PolarHBondContact O-OG1 2.94Å; L358-T361 PolarHBondContact O-N 3.32Å; L358-T361 PolarHBondContact O-OG1 3.12Å; I359-T361 PolarHBondContact O-N 3.4Å |
| 362 | R | 70.3 | Confident | 77.7 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 15% | 0.151 | 21% | 0.211 | C | C | . | . | trans | -117.8 | 90.7 | -170.6 | -63.1 | -63.7 | -70 | -109.8 | -1.8 | 112.8 | P287 S291 L358 D364 L365 F369 | P287-R362 PolarHBondContact O-NH1 3.11Å; S291-R362 PolarHBondContact OG-NH1 3.08Å; L358-R362 WeakPolarHBondContact O-CB 3.27Å; L358-R362 PolarHBondContact O-N 3.19Å; R362-D364 VanDerWaalsContact C-N 3.33Å; R362-D364 WeakPolarHBondContact CA-OD1 3.41Å; R362-D364 VanDerWaalsContact CB-OD1 3.29Å; R362-D364 WeakPolarHBondContact CB-OD1 3.41Å; R362-D364 IonicContact CZ-OD1 3.44Å; R362-D364 IonicContact CZ-OD2 3.48Å; R362-D364 IonicContact NE-OD1 3.68Å; R362-D364 PolarHBondContact NE-OD1 3.19Å; R362-D364 IonicContact NE-OD2 3.65Å; R362-D364 PolarHBondContact NE-OD2 3.04Å; R362-D364 VanDerWaalsContact NE-OD2 3.14Å; R362-D364 IonicContact NH2-OD2 2.71Å; R362-D364 PolarHBondContact NH2-OD2 3.2Å; R362-L365 HydrophobicContact CB-CD1 4.48Å; R362-F369 HydrophobicContact CB-CE2 4.34Å; R362-F369 HydrophobicContact CB-CZ 4.23Å; R362-F369 WeakPolarHBondContact O-CE2 3.49Å | ||
| 363 | R | 66.7 | Low | 77.3 | Confident | 126 Ų | 126 | 39.1 Ų | 39.1 | 48% | 0.475 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -71 | -28.8 | 172.8 | -70.9 | -176.2 | 174.2 | 179.7 | -5.2 | 113.2 | L365 L366 Q402 | R363-L365 PolarHBondContact O-N 3.26Å; R363-L366 HydrophobicContact CB-CD1 4.44Å; R363-L366 WeakPolarHBondContact O-CD1 3.43Å; R363-L366 VanDerWaalsContact O-CG 3.25Å; R363-L366 WeakPolarHBondContact O-CG 3.47Å; R363-L366 PolarHBondContact O-N 3.15Å; R363-Q402 HydrophobicContact CG-CG 3.89Å; R363-Q402 VanDerWaalsContact NE-CD 3.27Å; R363-Q402 VanDerWaalsContact NH2-OE1 3.07Å |
| 364 | D | 67.6 | Low | 76.9 | Confident | 105 Ų | 105 | 36.3 Ų | 36.3 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.6 | -179 | 56.3 | -45.3 | 0 | 0 | 0 | 113.3 | R362 | R362-D364 VanDerWaalsContact C-N 3.33Å; R362-D364 WeakPolarHBondContact CA-OD1 3.41Å; R362-D364 VanDerWaalsContact CB-OD1 3.29Å; R362-D364 WeakPolarHBondContact CB-OD1 3.41Å; R362-D364 IonicContact CZ-OD1 3.44Å; R362-D364 IonicContact CZ-OD2 3.48Å; R362-D364 IonicContact NE-OD1 3.68Å; R362-D364 PolarHBondContact NE-OD1 3.19Å; R362-D364 IonicContact NE-OD2 3.65Å; R362-D364 PolarHBondContact NE-OD2 3.04Å; R362-D364 VanDerWaalsContact NE-OD2 3.14Å; R362-D364 IonicContact NH2-OD2 2.71Å; R362-D364 PolarHBondContact NH2-OD2 3.2Å |
| 365 | L | 72 | Confident | 76.6 | Confident | 53 Ų | 53 | 39.1 Ų | 39.1 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 9.9 | -175.5 | -67.3 | 176 | 0 | 0 | 0 | 114.2 | V294 R362 R363 L367 S368 F369 | V294-L365 HydrophobicContact CG1-CD1 4.3Å; R362-L365 HydrophobicContact CB-CD1 4.48Å; R363-L365 PolarHBondContact O-N 3.26Å; L365-L367 VanDerWaalsContact C-N 3.3Å; L365-L367 PolarHBondContact O-N 3.05Å; L365-S368 WeakPolarHBondContact O-CA 3.47Å; L365-S368 WeakPolarHBondContact O-CB 3.43Å; L365-S368 PolarHBondContact O-N 3.3Å; L365-S368 PolarHBondContact O-OG 3.35Å; L365-F369 HydrophobicContact CB-CD1 4.29Å; L365-F369 HydrophobicContact CB-CD2 4.47Å; L365-F369 HydrophobicContact CB-CE1 3.78Å; L365-F369 HydrophobicContact CB-CE2 3.96Å; L365-F369 HydrophobicContact CB-CZ 3.6Å; L365-F369 HydrophobicContact CD1-CE1 4.37Å; L365-F369 HydrophobicContact CD1-CZ 4.25Å; L365-F369 WeakPolarHBondContact O-CG 3.5Å; L365-F369 PolarHBondContact O-N 3.22Å |
| 366 | L | 71.9 | Confident | 76.2 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.2 | -43.2 | -176 | -80.5 | 170.1 | 0 | 0 | 0 | 113.6 | R363 S368 F369 Y370 L399 Q402 | R363-L366 HydrophobicContact CB-CD1 4.44Å; R363-L366 WeakPolarHBondContact O-CD1 3.43Å; R363-L366 VanDerWaalsContact O-CG 3.25Å; R363-L366 WeakPolarHBondContact O-CG 3.47Å; R363-L366 PolarHBondContact O-N 3.15Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-S368 PolarHBondContact O-N 3.44Å; L366-F369 WeakPolarHBondContact O-CB 3.39Å; L366-F369 PolarHBondContact O-N 2.97Å; L366-Y370 VanDerWaalsContact O-CD2 3.26Å; L366-Y370 WeakPolarHBondContact O-CD2 3.45Å; L366-Y370 PolarHBondContact O-N 2.87Å; L366-L399 HydrophobicContact CD2-CD1 4Å; L366-Q402 HydrophobicContact CD1-CG 4.24Å; L366-Q402 HydrophobicContact CD2-CB 4.26Å; L366-Q402 HydrophobicContact CD2-CG 3.9Å; L366-Q402 HydrophobicContact CG-CG 4.46Å |
| 367 | L | 73.3 | Confident | 76 | Confident | 95 Ų | 95 | 38.3 Ų | 38.3 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -40.5 | 177.7 | -65.7 | 172.2 | 0 | 0 | 0 | 112.1 | L365 F369 Y370 S371 P427 L431 | L365-L367 VanDerWaalsContact C-N 3.3Å; L365-L367 PolarHBondContact O-N 3.05Å; L367-F369 VanDerWaalsContact C-N 3.33Å; L367-Y370 PolarHBondContact O-N 2.97Å; L367-S371 PolarHBondContact O-N 3.19Å; L367-S371 VanDerWaalsContact O-N 3.17Å; L367-P427 HydrophobicContact CD2-CB 4.31Å; L367-P427 HydrophobicContact CD2-CG 4.5Å; L367-L431 HydrophobicContact CD2-CD1 3.76Å |
| 368 | S | 74.9 | Confident | 75.8 | Confident | 46 Ų | 46 | 38.9 Ų | 38.9 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -36.3 | 176.3 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | L365 L366 S371 S372 | L365-S368 WeakPolarHBondContact O-CA 3.47Å; L365-S368 WeakPolarHBondContact O-CB 3.43Å; L365-S368 PolarHBondContact O-N 3.3Å; L365-S368 PolarHBondContact O-OG 3.35Å; L366-S368 VanDerWaalsContact C-N 3.32Å; L366-S368 PolarHBondContact O-N 3.44Å; S368-S371 PolarHBondContact O-N 3.13Å; S368-S371 PolarHBondContact O-OG 3.26Å; S368-S372 PolarHBondContact O-N 2.8Å; S368-S372 PolarHBondContact O-OG 3.22Å |
| 369 | F | 79.3 | Confident | 75.4 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.9 | -61.6 | -21.1 | 0 | 0 | 0 | 111.7 | I359 R362 L365 L366 L367 S371 S372 I373 C374 L399 | I359-F369 HydrophobicContact CG1-CD2 4.18Å; I359-F369 HydrophobicContact CG1-CE2 4.36Å; R362-F369 HydrophobicContact CB-CE2 4.34Å; R362-F369 HydrophobicContact CB-CZ 4.23Å; R362-F369 WeakPolarHBondContact O-CE2 3.49Å; L365-F369 HydrophobicContact CB-CD1 4.29Å; L365-F369 HydrophobicContact CB-CD2 4.47Å; L365-F369 HydrophobicContact CB-CE1 3.78Å; L365-F369 HydrophobicContact CB-CE2 3.96Å; L365-F369 HydrophobicContact CB-CZ 3.6Å; L365-F369 HydrophobicContact CD1-CE1 4.37Å; L365-F369 HydrophobicContact CD1-CZ 4.25Å; L365-F369 WeakPolarHBondContact O-CG 3.5Å; L365-F369 PolarHBondContact O-N 3.22Å; L366-F369 WeakPolarHBondContact O-CB 3.39Å; L366-F369 PolarHBondContact O-N 2.97Å; L367-F369 VanDerWaalsContact C-N 3.33Å; F369-S371 VanDerWaalsContact C-N 3.32Å; F369-S371 PolarHBondContact O-N 2.92Å; F369-S372 PolarHBondContact O-N 3.23Å; F369-I373 HydrophobicContact CB-CB 4.49Å; F369-I373 HydrophobicContact CB-CD1 4.16Å; F369-I373 HydrophobicContact CD1-CD1 3.25Å; F369-I373 HydrophobicContact CD1-CG1 4.17Å; F369-I373 HydrophobicContact CE1-CD1 3.74Å; F369-I373 HydrophobicContact CG-CD1 3.85Å; F369-I373 WeakPolarHBondContact O-CA 3.47Å; F369-I373 WeakPolarHBondContact O-CB 3.38Å; F369-I373 PolarHBondContact O-N 2.78Å; F369-C374 PolarHBondContact O-N 3.42Å; F369-L399 HydrophobicContact CB-CD1 4.22Å |
| 370 | Y | 76 | Confident | 75 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -35 | 173.2 | -83.8 | -69.3 | 0 | 0 | 0 | 113.1 | L366 L367 C374 L399 T403 A428 L432 | L366-Y370 VanDerWaalsContact O-CD2 3.26Å; L366-Y370 WeakPolarHBondContact O-CD2 3.45Å; L366-Y370 PolarHBondContact O-N 2.87Å; L367-Y370 PolarHBondContact O-N 2.97Å; Y370-C374 HydrophobicContact CD1-CB 4.19Å; Y370-C374 WeakPolarHBondContact O-CB 3.11Å; Y370-L399 HydrophobicContact CE1-CD2 4.13Å; Y370-L399 HydrophobicContact CE1-CG 4.43Å; Y370-L399 HydrophobicContact CE2-CD1 4.36Å; Y370-T403 HydrophobicContact CE2-CG2 4.36Å; Y370-T403 WeakPolarHBondContact CE2-OG1 3.38Å; Y370-T403 WeakPolarHBondContact OH-CB 3.05Å; Y370-T403 PolarHBondContact OH-OG1 2.93Å; Y370-A428 HydrophobicContact CD2-CB 4.4Å; Y370-A428 HydrophobicContact CE2-CB 4.13Å; Y370-L432 HydrophobicContact CE1-CB 4.17Å; Y370-L432 HydrophobicContact CE1-CD1 4Å |
| 371 | S | 76.5 | Confident | 74.8 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 60% | 0.601 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -77.3 | -28.8 | 178.7 | 68.4 | 0 | 0 | 0 | 0 | 114.9 | L367 S368 F369 | L367-S371 PolarHBondContact O-N 3.19Å; L367-S371 VanDerWaalsContact O-N 3.17Å; S368-S371 PolarHBondContact O-N 3.13Å; S368-S371 PolarHBondContact O-OG 3.26Å; F369-S371 VanDerWaalsContact C-N 3.32Å; F369-S371 PolarHBondContact O-N 2.92Å |
| 372 | S | 75.4 | Confident | 74.7 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -120.4 | -45.5 | -169 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | S368 F369 | S368-S372 PolarHBondContact O-N 2.8Å; S368-S372 PolarHBondContact O-OG 3.22Å; F369-S372 PolarHBondContact O-N 3.23Å |
| 373 | I | 78.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -85.2 | -40.8 | -174.9 | -58.3 | 179.2 | 0 | 0 | 0 | 110.7 | T298 L355 I359 F369 A376 L377 | T298-I373 HydrophobicContact CG2-CD1 4.2Å; T298-I373 HydrophobicContact CG2-CG1 4.34Å; L355-I373 HydrophobicContact CD2-CD1 4.17Å; I359-I373 HydrophobicContact CD1-CG2 4.34Å; F369-I373 HydrophobicContact CB-CB 4.49Å; F369-I373 HydrophobicContact CB-CD1 4.16Å; F369-I373 HydrophobicContact CD1-CD1 3.25Å; F369-I373 HydrophobicContact CD1-CG1 4.17Å; F369-I373 HydrophobicContact CE1-CD1 3.74Å; F369-I373 HydrophobicContact CG-CD1 3.85Å; F369-I373 WeakPolarHBondContact O-CA 3.47Å; F369-I373 WeakPolarHBondContact O-CB 3.38Å; F369-I373 PolarHBondContact O-N 2.78Å; I373-A376 PolarHBondContact O-N 3.36Å; I373-L377 HydrophobicContact CG2-CD1 3.64Å; I373-L377 HydrophobicContact CG2-CG 3.89Å; I373-L377 WeakPolarHBondContact O-CG 3.34Å; I373-L377 PolarHBondContact O-N 2.89Å |
| 374 | C | 76.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -51 | -178.2 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | F369 Y370 A376 L377 L378 L399 | F369-C374 PolarHBondContact O-N 3.42Å; Y370-C374 HydrophobicContact CD1-CB 4.19Å; Y370-C374 WeakPolarHBondContact O-CB 3.11Å; C374-A376 VanDerWaalsContact C-N 3.29Å; C374-A376 PolarHBondContact O-N 2.95Å; C374-L377 PolarHBondContact O-N 2.75Å; C374-L378 VanDerWaalsContact O-CG 3.27Å; C374-L378 WeakPolarHBondContact O-CG 3.43Å; C374-L378 PolarHBondContact O-N 2.93Å; C374-L399 HydrophobicContact CB-CD2 4.28Å |
| 375 | P | 79.2 | Confident | 75.5 | Confident | 59 Ų | 59 | 45 Ų | 45 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -36.2 | 178.4 | -22.6 | 35 | 0 | 0 | 0 | 112.9 | L378 A379 | P375-L378 PolarHBondContact O-N 3.25Å; P375-A379 PolarHBondContact O-N 3.16Å |
| 376 | A | 77.2 | Confident | 75.8 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.2 | -36.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M302 M305 I373 C374 L378 R380 | M302-A376 HydrophobicContact CE-CB 3.11Å; M302-A376 HydrophobicContact SD-CB 3.82Å; M305-A376 HydrophobicContact CE-CB 3.76Å; I373-A376 PolarHBondContact O-N 3.36Å; C374-A376 VanDerWaalsContact C-N 3.29Å; C374-A376 PolarHBondContact O-N 2.95Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-R380 VanDerWaalsContact O-CG 3.27Å; A376-R380 WeakPolarHBondContact O-CG 3.41Å; A376-R380 PolarHBondContact O-N 3.16Å |
| 377 | L | 80.1 | Confident | 76.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 170.4 | -71 | 176 | 0 | 0 | 0 | 110.8 | M305 I373 C374 R380 F381 V392 F396 | M305-L377 HydrophobicContact SD-CD2 3.8Å; I373-L377 HydrophobicContact CG2-CD1 3.64Å; I373-L377 HydrophobicContact CG2-CG 3.89Å; I373-L377 WeakPolarHBondContact O-CG 3.34Å; I373-L377 PolarHBondContact O-N 2.89Å; C374-L377 PolarHBondContact O-N 2.75Å; L377-R380 PolarHBondContact O-N 3.41Å; L377-R380 VanDerWaalsContact O-N 3.12Å; L377-F381 WeakPolarHBondContact O-CD1 3.34Å; L377-F381 PolarHBondContact O-N 3.27Å; L377-V392 HydrophobicContact CD2-CG1 4.28Å; L377-F396 HydrophobicContact CB-CD2 4.31Å; L377-F396 HydrophobicContact CD1-CD2 4.42Å |
| 378 | L | 77.7 | Confident | 76.6 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.4 | -71.2 | 172.4 | 0 | 0 | 0 | 112.9 | C374 P375 A376 R380 F381 F396 V438 I439 | C374-L378 VanDerWaalsContact O-CG 3.27Å; C374-L378 WeakPolarHBondContact O-CG 3.43Å; C374-L378 PolarHBondContact O-N 2.93Å; P375-L378 PolarHBondContact O-N 3.25Å; A376-L378 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 2.81Å; L378-R380 VanDerWaalsContact O-N 3.17Å; L378-F381 HydrophobicContact CD2-CD2 4.35Å; L378-F381 HydrophobicContact CD2-CE1 4.24Å; L378-F381 HydrophobicContact CD2-CE2 3.82Å; L378-F381 HydrophobicContact CD2-CZ 3.76Å; L378-F381 WeakPolarHBondContact O-CB 3.4Å; L378-F381 PolarHBondContact O-N 2.78Å; L378-F381 VanDerWaalsContact O-N 3.17Å; L378-F396 HydrophobicContact CD2-CD2 4.48Å; L378-F396 HydrophobicContact CD2-CE2 3.79Å; L378-F396 HydrophobicContact CD2-CZ 4.1Å; L378-F396 HydrophobicContact CG-CE2 3.99Å; L378-V438 HydrophobicContact CD1-CG1 4.31Å; L378-I439 HydrophobicContact CD1-CG1 3.95Å; L378-I439 HydrophobicContact CD2-CB 4.33Å; L378-I439 HydrophobicContact CD2-CG1 3.72Å; L378-I439 HydrophobicContact CG-CG1 4.49Å |
| 379 | A | 75.7 | Confident | 77 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 51% | 0.512 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.7 | -29.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P375 | P375-A379 PolarHBondContact O-N 3.16Å |
| 380 | R | 72.8 | Confident | 77.1 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -90.6 | 7.9 | -177.7 | -61.7 | -69.4 | 151.9 | -167.8 | -4.2 | 114.5 | M305 T306 Y313 A376 L377 L378 K382 E383 | M305-R380 HydrophobicContact CE-CG 4.02Å; M305-R380 HydrophobicContact CG-CG 4.14Å; M305-R380 HydrophobicContact SD-CG 4.18Å; T306-R380 VanDerWaalsContact CG2-NH2 3.3Å; Y313-R380 VanDerWaalsContact CD2-NH1 3.25Å; A376-R380 VanDerWaalsContact O-CG 3.27Å; A376-R380 WeakPolarHBondContact O-CG 3.41Å; A376-R380 PolarHBondContact O-N 3.16Å; L377-R380 PolarHBondContact O-N 3.41Å; L377-R380 VanDerWaalsContact O-N 3.12Å; L378-R380 PolarHBondContact O-N 2.81Å; L378-R380 VanDerWaalsContact O-N 3.17Å; R380-K382 PolarHBondContact O-N 3.21Å; R380-E383 WeakPolarHBondContact O-CB 3.46Å; R380-E383 PolarHBondContact O-N 3.07Å |
| 381 | F | 74.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -66.2 | -14.6 | 169.3 | -77.4 | 18.8 | 0 | 0 | 0 | 112.3 | L377 L378 E383 V392 F393 F396 A442 L443 Q446 L461 | L377-F381 WeakPolarHBondContact O-CD1 3.34Å; L377-F381 PolarHBondContact O-N 3.27Å; L378-F381 HydrophobicContact CD2-CD2 4.35Å; L378-F381 HydrophobicContact CD2-CE1 4.24Å; L378-F381 HydrophobicContact CD2-CE2 3.82Å; L378-F381 HydrophobicContact CD2-CZ 3.76Å; L378-F381 WeakPolarHBondContact O-CB 3.4Å; L378-F381 PolarHBondContact O-N 2.78Å; L378-F381 VanDerWaalsContact O-N 3.17Å; F381-E383 VanDerWaalsContact C-N 3.31Å; F381-E383 PolarHBondContact O-N 2.98Å; F381-V392 HydrophobicContact CD1-CG1 3.77Å; F381-V392 HydrophobicContact CE1-CG1 3.74Å; F381-F393 HydrophobicContact CB-CE1 4.42Å; F381-F393 HydrophobicContact CD1-CD1 4.18Å; F381-F393 AromaticContact CD1-CE1 3.87Å; F381-F393 HydrophobicContact CD1-CE1 3.87Å; F381-F393 AromaticContact CD2-CE1 3.82Å; F381-F393 HydrophobicContact CD2-CE1 3.82Å; F381-F393 AromaticContact CE1-CD1 3.94Å; F381-F393 HydrophobicContact CE1-CD1 3.94Å; F381-F393 HydrophobicContact CE1-CE1 4.03Å; F381-F393 HydrophobicContact CE2-CD1 4.35Å; F381-F393 AromaticContact CE2-CE1 3.97Å; F381-F393 HydrophobicContact CE2-CE1 3.97Å; F381-F393 AromaticContact CG-CE1 3.78Å; F381-F393 HydrophobicContact CG-CE1 3.78Å; F381-F393 HydrophobicContact CZ-CD1 4.03Å; F381-F393 HydrophobicContact CZ-CE1 4.07Å; F381-F396 HydrophobicContact CE1-CD2 4.47Å; F381-F396 HydrophobicContact CZ-CD2 4.24Å; F381-F396 HydrophobicContact CZ-CG 4.23Å; F381-A442 HydrophobicContact CD2-CB 3.96Å; F381-L443 HydrophobicContact CD2-CD2 3.77Å; F381-L443 HydrophobicContact CD2-CG 4.26Å; F381-L443 HydrophobicContact CE2-CD2 3.56Å; F381-L443 HydrophobicContact CE2-CG 3.97Å; F381-Q446 VanDerWaalsContact O-CD 3.27Å; F381-Q446 PolarHBondContact O-NE2 3.27Å; F381-Q446 PolarHBondContact O-OE1 3.06Å; F381-L461 HydrophobicContact CE2-CD1 4.11Å; F381-L461 HydrophobicContact CZ-CD1 3.89Å |
| 382 | K | 71.4 | Confident | 77.9 | Confident | 129 Ų | 129 | 40.2 Ų | 40.2 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -85.9 | 14 | 175.6 | -59.5 | -177.9 | -178.9 | -179.8 | 0 | 114.4 | R380 | R380-K382 PolarHBondContact O-N 3.21Š|
| 383 | E | 73 | Confident | 78.4 | Confident | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -59.2 | 141.1 | -178.1 | -173.6 | 50.9 | -96.6 | 0 | 0 | 112.5 | R348 R380 F381 E385 V388 K389 | R348-E383 IonicContact CZ-OE1 3.48Å; R348-E383 IonicContact CZ-OE2 3.09Å; R348-E383 IonicContact NH1-OE1 2.78Å; R348-E383 PolarHBondContact NH1-OE1 3.47Å; R348-E383 IonicContact NH1-OE2 3.8Å; R348-E383 PolarHBondContact NH1-OE2 3.48Å; R380-E383 WeakPolarHBondContact O-CB 3.46Å; R380-E383 PolarHBondContact O-N 3.07Å; F381-E383 VanDerWaalsContact C-N 3.31Å; F381-E383 PolarHBondContact O-N 2.98Å; E383-E385 HydrophobicContact CG-CB 4.46Å; E383-V388 HydrophobicContact CG-CB 3.85Å; E383-V388 HydrophobicContact CG-CG1 3.86Å; E383-K389 HydrophobicContact CB-CB 4.21Å; E383-K389 WeakPolarHBondContact O-CE 3.47Å; E383-K389 PolarHBondContact O-NZ 3.22Å; E383-K389 VanDerWaalsContact O-NZ 3.17Å | ||
| 384 | R | 72 | Confident | 78.7 | Confident | 203 Ų | 203 | 39.5 Ų | 39.5 | 77% | 0.766 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -77.2 | -40.3 | 179.3 | -178.8 | 180 | 174.3 | 179.6 | -2.6 | 111 | ||
| 385 | E | 77.8 | Confident | 79.1 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | trans | -77.8 | 117.9 | -176.8 | -82.3 | -63.9 | 147.7 | 0 | 0 | 113.1 | W345 E383 N387 V388 K389 | W345-E385 HydrophobicContact CB-CB 4.45Å; W345-E385 HydrophobicContact CB-CG 3.82Å; W345-E385 HydrophobicContact CG-CG 4.42Å; E383-E385 HydrophobicContact CG-CB 4.46Å; E385-N387 VanDerWaalsContact C-N 3.29Å; E385-N387 PolarHBondContact O-N 3.39Å; E385-V388 HydrophobicContact CB-CB 4.09Å; E385-V388 HydrophobicContact CB-CG2 3.82Å; E385-V388 PolarHBondContact O-N 2.93Å; E385-K389 WeakPolarHBondContact O-CB 3.46Å; E385-K389 PolarHBondContact O-N 3.3Å | ||
| 386 | E | 76.4 | Confident | 79.4 | Confident | 89 Ų | 89 | 36.8 Ų | 36.8 | 42% | 0.416 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.6 | -35.5 | -175.8 | -63.8 | -163.3 | 154.8 | 0 | 0 | 113.3 | A390 S451 | E386-A390 WeakPolarHBondContact O-CB 3.13Å; E386-A390 PolarHBondContact O-N 3.36Å; E386-S451 WeakPolarHBondContact OE1-CB 3.44Å; E386-S451 PolarHBondContact OE1-OG 3.29Å |
| 387 | N | 80.1 | Confident | 79.8 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 32% | 0.321 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -71.2 | -38.5 | -178.7 | -69.5 | -45.6 | 0 | 0 | 0 | 111.9 | W345 E385 D391 K453 | W345-N387 HydrophobicContact CZ3-CB 4.44Å; E385-N387 VanDerWaalsContact C-N 3.29Å; E385-N387 PolarHBondContact O-N 3.39Å; N387-D391 PolarHBondContact O-N 2.94Å; N387-K453 PolarHBondContact OD1-NZ 3.06Å |
| 388 | V | 82.8 | Confident | 80 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.5 | -45.9 | 176 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | W345 R348 R349 I352 E383 E385 A390 D391 V392 | W345-V388 HydrophobicContact CB-CG2 3.99Å; W345-V388 HydrophobicContact CE3-CG2 4.29Å; W345-V388 WeakPolarHBondContact O-CG2 3.33Å; R348-V388 HydrophobicContact CB-CG1 3.98Å; R349-V388 HydrophobicContact CB-CG2 4.27Å; I352-V388 HydrophobicContact CD1-CG1 3.49Å; I352-V388 VanDerWaalsContact CD1-CG1 3.49Å; E383-V388 HydrophobicContact CG-CB 3.85Å; E383-V388 HydrophobicContact CG-CG1 3.86Å; E385-V388 HydrophobicContact CB-CB 4.09Å; E385-V388 HydrophobicContact CB-CG2 3.82Å; E385-V388 PolarHBondContact O-N 2.93Å; V388-A390 VanDerWaalsContact C-N 3.32Å; V388-A390 PolarHBondContact O-N 2.92Å; V388-D391 PolarHBondContact O-N 3.29Å; V388-D391 VanDerWaalsContact O-N 3.11Å; V388-V392 WeakPolarHBondContact O-CG2 3.42Å; V388-V392 PolarHBondContact O-N 3.48Å |
| 389 | K | 82.3 | Confident | 80.3 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.9 | -44 | 176 | -167.3 | -176 | -62.5 | -169.4 | 0 | 112.4 | E383 E385 D391 V392 F393 E449 S454 | E383-K389 HydrophobicContact CB-CB 4.21Å; E383-K389 WeakPolarHBondContact O-CE 3.47Å; E383-K389 PolarHBondContact O-NZ 3.22Å; E383-K389 VanDerWaalsContact O-NZ 3.17Å; E385-K389 WeakPolarHBondContact O-CB 3.46Å; E385-K389 PolarHBondContact O-N 3.3Å; K389-D391 PolarHBondContact O-N 2.81Å; K389-V392 WeakPolarHBondContact O-CB 3.49Å; K389-V392 PolarHBondContact O-N 3.01Å; K389-F393 HydrophobicContact CD-CE2 4.05Å; K389-F393 HydrophobicContact CD-CZ 4.07Å; K389-F393 HydrophobicContact CG-CD2 4.38Å; K389-F393 HydrophobicContact CG-CE1 4.46Å; K389-F393 HydrophobicContact CG-CE2 3.81Å; K389-F393 HydrophobicContact CG-CZ 3.88Å; K389-F393 WeakPolarHBondContact O-CG 3.27Å; K389-F393 PolarHBondContact O-N 3.29Å; K389-E449 VanDerWaalsContact NZ-CD 3.25Å; K389-E449 IonicContact NZ-OE1 3.36Å; K389-E449 PolarHBondContact NZ-OE1 3.07Å; K389-E449 IonicContact NZ-OE2 3.91Å; K389-E449 PolarHBondContact NZ-OE2 3.39Å; K389-S454 VanDerWaalsContact CD-OG 3.32Å; K389-S454 WeakPolarHBondContact CD-OG 3.29Å |
| 390 | A | 83.1 | Confident | 80.6 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E386 V388 F393 A394 K453 | E386-A390 WeakPolarHBondContact O-CB 3.13Å; E386-A390 PolarHBondContact O-N 3.36Å; V388-A390 VanDerWaalsContact C-N 3.32Å; V388-A390 PolarHBondContact O-N 2.92Å; A390-F393 PolarHBondContact O-N 3.19Å; A390-A394 PolarHBondContact O-N 2.97Å; A390-K453 HydrophobicContact CB-CD 4.41Å; A390-K453 HydrophobicContact CB-CG 4.5Å |
| 391 | D | 83.1 | Confident | 81 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.2 | -32.3 | 176.4 | -75.6 | -30.9 | 0 | 0 | 0 | 111.5 | R349 I352 K353 N387 V388 K389 A394 A395 | R349-D391 WeakPolarHBondContact CD-OD2 3.28Å; R349-D391 WeakPolarHBondContact CG-OD2 2.9Å; R349-D391 IonicContact CZ-OD2 3.67Å; R349-D391 IonicContact NE-OD2 2.71Å; R349-D391 PolarHBondContact NE-OD2 2.93Å; R349-D391 IonicContact NH2-OD2 2.81Å; I352-D391 HydrophobicContact CG2-CB 4.23Å; I352-D391 WeakPolarHBondContact CG2-O 3.33Å; K353-D391 VanDerWaalsContact CE-OD2 3.27Å; K353-D391 WeakPolarHBondContact CE-OD2 3.42Å; N387-D391 PolarHBondContact O-N 2.94Å; V388-D391 PolarHBondContact O-N 3.29Å; V388-D391 VanDerWaalsContact O-N 3.11Å; K389-D391 PolarHBondContact O-N 2.81Å; D391-A394 PolarHBondContact O-N 3.42Å; D391-A395 WeakPolarHBondContact O-CB 3.43Å; D391-A395 PolarHBondContact O-N 3.32Å |
| 392 | V | 86.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 170.1 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | I352 L377 F381 V388 K389 A394 A395 F396 | I352-V392 HydrophobicContact CD1-CG2 3.39Å; I352-V392 HydrophobicContact CG1-CG2 4.13Å; I352-V392 HydrophobicContact CG2-CG2 4.42Å; L377-V392 HydrophobicContact CD2-CG1 4.28Å; F381-V392 HydrophobicContact CD1-CG1 3.77Å; F381-V392 HydrophobicContact CE1-CG1 3.74Å; V388-V392 WeakPolarHBondContact O-CG2 3.42Å; V388-V392 PolarHBondContact O-N 3.48Å; K389-V392 WeakPolarHBondContact O-CB 3.49Å; K389-V392 PolarHBondContact O-N 3.01Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.49Å; V392-A395 PolarHBondContact O-N 3.29Å; V392-F396 PolarHBondContact O-N 2.92Å |
| 393 | F | 85.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 177.2 | -64.6 | -26.7 | 0 | 0 | 0 | 112.4 | F381 K389 A390 F396 S397 L443 S454 L461 | F381-F393 HydrophobicContact CB-CE1 4.42Å; F381-F393 HydrophobicContact CD1-CD1 4.18Å; F381-F393 AromaticContact CD1-CE1 3.87Å; F381-F393 HydrophobicContact CD1-CE1 3.87Å; F381-F393 AromaticContact CD2-CE1 3.82Å; F381-F393 HydrophobicContact CD2-CE1 3.82Å; F381-F393 AromaticContact CE1-CD1 3.94Å; F381-F393 HydrophobicContact CE1-CD1 3.94Å; F381-F393 HydrophobicContact CE1-CE1 4.03Å; F381-F393 HydrophobicContact CE2-CD1 4.35Å; F381-F393 AromaticContact CE2-CE1 3.97Å; F381-F393 HydrophobicContact CE2-CE1 3.97Å; F381-F393 AromaticContact CG-CE1 3.78Å; F381-F393 HydrophobicContact CG-CE1 3.78Å; F381-F393 HydrophobicContact CZ-CD1 4.03Å; F381-F393 HydrophobicContact CZ-CE1 4.07Å; K389-F393 HydrophobicContact CD-CE2 4.05Å; K389-F393 HydrophobicContact CD-CZ 4.07Å; K389-F393 HydrophobicContact CG-CD2 4.38Å; K389-F393 HydrophobicContact CG-CE1 4.46Å; K389-F393 HydrophobicContact CG-CE2 3.81Å; K389-F393 HydrophobicContact CG-CZ 3.88Å; K389-F393 WeakPolarHBondContact O-CG 3.27Å; K389-F393 PolarHBondContact O-N 3.29Å; A390-F393 PolarHBondContact O-N 3.19Å; F393-F396 PolarHBondContact O-N 3.5Å; F393-S397 WeakPolarHBondContact O-CB 3.29Å; F393-S397 PolarHBondContact O-N 3.33Å; F393-S397 PolarHBondContact O-OG 3.03Å; F393-L443 HydrophobicContact CE1-CD2 4.32Å; F393-S454 WeakPolarHBondContact CE2-O 3.33Å; F393-L461 HydrophobicContact CB-CD1 3.79Å; F393-L461 HydrophobicContact CB-CG 4.22Å; F393-L461 HydrophobicContact CD1-CD1 3.22Å; F393-L461 HydrophobicContact CD1-CG 4.47Å; F393-L461 HydrophobicContact CE1-CD1 3.83Å; F393-L461 HydrophobicContact CG-CD1 3.63Å; F393-L461 WeakPolarHBondContact O-CD2 3.46Å |
| 394 | A | 85 | Confident | 81.2 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 26% | 0.264 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -45.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A390 D391 V392 F396 S397 T398 | A390-A394 PolarHBondContact O-N 2.97Å; D391-A394 PolarHBondContact O-N 3.42Å; V392-A394 VanDerWaalsContact C-N 3.33Å; V392-A394 PolarHBondContact O-N 3.49Å; A394-F396 VanDerWaalsContact C-N 3.35Å; A394-F396 PolarHBondContact O-N 3.43Å; A394-S397 WeakPolarHBondContact O-CB 3.2Å; A394-S397 PolarHBondContact O-N 3.14Å; A394-T398 PolarHBondContact O-N 3.37Å; A394-T398 PolarHBondContact O-OG1 2.78Å |
| 395 | A | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I352 E356 D391 V392 T398 L399 | I352-A395 HydrophobicContact CG2-CB 3.86Å; E356-A395 HydrophobicContact CB-CB 4.01Å; D391-A395 WeakPolarHBondContact O-CB 3.43Å; D391-A395 PolarHBondContact O-N 3.32Å; V392-A395 PolarHBondContact O-N 3.29Å; A395-T398 PolarHBondContact O-N 2.94Å; A395-L399 PolarHBondContact O-N 3.32Å |
| 396 | F | 85.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 175.7 | -162.5 | -81.7 | 0 | 0 | 0 | 112.1 | L377 L378 F381 V392 F393 A394 T398 L399 L400 I439 L461 | L377-F396 HydrophobicContact CB-CD2 4.31Å; L377-F396 HydrophobicContact CD1-CD2 4.42Å; L378-F396 HydrophobicContact CD2-CD2 4.48Å; L378-F396 HydrophobicContact CD2-CE2 3.79Å; L378-F396 HydrophobicContact CD2-CZ 4.1Å; L378-F396 HydrophobicContact CG-CE2 3.99Å; F381-F396 HydrophobicContact CE1-CD2 4.47Å; F381-F396 HydrophobicContact CZ-CD2 4.24Å; F381-F396 HydrophobicContact CZ-CG 4.23Å; V392-F396 PolarHBondContact O-N 2.92Å; F393-F396 PolarHBondContact O-N 3.5Å; A394-F396 VanDerWaalsContact C-N 3.35Å; A394-F396 PolarHBondContact O-N 3.43Å; F396-T398 VanDerWaalsContact C-N 3.26Å; F396-T398 PolarHBondContact O-N 3.17Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 2.91Å; F396-L399 VanDerWaalsContact O-N 3.11Å; F396-L400 HydrophobicContact CD1-CD1 3.84Å; F396-L400 HydrophobicContact CD1-CG 3.97Å; F396-L400 HydrophobicContact CE1-CD1 3.83Å; F396-L400 HydrophobicContact CE1-CD2 4.03Å; F396-L400 HydrophobicContact CE1-CG 3.91Å; F396-L400 WeakPolarHBondContact O-CG 3.48Å; F396-L400 PolarHBondContact O-N 3.45Å; F396-I439 HydrophobicContact CE1-CD1 4.16Å; F396-I439 HydrophobicContact CZ-CD1 3.65Å; F396-I439 HydrophobicContact CZ-CG1 3.95Å; F396-L461 HydrophobicContact CB-CD2 3.94Å; F396-L461 HydrophobicContact CD1-CD2 3.57Å; F396-L461 HydrophobicContact CG-CD2 4.16Å |
| 397 | S | 84.9 | Confident | 78.1 | Confident | 15 Ų | 15 | 25.6 Ų | 25.6 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 173.2 | -58 | 0 | 0 | 0 | 0 | 111.7 | F393 A394 L400 R401 L461 | F393-S397 WeakPolarHBondContact O-CB 3.29Å; F393-S397 PolarHBondContact O-N 3.33Å; F393-S397 PolarHBondContact O-OG 3.03Å; A394-S397 WeakPolarHBondContact O-CB 3.2Å; A394-S397 PolarHBondContact O-N 3.14Å; S397-L400 PolarHBondContact O-N 2.97Å; S397-R401 WeakPolarHBondContact O-CB 3.38Å; S397-R401 WeakPolarHBondContact O-CG 3.36Å; S397-R401 PolarHBondContact O-N 2.95Å; S397-L461 VanDerWaalsContact OG-CD2 3.25Å; S397-L461 WeakPolarHBondContact OG-CD2 3.21Å |
| 398 | T | 84.1 | Confident | 76.2 | Confident | 11 Ų | 11 | 27 Ų | 27 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -36.3 | 175.1 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | E356 I359 A394 A395 F396 R401 Q402 | E356-T398 HydrophobicContact CG-CG2 4.09Å; E356-T398 PolarHBondContact OE1-OG1 3.29Å; E356-T398 VanDerWaalsContact OE1-OG1 3.05Å; I359-T398 HydrophobicContact CG2-CG2 4.24Å; A394-T398 PolarHBondContact O-N 3.37Å; A394-T398 PolarHBondContact O-OG1 2.78Å; A395-T398 PolarHBondContact O-N 2.94Å; F396-T398 VanDerWaalsContact C-N 3.26Å; F396-T398 PolarHBondContact O-N 3.17Å; T398-R401 PolarHBondContact O-N 2.93Å; T398-R401 PolarHBondContact OG1-NH2 2.92Å; T398-Q402 WeakPolarHBondContact O-CB 3.27Å; T398-Q402 PolarHBondContact O-N 3.48Å |
| 399 | L | 84.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 171.7 | -177.5 | 64.2 | 0 | 0 | 0 | 112.1 | I359 L366 F369 Y370 C374 A395 F396 Q402 T403 | I359-L399 HydrophobicContact CD1-CB 4.44Å; I359-L399 HydrophobicContact CG2-CB 3.92Å; I359-L399 HydrophobicContact CG2-CD1 3.85Å; L366-L399 HydrophobicContact CD2-CD1 4Å; F369-L399 HydrophobicContact CB-CD1 4.22Å; Y370-L399 HydrophobicContact CE1-CD2 4.13Å; Y370-L399 HydrophobicContact CE1-CG 4.43Å; Y370-L399 HydrophobicContact CE2-CD1 4.36Å; C374-L399 HydrophobicContact CB-CD2 4.28Å; A395-L399 PolarHBondContact O-N 3.32Å; F396-L399 WeakPolarHBondContact O-CB 3.41Å; F396-L399 PolarHBondContact O-N 2.91Å; F396-L399 VanDerWaalsContact O-N 3.11Å; L399-Q402 PolarHBondContact O-N 3.04Å; L399-T403 PolarHBondContact O-N 3.37Å; L399-T403 PolarHBondContact O-OG1 3.37Å |
| 400 | L | 82.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 176.4 | -66.6 | 177.7 | 0 | 0 | 0 | 111.7 | F396 S397 Q402 T403 R404 L432 L461 E464 V465 T468 | F396-L400 HydrophobicContact CD1-CD1 3.84Å; F396-L400 HydrophobicContact CD1-CG 3.97Å; F396-L400 HydrophobicContact CE1-CD1 3.83Å; F396-L400 HydrophobicContact CE1-CD2 4.03Å; F396-L400 HydrophobicContact CE1-CG 3.91Å; F396-L400 WeakPolarHBondContact O-CG 3.48Å; F396-L400 PolarHBondContact O-N 3.45Å; S397-L400 PolarHBondContact O-N 2.97Å; L400-Q402 VanDerWaalsContact C-N 3.28Å; L400-Q402 PolarHBondContact O-N 3.3Å; L400-T403 WeakPolarHBondContact O-CB 3.46Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-T403 VanDerWaalsContact O-N 3.11Å; L400-R404 PolarHBondContact O-N 2.78Å; L400-L432 HydrophobicContact CD2-CD1 3.64Å; L400-L432 HydrophobicContact CD2-CD2 3.76Å; L400-L432 HydrophobicContact CD2-CG 4.38Å; L400-L461 HydrophobicContact CD1-CD2 4.39Å; L400-E464 HydrophobicContact CB-CB 4.3Å; L400-E464 HydrophobicContact CD1-CB 3.85Å; L400-V465 HydrophobicContact CD1-CG2 3.57Å; L400-V465 HydrophobicContact CD2-CG2 4.32Å; L400-T468 HydrophobicContact CB-CG2 4.1Å; L400-T468 VanDerWaalsContact O-CG2 3.28Å; L400-T468 WeakPolarHBondContact O-CG2 3.4Å |
| 401 | R | 81.7 | Confident | 69.1 | Low | 131 Ų | 131 | 43.2 Ų | 43.2 | 49% | 0.494 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.5 | -74.1 | -175.9 | -64 | -172 | 0.7 | 112.4 | S397 T398 T403 R404 G405 E464 | S397-R401 WeakPolarHBondContact O-CB 3.38Å; S397-R401 WeakPolarHBondContact O-CG 3.36Å; S397-R401 PolarHBondContact O-N 2.95Å; T398-R401 PolarHBondContact O-N 2.93Å; T398-R401 PolarHBondContact OG1-NH2 2.92Å; R401-T403 VanDerWaalsContact C-N 3.34Å; R401-R404 WeakPolarHBondContact O-CB 3.47Å; R401-R404 PolarHBondContact O-N 3.14Å; R401-G405 PolarHBondContact O-N 3.39Å; R401-E464 WeakPolarHBondContact CG-OE2 3.25Å |
| 402 | Q | 77.3 | Confident | 66.9 | Low | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 176.6 | -167.1 | 74.4 | -53.2 | 0 | 0 | 112 | I359 S360 R363 L366 T398 L399 L400 R404 G405 | I359-Q402 PolarHBondContact O-NE2 3.4Å; S360-Q402 PolarHBondContact O-NE2 3.36Å; R363-Q402 HydrophobicContact CG-CG 3.89Å; R363-Q402 VanDerWaalsContact NE-CD 3.27Å; R363-Q402 VanDerWaalsContact NH2-OE1 3.07Å; L366-Q402 HydrophobicContact CD1-CG 4.24Å; L366-Q402 HydrophobicContact CD2-CB 4.26Å; L366-Q402 HydrophobicContact CD2-CG 3.9Å; L366-Q402 HydrophobicContact CG-CG 4.46Å; T398-Q402 WeakPolarHBondContact O-CB 3.27Å; T398-Q402 PolarHBondContact O-N 3.48Å; L399-Q402 PolarHBondContact O-N 3.04Å; L400-Q402 VanDerWaalsContact C-N 3.28Å; L400-Q402 PolarHBondContact O-N 3.3Å; Q402-R404 VanDerWaalsContact C-N 3.34Å; Q402-G405 PolarHBondContact O-N 3.4Å |
| 403 | T | 76.9 | Confident | 64.4 | Low | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 174.4 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | Y370 L399 L400 R401 G405 G406 A428 V429 | Y370-T403 HydrophobicContact CE2-CG2 4.36Å; Y370-T403 WeakPolarHBondContact CE2-OG1 3.38Å; Y370-T403 WeakPolarHBondContact OH-CB 3.05Å; Y370-T403 PolarHBondContact OH-OG1 2.93Å; L399-T403 PolarHBondContact O-N 3.37Å; L399-T403 PolarHBondContact O-OG1 3.37Å; L400-T403 WeakPolarHBondContact O-CB 3.46Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-T403 VanDerWaalsContact O-N 3.11Å; R401-T403 VanDerWaalsContact C-N 3.34Å; T403-G405 VanDerWaalsContact C-N 3.31Å; T403-G405 PolarHBondContact O-N 3.24Å; T403-G406 PolarHBondContact O-N 2.77Å; T403-A428 HydrophobicContact CG2-CB 4.13Å; T403-V429 HydrophobicContact CG2-CG2 4.22Å |
| 404 | R | 69.4 | Low | 61.6 | Low | 76 Ų | 76 | 55.5 Ų | 55.5 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 171.2 | -167.9 | 177.6 | 170.8 | -175.3 | -1.4 | 112.6 | L400 R401 Q402 G406 S407 L412 T468 | L400-R404 PolarHBondContact O-N 2.78Å; R401-R404 WeakPolarHBondContact O-CB 3.47Å; R401-R404 PolarHBondContact O-N 3.14Å; Q402-R404 VanDerWaalsContact C-N 3.34Å; R404-G406 PolarHBondContact O-N 3Å; R404-S407 CarbonylContact O-C 3.58Å; R404-S407 PolarHBondContact O-N 3.37Å; R404-S407 VanDerWaalsContact O-N 3.1Å; R404-L412 VanDerWaalsContact NH2-CD1 3.31Å; R404-T468 HydrophobicContact CB-CG2 3.98Å |
| 405 | G | 56.8 | Low | 58.9 | Low | 28 Ų | 28 | 58.8 Ų | 58.8 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R401 Q402 T403 | R401-G405 PolarHBondContact O-N 3.39Å; Q402-G405 PolarHBondContact O-N 3.4Å; T403-G405 VanDerWaalsContact C-N 3.31Å; T403-G405 PolarHBondContact O-N 3.24Å |
| 406 | G | 53.3 | Low | 56.2 | Low | 44 Ų | 44 | 64.2 Ų | 64.2 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -33.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T403 R404 S408 E426 | T403-G406 PolarHBondContact O-N 2.77Å; R404-G406 PolarHBondContact O-N 3Å; G406-S408 PolarHBondContact O-N 3.03Å; G406-E426 VanDerWaalsContact C-OE2 3.31Å |
| 407 | S | 49.4 | Very low | 53.2 | Low | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -86.6 | 104.7 | 174.8 | -173 | 0 | 0 | 0 | 0 | 110.2 | R404 H409 E426 | R404-S407 CarbonylContact O-C 3.58Å; R404-S407 PolarHBondContact O-N 3.37Å; R404-S407 VanDerWaalsContact O-N 3.1Å; S407-H409 PolarHBondContact O-N 3.09Å; S407-E426 PolarHBondContact N-OE2 2.86Å |
| 408 | S | 40.5 | Very low | 50.3 | Low | 90 Ų | 90 | 76.3 Ų | 76.3 | 63% | 0.629 | 44% | 0.444 | S | S | * | . | trans | -33.5 | 130.7 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | G406 H410 | G406-S408 PolarHBondContact O-N 3.03Å; S408-H410 PolarHBondContact O-N 3.3Å | ||
| 409 | H | 32.6 | Very low | 47.5 | Very low | 170 Ų | 170 | 82.5 Ų | 82.5 | 79% | 0.787 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 12.6 | -173.7 | -89.2 | -89.1 | 0 | 0 | 0 | 118.4 | S407 | S407-H409 PolarHBondContact O-N 3.09Š|
| 410 | H | 32.4 | Very low | 44.7 | Very low | 142 Ų | 142 | 86 Ų | 86 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.7 | -167.4 | -148.2 | 54.7 | 0 | 0 | 0 | 115.9 | S408 | S408-H410 PolarHBondContact O-N 3.3Š|
| 411 | S | 34.1 | Very low | 42.1 | Very low | 60 Ų | 60 | 91.9 Ų | 91.9 | 42% | 0.42 | 56% | 0.556 | S | S | . | * | trans | -84.5 | -17 | -170.6 | 167 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 412 | L | 36.7 | Very low | 39.6 | Very low | 80 Ų | 80 | 91.5 Ų | 91.5 | 42% | 0.419 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -84.6 | -10.9 | -170.2 | -69.3 | 168.8 | 0 | 0 | 0 | 115.3 | R404 Y467 | R404-L412 VanDerWaalsContact NH2-CD1 3.31Å; L412-Y467 HydrophobicContact CD1-CD1 3.73Å; L412-Y467 HydrophobicContact CD1-CE1 3.97Å; L412-Y467 HydrophobicContact CD2-CD1 3.66Å; L412-Y467 HydrophobicContact CD2-CE1 4.18Å; L412-Y467 HydrophobicContact CG-CD1 4.37Å |
| 413 | I | 33.9 | Very low | 37.8 | Very low | 157 Ų | 157 | 99.9 Ų | 99.9 | 81% | 0.805 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -112.6 | -11.2 | -174.2 | -56.7 | 177.2 | 0 | 0 | 0 | 112.7 | ||
| 414 | A | 27.2 | Very low | 36 | Very low | 51 Ų | 51 | 108 Ų | 108 | 42% | 0.421 | 64% | 0.642 | S | S | . | * | trans | -106.4 | 30.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S416 | A414-S416 PolarHBondContact O-N 3.5Š| ||
| 415 | A | 28.4 | Very low | 35.1 | Very low | 102 Ų | 102 | 110 Ų | 110 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 4.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 416 | S | 27.5 | Very low | 35.3 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 23.2 | -175.3 | 63.5 | 0 | 0 | 0 | 0 | 115.3 | A414 | A414-S416 PolarHBondContact O-N 3.5Š|
| 417 | S | 24 | Very low | 35.7 | Very low | 87 Ų | 87 | 114 Ų | 114 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -142.8 | 110 | 175.4 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 418 | E | 22.8 | Very low | 36.5 | Very low | 184 Ų | 184 | 111.5 Ų | 111.5 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | 60.4 | 116.6 | 162.2 | -59.4 | -166.4 | 167.6 | 0 | 0 | 119.9 | G420 | E418-G420 PolarHBondContact O-N 3.18Š| ||
| 419 | P | 25.2 | Very low | 37.9 | Very low | 141 Ų | 141 | 108.2 Ų | 108.2 | 92% | 0.916 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -81.2 | 104.3 | 168.9 | 31.9 | -27 | 0 | 0 | 0 | 109.2 | ||
| 420 | G | 26.6 | Very low | 39.8 | Very low | 72 Ų | 72 | 102.4 Ų | 102.4 | 74% | 0.742 | 60% | 0.602 | S | S | * | * | trans | -176.2 | -5.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | E418 | E418-G420 PolarHBondContact O-N 3.18Š| ||
| 421 | T | 27.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 99 Ų | 99 | 77% | 0.767 | 59% | 0.588 | S | S | * | * | trans | -127.1 | 104 | 175.5 | 46.1 | 0 | 0 | 0 | 0 | 110.8 | R423 | T421-R423 VanDerWaalsContact C-N 3.28Å; T421-R423 PolarHBondContact O-N 2.93Å | ||
| 422 | S | 28.8 | Very low | 43.9 | Very low | 123 Ų | 123 | 96.1 Ų | 96.1 | 86% | 0.86 | 57% | 0.568 | S | S | * | * | trans | -63.4 | 88.2 | 168.5 | 52.1 | 0 | 0 | 0 | 0 | 109.1 | E424 | S422-E424 PolarHBondContact O-N 3.48Š| ||
| 423 | R | 39.8 | Very low | 45.9 | Very low | 193 Ų | 193 | 96 Ų | 96 | 73% | 0.728 | 56% | 0.564 | S | S | * | * | trans | -62.1 | 124.9 | 165.8 | -78.6 | 177.6 | 166.9 | 167 | -2.8 | 107.3 | T421 E425 | T421-R423 VanDerWaalsContact C-N 3.28Å; T421-R423 PolarHBondContact O-N 2.93Å; R423-E425 PolarHBondContact O-N 2.97Å | ||
| 424 | E | 40.2 | Very low | 48.1 | Very low | 175 Ų | 175 | 96 Ų | 96 | 82% | 0.818 | 56% | 0.558 | S | S | * | * | trans | -51.9 | 112 | 175.7 | -69.9 | 177.7 | 168.5 | 0 | 0 | 109.2 | S422 E426 | S422-E424 PolarHBondContact O-N 3.48Å; E424-E426 PolarHBondContact O-N 3.27Å | ||
| 425 | E | 50 | Low | 50.6 | Low | 118 Ų | 118 | 95.7 Ų | 95.7 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | trans | -66.7 | 130.3 | 178.1 | -63.4 | -169.4 | 160.7 | 0 | 0 | 109.1 | R423 K433 | R423-E425 PolarHBondContact O-N 2.97Å; E425-K433 IonicContact OE1-NZ 3.49Å; E425-K433 PolarHBondContact OE1-NZ 3.26Å; E425-K433 IonicContact OE2-NZ 3.91Å; E425-K433 PolarHBondContact OE2-NZ 3.18Å | ||
| 426 | E | 59.7 | Low | 53.1 | Low | 71 Ų | 71 | 91 Ų | 91 | 33% | 0.332 | 51% | 0.509 | S | S | . | . | trans | -59 | 134.2 | 176.7 | -164.7 | 173.2 | -171.5 | 0 | 0 | 109.5 | G406 S407 E424 A428 V429 A430 | G406-E426 VanDerWaalsContact C-OE2 3.31Å; S407-E426 PolarHBondContact N-OE2 2.86Å; E424-E426 PolarHBondContact O-N 3.27Å; E426-A428 PolarHBondContact O-N 2.98Å; E426-V429 HydrophobicContact CB-CG2 4.2Å; E426-V429 WeakPolarHBondContact O-CA 3.34Å; E426-V429 WeakPolarHBondContact O-CB 3.31Å; E426-V429 PolarHBondContact O-N 3.4Å; E426-A430 PolarHBondContact O-N 3.22Å | ||
| 427 | P | 63.7 | Low | 55.7 | Low | 83 Ų | 83 | 88.3 Ų | 88.3 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -26.3 | -172.6 | 21.5 | -33.5 | 0 | 0 | 0 | 113.4 | L367 A430 L431 | L367-P427 HydrophobicContact CD2-CB 4.31Å; L367-P427 HydrophobicContact CD2-CG 4.5Å; P427-A430 PolarHBondContact O-N 3.43Å; P427-L431 WeakPolarHBondContact O-CG 3.32Å; P427-L431 PolarHBondContact O-N 3.26Å; P427-L431 VanDerWaalsContact O-N 3.11Å |
| 428 | A | 64.6 | Low | 58.4 | Low | 5 Ų | 5 | 87.8 Ų | 87.8 | 4% | 0.041 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y370 T403 E426 L431 L432 | Y370-A428 HydrophobicContact CD2-CB 4.4Å; Y370-A428 HydrophobicContact CE2-CB 4.13Å; T403-A428 HydrophobicContact CG2-CB 4.13Å; E426-A428 PolarHBondContact O-N 2.98Å; A428-L431 PolarHBondContact O-N 3.35Å; A428-L432 WeakPolarHBondContact O-CB 3.44Å; A428-L432 PolarHBondContact O-N 2.97Å |
| 429 | V | 70.6 | Confident | 61.2 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 12% | 0.121 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.4 | -36.8 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | T403 E426 L432 K433 V469 | T403-V429 HydrophobicContact CG2-CG2 4.22Å; E426-V429 HydrophobicContact CB-CG2 4.2Å; E426-V429 WeakPolarHBondContact O-CA 3.34Å; E426-V429 WeakPolarHBondContact O-CB 3.31Å; E426-V429 PolarHBondContact O-N 3.4Å; V429-L432 PolarHBondContact O-N 3.35Å; V429-K433 WeakPolarHBondContact O-CG 3.34Å; V429-K433 PolarHBondContact O-N 2.7Å; V429-V469 HydrophobicContact CG1-CG1 4.42Å; V429-V469 HydrophobicContact CG1-CG2 4.04Å |
| 430 | A | 73.4 | Confident | 63.9 | Low | 48 Ų | 48 | 72.5 Ų | 72.5 | 40% | 0.397 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E426 P427 K434 | E426-A430 PolarHBondContact O-N 3.22Å; P427-A430 PolarHBondContact O-N 3.43Å; A430-K434 PolarHBondContact O-N 3.14Å |
| 431 | L | 73.8 | Confident | 66.6 | Low | 70 Ų | 70 | 77.2 Ų | 77.2 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 172.9 | -72.3 | 173.4 | 0 | 0 | 0 | 111.7 | L367 P427 A428 K433 K434 E435 | L367-L431 HydrophobicContact CD2-CD1 3.76Å; P427-L431 WeakPolarHBondContact O-CG 3.32Å; P427-L431 PolarHBondContact O-N 3.26Å; P427-L431 VanDerWaalsContact O-N 3.11Å; A428-L431 PolarHBondContact O-N 3.35Å; L431-K433 PolarHBondContact O-N 3.27Å; L431-K434 WeakPolarHBondContact O-CB 3.34Å; L431-K434 PolarHBondContact O-N 3.11Å; L431-E435 PolarHBondContact O-N 3.07Å |
| 432 | L | 78.8 | Confident | 69.1 | Low | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 176.6 | 179.9 | 63.7 | 0 | 0 | 0 | 111.4 | Y370 L400 A428 V429 K434 E435 V436 I439 V469 | Y370-L432 HydrophobicContact CE1-CB 4.17Å; Y370-L432 HydrophobicContact CE1-CD1 4Å; L400-L432 HydrophobicContact CD2-CD1 3.64Å; L400-L432 HydrophobicContact CD2-CD2 3.76Å; L400-L432 HydrophobicContact CD2-CG 4.38Å; A428-L432 WeakPolarHBondContact O-CB 3.44Å; A428-L432 PolarHBondContact O-N 2.97Å; V429-L432 PolarHBondContact O-N 3.35Å; L432-K434 PolarHBondContact O-N 3.43Å; L432-E435 CarbonylContact O-C 3.56Å; L432-E435 PolarHBondContact O-N 3.14Å; L432-V436 WeakPolarHBondContact O-CG2 3.44Å; L432-V436 PolarHBondContact O-N 3.17Å; L432-I439 HydrophobicContact CD1-CD1 4.06Å; L432-V469 HydrophobicContact CD2-CG2 3.62Å; L432-V469 HydrophobicContact CG-CG2 4.26Å |
| 433 | K | 77.9 | Confident | 71.6 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.2 | -39.5 | 176.1 | -79.6 | -179.9 | -179 | -179.7 | 0 | 112.7 | E425 V429 L431 E435 V436 V469 | E425-K433 IonicContact OE1-NZ 3.49Å; E425-K433 PolarHBondContact OE1-NZ 3.26Å; E425-K433 IonicContact OE2-NZ 3.91Å; E425-K433 PolarHBondContact OE2-NZ 3.18Å; V429-K433 WeakPolarHBondContact O-CG 3.34Å; V429-K433 PolarHBondContact O-N 2.7Å; L431-K433 PolarHBondContact O-N 3.27Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E435 PolarHBondContact O-N 2.96Å; K433-V436 PolarHBondContact O-N 3.03Å; K433-V469 HydrophobicContact CD-CG1 4.25Å; K433-V469 VanDerWaalsContact CE-CG1 3.49Å; K433-V469 HydrophobicContact CG-CG1 3.8Å |
| 434 | K | 80.8 | Confident | 73.6 | Confident | 158 Ų | 158 | 59.7 Ų | 59.7 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.5 | -33.3 | 177.1 | -171.7 | -178.2 | 175.1 | -172.3 | 0 | 112.5 | A430 L431 L432 P437 | A430-K434 PolarHBondContact O-N 3.14Å; L431-K434 WeakPolarHBondContact O-CB 3.34Å; L431-K434 PolarHBondContact O-N 3.11Å; L432-K434 PolarHBondContact O-N 3.43Å; K434-P437 WeakPolarHBondContact O-CD 3.4Å |
| 435 | E | 78.3 | Confident | 75.4 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84.9 | -15.6 | -179.8 | -62.4 | -58.7 | 139.6 | 0 | 0 | 113.4 | L431 L432 K433 V438 I439 | L431-E435 PolarHBondContact O-N 3.07Å; L432-E435 CarbonylContact O-C 3.56Å; L432-E435 PolarHBondContact O-N 3.14Å; K433-E435 VanDerWaalsContact C-N 3.31Å; K433-E435 PolarHBondContact O-N 2.96Å; E435-V438 WeakPolarHBondContact O-CB 3.41Å; E435-V438 PolarHBondContact O-N 2.83Å; E435-I439 HydrophobicContact CB-CD1 4.22Å; E435-I439 VanDerWaalsContact O-CG1 3.31Å; E435-I439 WeakPolarHBondContact O-CG1 3.27Å; E435-I439 PolarHBondContact O-N 3.19Å |
| 436 | V | 81 | Confident | 76.7 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -50.7 | -46.1 | -179.1 | 172.5 | 0 | 0 | 0 | 0 | 113.7 | L432 K433 V438 I439 V440 V465 A472 L473 | L432-V436 WeakPolarHBondContact O-CG2 3.44Å; L432-V436 PolarHBondContact O-N 3.17Å; K433-V436 PolarHBondContact O-N 3.03Å; V436-V438 VanDerWaalsContact C-N 3.29Å; V436-V438 PolarHBondContact O-N 3.4Å; V436-I439 WeakPolarHBondContact O-CB 3.29Å; V436-I439 PolarHBondContact O-N 3.29Å; V436-V440 HydrophobicContact CG1-CG2 4.12Å; V436-V440 WeakPolarHBondContact O-CG2 3.44Å; V436-V440 PolarHBondContact O-N 3.1Å; V436-V465 HydrophobicContact CG2-CG1 4.44Å; V436-A472 HydrophobicContact CG2-CB 4.25Å; V436-L473 HydrophobicContact CG1-CD2 3.92Å |
| 437 | P | 81.6 | Confident | 77.4 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 179.3 | -24.3 | 34.8 | 0 | 0 | 0 | 113.4 | K434 K441 H476 | K434-P437 WeakPolarHBondContact O-CD 3.4Å; P437-K441 WeakPolarHBondContact O-CB 3.49Å; P437-K441 PolarHBondContact O-N 2.95Å; P437-H476 WeakPolarHBondContact CA-NE2 3.28Å |
| 438 | V | 81 | Confident | 77.9 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 46% | 0.461 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | L378 E435 V436 V440 K441 A442 | L378-V438 HydrophobicContact CD1-CG1 4.31Å; E435-V438 WeakPolarHBondContact O-CB 3.41Å; E435-V438 PolarHBondContact O-N 2.83Å; V436-V438 VanDerWaalsContact C-N 3.29Å; V436-V438 PolarHBondContact O-N 3.4Å; V438-V440 PolarHBondContact O-N 3.49Å; V438-K441 PolarHBondContact O-N 2.89Å; V438-A442 WeakPolarHBondContact O-CB 3.32Å; V438-A442 PolarHBondContact O-N 3.42Å |
| 439 | I | 82.7 | Confident | 78.4 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -49.4 | 175.3 | -61.8 | 164.5 | 0 | 0 | 0 | 110 | L378 F396 L432 E435 V436 K441 A442 L443 | L378-I439 HydrophobicContact CD1-CG1 3.95Å; L378-I439 HydrophobicContact CD2-CB 4.33Å; L378-I439 HydrophobicContact CD2-CG1 3.72Å; L378-I439 HydrophobicContact CG-CG1 4.49Å; F396-I439 HydrophobicContact CE1-CD1 4.16Å; F396-I439 HydrophobicContact CZ-CD1 3.65Å; F396-I439 HydrophobicContact CZ-CG1 3.95Å; L432-I439 HydrophobicContact CD1-CD1 4.06Å; E435-I439 HydrophobicContact CB-CD1 4.22Å; E435-I439 VanDerWaalsContact O-CG1 3.31Å; E435-I439 WeakPolarHBondContact O-CG1 3.27Å; E435-I439 PolarHBondContact O-N 3.19Å; V436-I439 WeakPolarHBondContact O-CB 3.29Å; V436-I439 PolarHBondContact O-N 3.29Å; I439-K441 PolarHBondContact O-N 3.07Å; I439-A442 PolarHBondContact O-N 3.35Å; I439-L443 HydrophobicContact CG2-CD1 3.67Å; I439-L443 HydrophobicContact CG2-CG 4.32Å; I439-L443 WeakPolarHBondContact O-CB 3.45Å; I439-L443 VanDerWaalsContact O-CG 3.28Å; I439-L443 WeakPolarHBondContact O-CG 2.89Å; I439-L443 PolarHBondContact O-N 2.82Å |
| 440 | V | 81.7 | Confident | 78.4 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -38.8 | -178.1 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | V436 V438 A442 L443 H444 L473 H476 L480 | V436-V440 HydrophobicContact CG1-CG2 4.12Å; V436-V440 WeakPolarHBondContact O-CG2 3.44Å; V436-V440 PolarHBondContact O-N 3.1Å; V438-V440 PolarHBondContact O-N 3.49Å; V440-A442 VanDerWaalsContact C-N 3.35Å; V440-A442 PolarHBondContact O-N 2.98Å; V440-L443 PolarHBondContact O-N 2.94Å; V440-H444 WeakPolarHBondContact O-CB 3.12Å; V440-H444 PolarHBondContact O-N 3.31Å; V440-L473 HydrophobicContact CG2-CD2 3.6Å; V440-H476 HydrophobicContact CB-CB 4.32Å; V440-H476 HydrophobicContact CG1-CB 3.72Å; V440-H476 HydrophobicContact CG2-CB 4.29Å; V440-L480 HydrophobicContact CG1-CD2 3.95Å; V440-L480 HydrophobicContact CG1-CG 4.25Å |
| 441 | K | 82.8 | Confident | 78.5 | Confident | 171 Ų | 171 | 60.9 Ų | 60.9 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.3 | -44.1 | 174.5 | -171.7 | 178 | 180 | -178.3 | 0 | 111.6 | P437 V438 I439 | P437-K441 WeakPolarHBondContact O-CB 3.49Å; P437-K441 PolarHBondContact O-N 2.95Å; V438-K441 PolarHBondContact O-N 2.89Å; I439-K441 PolarHBondContact O-N 3.07Å |
| 442 | A | 79.8 | Confident | 78.7 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F381 V438 I439 V440 K445 | F381-A442 HydrophobicContact CD2-CB 3.96Å; V438-A442 WeakPolarHBondContact O-CB 3.32Å; V438-A442 PolarHBondContact O-N 3.42Å; I439-A442 PolarHBondContact O-N 3.35Å; V440-A442 VanDerWaalsContact C-N 3.35Å; V440-A442 PolarHBondContact O-N 2.98Å; A442-K445 PolarHBondContact O-N 3.35Å |
| 443 | L | 81.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.4 | -31.4 | 179.7 | -67.9 | 174.9 | 0 | 0 | 0 | 112.9 | F381 F393 I439 V440 K445 Q446 L447 C458 L461 L462 | F381-L443 HydrophobicContact CD2-CD2 3.77Å; F381-L443 HydrophobicContact CD2-CG 4.26Å; F381-L443 HydrophobicContact CE2-CD2 3.56Å; F381-L443 HydrophobicContact CE2-CG 3.97Å; F393-L443 HydrophobicContact CE1-CD2 4.32Å; I439-L443 HydrophobicContact CG2-CD1 3.67Å; I439-L443 HydrophobicContact CG2-CG 4.32Å; I439-L443 WeakPolarHBondContact O-CB 3.45Å; I439-L443 VanDerWaalsContact O-CG 3.28Å; I439-L443 WeakPolarHBondContact O-CG 2.89Å; I439-L443 PolarHBondContact O-N 2.82Å; V440-L443 PolarHBondContact O-N 2.94Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 3.21Å; L443-Q446 PolarHBondContact O-N 3.16Å; L443-Q446 VanDerWaalsContact O-N 3.08Å; L443-L447 WeakPolarHBondContact O-CG 3.26Å; L443-L447 PolarHBondContact O-N 3.5Å; L443-C458 HydrophobicContact CD2-CB 4.06Å; L443-L461 HydrophobicContact CD1-CB 4.39Å; L443-L461 HydrophobicContact CD2-CD1 4.09Å; L443-L462 HydrophobicContact CD1-CD2 3.56Å; L443-L462 HydrophobicContact CD1-CG 3.81Å |
| 444 | H | 80.7 | Confident | 78.6 | Confident | 46 Ų | 46 | 61 Ų | 61 | 21% | 0.213 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 177.4 | -178 | 73 | 0 | 0 | 0 | 112.5 | V440 Q446 K448 V479 | V440-H444 WeakPolarHBondContact O-CB 3.12Å; V440-H444 PolarHBondContact O-N 3.31Å; H444-Q446 VanDerWaalsContact C-N 3.3Å; H444-Q446 PolarHBondContact O-N 3.08Å; H444-K448 PolarHBondContact NE2-NZ 3.21Å; H444-V479 HydrophobicContact CB-CG1 3.9Å; H444-V479 PolarHBondContact CE1-O 3Å; H444-V479 VanDerWaalsContact CG-CG1 3.44Å; H444-V479 WeakPolarHBondContact ND1-CG1 3.3Å; H444-V479 PolarHBondContact ND1-O 3.3Å |
| 445 | K | 78.3 | Confident | 78.6 | Confident | 133 Ų | 133 | 53.7 Ų | 53.7 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 175.6 | -168.9 | 172.5 | -177.1 | 172.9 | 0 | 111.1 | A442 L443 | A442-K445 PolarHBondContact O-N 3.35Å; L443-K445 VanDerWaalsContact C-N 3.31Å; L443-K445 PolarHBondContact O-N 3.21Å |
| 446 | Q | 77 | Confident | 78.8 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.3 | -27.8 | -177.4 | -58.1 | -58.5 | -56.7 | 0 | 0 | 113.6 | F381 L443 H444 K448 E449 S454 C458 | F381-Q446 VanDerWaalsContact O-CD 3.27Å; F381-Q446 PolarHBondContact O-NE2 3.27Å; F381-Q446 PolarHBondContact O-OE1 3.06Å; L443-Q446 PolarHBondContact O-N 3.16Å; L443-Q446 VanDerWaalsContact O-N 3.08Å; H444-Q446 VanDerWaalsContact C-N 3.3Å; H444-Q446 PolarHBondContact O-N 3.08Å; Q446-K448 PolarHBondContact O-N 2.92Å; Q446-E449 VanDerWaalsContact O-CB 3.25Å; Q446-E449 WeakPolarHBondContact O-CB 3.34Å; Q446-E449 PolarHBondContact O-N 3.06Å; Q446-E449 VanDerWaalsContact O-N 3.11Å; Q446-E449 PolarHBondContact OE1-OE2 3.43Å; Q446-S454 PolarHBondContact OE1-OG 2.94Å; Q446-C458 VanDerWaalsContact CB-SG 3.51Å |
| 447 | L | 74.8 | Confident | 78.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -21.3 | 179.1 | -78.9 | 172.2 | 0 | 0 | 0 | 113.8 | L443 R455 C458 F459 L462 L480 | L443-L447 WeakPolarHBondContact O-CG 3.26Å; L443-L447 PolarHBondContact O-N 3.5Å; L447-R455 WeakPolarHBondContact O-CD 3.29Å; L447-C458 HydrophobicContact CD2-CB 3.69Å; L447-C458 HydrophobicContact CG-CB 4.23Å; L447-F459 HydrophobicContact CD2-CD1 4.27Å; L447-F459 HydrophobicContact CD2-CE1 3.81Å; L447-F459 HydrophobicContact CD2-CE2 4.35Å; L447-F459 HydrophobicContact CD2-CZ 3.86Å; L447-L462 HydrophobicContact CD1-CD1 4.21Å; L447-L480 HydrophobicContact CD1-CD2 3.79Å |
| 448 | K | 74 | Confident | 78.8 | Confident | 118 Ų | 118 | 51.6 Ų | 51.6 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 3.7 | 177.8 | -62.7 | 178.9 | -178.3 | 169.3 | 0 | 113.3 | H444 Q446 | H444-K448 PolarHBondContact NE2-NZ 3.21Å; Q446-K448 PolarHBondContact O-N 2.92Å |
| 449 | E | 74.8 | Confident | 79 | Confident | 66 Ų | 66 | 48 Ų | 48 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -73.1 | 150.2 | -177.6 | -160.8 | 174.8 | -145.8 | 0 | 0 | 111.5 | K389 Q446 S451 S454 R455 | K389-E449 VanDerWaalsContact NZ-CD 3.25Å; K389-E449 IonicContact NZ-OE1 3.36Å; K389-E449 PolarHBondContact NZ-OE1 3.07Å; K389-E449 IonicContact NZ-OE2 3.91Å; K389-E449 PolarHBondContact NZ-OE2 3.39Å; Q446-E449 VanDerWaalsContact O-CB 3.25Å; Q446-E449 WeakPolarHBondContact O-CB 3.34Å; Q446-E449 PolarHBondContact O-N 3.06Å; Q446-E449 VanDerWaalsContact O-N 3.11Å; Q446-E449 PolarHBondContact OE1-OE2 3.43Å; E449-S451 VanDerWaalsContact C-N 3.26Å; E449-S451 PolarHBondContact O-N 3Å; E449-S454 WeakPolarHBondContact OE2-CB 3.34Å; E449-S454 PolarHBondContact OE2-OG 3.23Å; E449-R455 WeakPolarHBondContact O-CD 3.49Å; E449-R455 PolarHBondContact O-NE 3.32Å; E449-R455 VanDerWaalsContact O-NE 3.12Å |
| 450 | K | 70.6 | Confident | 79 | Confident | 203 Ų | 203 | 50.8 Ų | 50.8 | 88% | 0.883 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -62.9 | -32.9 | 179.4 | -68.6 | -177.8 | -179.8 | 176.6 | 0 | 111.9 | L452 R455 | K450-L452 PolarHBondContact O-N 3.49Å; K450-R455 PolarHBondContact O-NH2 3.45Å |
| 451 | S | 77 | Confident | 79.2 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | trans | -60.2 | 126.1 | -178.7 | 179.5 | 0 | 0 | 0 | 0 | 112.8 | E386 E449 K453 S454 R455 | E386-S451 WeakPolarHBondContact OE1-CB 3.44Å; E386-S451 PolarHBondContact OE1-OG 3.29Å; E449-S451 VanDerWaalsContact C-N 3.26Å; E449-S451 PolarHBondContact O-N 3Å; S451-K453 PolarHBondContact OG-N 2.88Å; S451-S454 PolarHBondContact OG-N 3.06Å; S451-R455 WeakPolarHBondContact O-CG 3.47Å; S451-R455 PolarHBondContact O-N 3.38Å; S451-R455 PolarHBondContact O-NE 3.34Å; S451-R455 VanDerWaalsContact O-NE 3.16Å | ||
| 452 | L | 76.5 | Confident | 79.2 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 175.3 | -66.6 | 170.1 | 0 | 0 | 0 | 111.4 | K450 R455 Q456 M497 | K450-L452 PolarHBondContact O-N 3.49Å; L452-R455 VanDerWaalsContact CD2-NH2 3.35Å; L452-R455 PolarHBondContact O-N 3.23Å; L452-Q456 WeakPolarHBondContact O-CG 3.27Å; L452-Q456 PolarHBondContact O-N 3.48Å; L452-M497 HydrophobicContact CB-SD 4.47Å; L452-M497 HydrophobicContact CD2-CE 4.11Å; L452-M497 HydrophobicContact CD2-SD 3.48Å; L452-M497 WeakPolarHBondContact CD2-SD 3.3Å |
| 453 | K | 77 | Confident | 79.5 | Confident | 88 Ų | 88 | 42.2 Ų | 42.2 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.1 | -37.7 | -176 | -158.9 | 177 | -173.4 | 175.5 | 0 | 111.8 | N387 A390 S451 G457 | N387-K453 PolarHBondContact OD1-NZ 3.06Å; A390-K453 HydrophobicContact CB-CD 4.41Å; A390-K453 HydrophobicContact CB-CG 4.5Å; S451-K453 PolarHBondContact OG-N 2.88Å; K453-G457 PolarHBondContact O-N 3.23Å |
| 454 | S | 79.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 173.6 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | K389 F393 Q446 E449 S451 Q456 G457 C458 | K389-S454 VanDerWaalsContact CD-OG 3.32Å; K389-S454 WeakPolarHBondContact CD-OG 3.29Å; F393-S454 WeakPolarHBondContact CE2-O 3.33Å; Q446-S454 PolarHBondContact OE1-OG 2.94Å; E449-S454 WeakPolarHBondContact OE2-CB 3.34Å; E449-S454 PolarHBondContact OE2-OG 3.23Å; S451-S454 PolarHBondContact OG-N 3.06Å; S454-Q456 PolarHBondContact O-N 2.74Å; S454-G457 PolarHBondContact O-N 3.14Å; S454-C458 PolarHBondContact O-N 3.18Å; S454-C458 PolarHBondContact O-SG 2.95Å |
| 455 | R | 80.3 | Confident | 79.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | 177.9 | -73.5 | -176.1 | -77.2 | 175.7 | -9.3 | 112.8 | L447 E449 K450 S451 L452 C458 F459 M497 | L447-R455 WeakPolarHBondContact O-CD 3.29Å; E449-R455 WeakPolarHBondContact O-CD 3.49Å; E449-R455 PolarHBondContact O-NE 3.32Å; E449-R455 VanDerWaalsContact O-NE 3.12Å; K450-R455 PolarHBondContact O-NH2 3.45Å; S451-R455 WeakPolarHBondContact O-CG 3.47Å; S451-R455 PolarHBondContact O-N 3.38Å; S451-R455 PolarHBondContact O-NE 3.34Å; S451-R455 VanDerWaalsContact O-NE 3.16Å; L452-R455 VanDerWaalsContact CD2-NH2 3.35Å; L452-R455 PolarHBondContact O-N 3.23Å; R455-C458 WeakPolarHBondContact O-CB 3.37Å; R455-C458 PolarHBondContact O-N 3.33Å; R455-F459 WeakPolarHBondContact O-CD2 3.4Å; R455-F459 PolarHBondContact O-N 3.47Å; R455-F459 VanDerWaalsContact O-N 3.07Å; R455-M497 HydrophobicContact CB-SD 3.93Å |
| 456 | Q | 81.7 | Confident | 79.8 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -46 | 174.6 | -73.2 | -174.8 | -57.8 | 0 | 0 | 112 | L452 S454 C458 F459 C460 T496 M497 D500 | L452-Q456 WeakPolarHBondContact O-CG 3.27Å; L452-Q456 PolarHBondContact O-N 3.48Å; S454-Q456 PolarHBondContact O-N 2.74Å; Q456-C458 VanDerWaalsContact C-N 3.27Å; Q456-C458 PolarHBondContact O-N 2.89Å; Q456-F459 PolarHBondContact O-N 3.25Å; Q456-F459 VanDerWaalsContact O-N 3.16Å; Q456-C460 PolarHBondContact O-N 2.87Å; Q456-C460 PolarHBondContact O-SG 2.93Å; Q456-C460 VanDerWaalsContact O-SG 3.37Å; Q456-T496 PolarHBondContact NE2-OG1 2.94Å; Q456-M497 HydrophobicContact CG-CB 4.03Å; Q456-M497 HydrophobicContact CG-CG 4.03Å; Q456-D500 PolarHBondContact NE2-OD2 3.3Å |
| 457 | G | 80.5 | Confident | 79.9 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K453 S454 C460 L461 | K453-G457 PolarHBondContact O-N 3.23Å; S454-G457 PolarHBondContact O-N 3.14Å; G457-C460 PolarHBondContact O-N 2.86Å; G457-L461 WeakPolarHBondContact O-CB 3.33Å; G457-L461 VanDerWaalsContact O-CG 3.31Å; G457-L461 WeakPolarHBondContact O-CG 3.25Å; G457-L461 PolarHBondContact O-N 3.43Å |
| 458 | C | 83.4 | Confident | 80 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 173.9 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | L443 Q446 L447 S454 R455 Q456 L461 L462 | L443-C458 HydrophobicContact CD2-CB 4.06Å; Q446-C458 VanDerWaalsContact CB-SG 3.51Å; L447-C458 HydrophobicContact CD2-CB 3.69Å; L447-C458 HydrophobicContact CG-CB 4.23Å; S454-C458 PolarHBondContact O-N 3.18Å; S454-C458 PolarHBondContact O-SG 2.95Å; R455-C458 WeakPolarHBondContact O-CB 3.37Å; R455-C458 PolarHBondContact O-N 3.33Å; Q456-C458 VanDerWaalsContact C-N 3.27Å; Q456-C458 PolarHBondContact O-N 2.89Å; C458-L461 PolarHBondContact O-N 3.43Å; C458-L462 VanDerWaalsContact O-CG 3.29Å; C458-L462 WeakPolarHBondContact O-CG 3.44Å; C458-L462 PolarHBondContact O-N 3.43Å |
| 459 | F | 83.8 | Confident | 80 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.2 | -70.1 | -55.2 | 0 | 0 | 0 | 112.5 | L447 R455 Q456 L461 L462 T463 I484 S487 A501 F504 | L447-F459 HydrophobicContact CD2-CD1 4.27Å; L447-F459 HydrophobicContact CD2-CE1 3.81Å; L447-F459 HydrophobicContact CD2-CE2 4.35Å; L447-F459 HydrophobicContact CD2-CZ 3.86Å; R455-F459 WeakPolarHBondContact O-CD2 3.4Å; R455-F459 PolarHBondContact O-N 3.47Å; R455-F459 VanDerWaalsContact O-N 3.07Å; Q456-F459 PolarHBondContact O-N 3.25Å; Q456-F459 VanDerWaalsContact O-N 3.16Å; F459-L461 VanDerWaalsContact C-N 3.34Å; F459-L461 PolarHBondContact O-N 3.32Å; F459-L462 PolarHBondContact O-N 2.69Å; F459-T463 VanDerWaalsContact O-CB 3.26Å; F459-T463 WeakPolarHBondContact O-CB 3.35Å; F459-T463 PolarHBondContact O-N 2.92Å; F459-T463 PolarHBondContact O-OG1 3.4Å; F459-I484 HydrophobicContact CE1-CG1 4.13Å; F459-S487 WeakPolarHBondContact CZ-OG 3.48Å; F459-A501 HydrophobicContact CD2-CB 4.15Å; F459-A501 HydrophobicContact CE1-CB 4.26Å; F459-A501 HydrophobicContact CE2-CB 3.75Å; F459-A501 HydrophobicContact CZ-CB 3.81Å; F459-F504 HydrophobicContact CB-CB 4.25Å; F459-F504 HydrophobicContact CD1-CB 4.07Å; F459-F504 AromaticContact CD1-CD1 3.51Å; F459-F504 HydrophobicContact CD1-CD1 3.51Å; F459-F504 HydrophobicContact CD1-CE1 4.26Å; F459-F504 AromaticContact CD1-CG 3.97Å; F459-F504 HydrophobicContact CD1-CG 3.97Å; F459-F504 AromaticContact CE1-CD1 3.94Å; F459-F504 HydrophobicContact CE1-CD1 3.94Å; F459-F504 HydrophobicContact CE1-CE1 4.5Å |
| 460 | C | 83.7 | Confident | 80.1 | Confident | 60 Ų | 60 | 34.3 Ų | 34.3 | 41% | 0.405 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | Q456 G457 T463 E464 | Q456-C460 PolarHBondContact O-N 2.87Å; Q456-C460 PolarHBondContact O-SG 2.93Å; Q456-C460 VanDerWaalsContact O-SG 3.37Å; G457-C460 PolarHBondContact O-N 2.86Å; C460-T463 WeakPolarHBondContact O-CB 3.06Å; C460-T463 PolarHBondContact O-N 2.72Å; C460-E464 WeakPolarHBondContact O-CG 3.23Å; C460-E464 PolarHBondContact O-N 3.45Å |
| 461 | L | 84.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 177.3 | -79.5 | 174.9 | 0 | 0 | 0 | 112.7 | F381 F393 F396 S397 L400 L443 G457 C458 F459 T463 E464 V465 | F381-L461 HydrophobicContact CE2-CD1 4.11Å; F381-L461 HydrophobicContact CZ-CD1 3.89Å; F393-L461 HydrophobicContact CB-CD1 3.79Å; F393-L461 HydrophobicContact CB-CG 4.22Å; F393-L461 HydrophobicContact CD1-CD1 3.22Å; F393-L461 HydrophobicContact CD1-CG 4.47Å; F393-L461 HydrophobicContact CE1-CD1 3.83Å; F393-L461 HydrophobicContact CG-CD1 3.63Å; F393-L461 WeakPolarHBondContact O-CD2 3.46Å; F396-L461 HydrophobicContact CB-CD2 3.94Å; F396-L461 HydrophobicContact CD1-CD2 3.57Å; F396-L461 HydrophobicContact CG-CD2 4.16Å; S397-L461 VanDerWaalsContact OG-CD2 3.25Å; S397-L461 WeakPolarHBondContact OG-CD2 3.21Å; L400-L461 HydrophobicContact CD1-CD2 4.39Å; L443-L461 HydrophobicContact CD1-CB 4.39Å; L443-L461 HydrophobicContact CD2-CD1 4.09Å; G457-L461 WeakPolarHBondContact O-CB 3.33Å; G457-L461 VanDerWaalsContact O-CG 3.31Å; G457-L461 WeakPolarHBondContact O-CG 3.25Å; G457-L461 PolarHBondContact O-N 3.43Å; C458-L461 PolarHBondContact O-N 3.43Å; F459-L461 VanDerWaalsContact C-N 3.34Å; F459-L461 PolarHBondContact O-N 3.32Å; L461-T463 PolarHBondContact O-N 2.85Å; L461-E464 PolarHBondContact O-N 3.5Å; L461-V465 WeakPolarHBondContact O-CG2 3.2Å; L461-V465 PolarHBondContact O-N 3.47Å |
| 462 | L | 84.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -34.3 | 178.4 | -67.7 | 169.1 | 0 | 0 | 0 | 111.7 | L443 L447 C458 F459 V465 A466 L480 F504 | L443-L462 HydrophobicContact CD1-CD2 3.56Å; L443-L462 HydrophobicContact CD1-CG 3.81Å; L447-L462 HydrophobicContact CD1-CD1 4.21Å; C458-L462 VanDerWaalsContact O-CG 3.29Å; C458-L462 WeakPolarHBondContact O-CG 3.44Å; C458-L462 PolarHBondContact O-N 3.43Å; F459-L462 PolarHBondContact O-N 2.69Å; L462-V465 PolarHBondContact O-N 3.48Å; L462-A466 WeakPolarHBondContact O-CB 3.09Å; L462-A466 PolarHBondContact O-N 3.15Å; L462-L480 HydrophobicContact CD1-CD2 3.89Å; L462-L480 HydrophobicContact CD2-CD2 4.34Å; L462-F504 HydrophobicContact CB-CD2 3.79Å; L462-F504 HydrophobicContact CB-CE1 4.27Å; L462-F504 HydrophobicContact CB-CE2 3.25Å; L462-F504 HydrophobicContact CB-CZ 3.51Å; L462-F504 HydrophobicContact CD1-CE1 3.98Å; L462-F504 HydrophobicContact CD1-CE2 4.42Å; L462-F504 HydrophobicContact CD1-CZ 3.83Å; L462-F504 HydrophobicContact CG-CE2 4.4Å; L462-F504 HydrophobicContact CG-CZ 4.21Å |
| 463 | T | 84.8 | Confident | 79.9 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 10% | 0.104 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 174.2 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | F459 C460 L461 A466 Y467 F504 V507 | F459-T463 VanDerWaalsContact O-CB 3.26Å; F459-T463 WeakPolarHBondContact O-CB 3.35Å; F459-T463 PolarHBondContact O-N 2.92Å; F459-T463 PolarHBondContact O-OG1 3.4Å; C460-T463 WeakPolarHBondContact O-CB 3.06Å; C460-T463 PolarHBondContact O-N 2.72Å; L461-T463 PolarHBondContact O-N 2.85Å; T463-A466 PolarHBondContact O-N 2.87Å; T463-Y467 HydrophobicContact CG2-CD2 3.75Å; T463-Y467 HydrophobicContact CG2-CE2 3.38Å; T463-Y467 WeakPolarHBondContact O-CD2 3.15Å; T463-Y467 PolarHBondContact O-N 3.42Å; T463-F504 WeakPolarHBondContact OG1-CB 3.35Å; T463-F504 WeakPolarHBondContact OG1-CD2 3.45Å; T463-V507 HydrophobicContact CG2-CB 4.49Å; T463-V507 HydrophobicContact CG2-CG1 4.46Å; T463-V507 HydrophobicContact CG2-CG2 4.16Å |
| 464 | E | 82.4 | Confident | 79.8 | Confident | 40 Ų | 40 | 23.9 Ų | 23.9 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 175.8 | -70.4 | -62.1 | 149.1 | 0 | 0 | 112.3 | L400 R401 C460 L461 Y467 T468 | L400-E464 HydrophobicContact CB-CB 4.3Å; L400-E464 HydrophobicContact CD1-CB 3.85Å; R401-E464 WeakPolarHBondContact CG-OE2 3.25Å; C460-E464 WeakPolarHBondContact O-CG 3.23Å; C460-E464 PolarHBondContact O-N 3.45Å; L461-E464 PolarHBondContact O-N 3.5Å; E464-Y467 PolarHBondContact O-N 2.89Å; E464-T468 WeakPolarHBondContact O-CB 3.38Å; E464-T468 WeakPolarHBondContact O-CG2 3.45Å; E464-T468 PolarHBondContact O-N 3.21Å; E464-T468 PolarHBondContact O-OG1 3.45Å |
| 465 | V | 83.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 172.1 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L400 V436 L461 L462 Y467 T468 V469 L473 | L400-V465 HydrophobicContact CD1-CG2 3.57Å; L400-V465 HydrophobicContact CD2-CG2 4.32Å; V436-V465 HydrophobicContact CG2-CG1 4.44Å; L461-V465 WeakPolarHBondContact O-CG2 3.2Å; L461-V465 PolarHBondContact O-N 3.47Å; L462-V465 PolarHBondContact O-N 3.48Å; V465-Y467 VanDerWaalsContact C-N 3.29Å; V465-Y467 PolarHBondContact O-N 3.26Å; V465-T468 VanDerWaalsContact CA-OG1 3.3Å; V465-T468 WeakPolarHBondContact CA-OG1 3.15Å; V465-T468 PolarHBondContact O-N 3.5Å; V465-T468 PolarHBondContact O-OG1 3.25Å; V465-V469 PolarHBondContact O-N 3.18Å; V465-L473 HydrophobicContact CG1-CD2 4.24Å |
| 466 | A | 80.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -32.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L462 T463 L473 V507 | L462-A466 WeakPolarHBondContact O-CB 3.09Å; L462-A466 PolarHBondContact O-N 3.15Å; T463-A466 PolarHBondContact O-N 2.87Å; A466-L473 HydrophobicContact CB-CD1 4.24Å; A466-V507 HydrophobicContact CB-CG1 3.82Å |
| 467 | Y | 80.3 | Confident | 79.6 | Confident | 77 Ų | 77 | 31.1 Ų | 31.1 | 30% | 0.302 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -74.8 | -32.8 | 173.7 | -77.2 | -50.1 | 0 | 0 | 0 | 113.8 | L412 T463 E464 V465 V507 | L412-Y467 HydrophobicContact CD1-CD1 3.73Å; L412-Y467 HydrophobicContact CD1-CE1 3.97Å; L412-Y467 HydrophobicContact CD2-CD1 3.66Å; L412-Y467 HydrophobicContact CD2-CE1 4.18Å; L412-Y467 HydrophobicContact CG-CD1 4.37Å; T463-Y467 HydrophobicContact CG2-CD2 3.75Å; T463-Y467 HydrophobicContact CG2-CE2 3.38Å; T463-Y467 WeakPolarHBondContact O-CD2 3.15Å; T463-Y467 PolarHBondContact O-N 3.42Å; E464-Y467 PolarHBondContact O-N 2.89Å; V465-Y467 VanDerWaalsContact C-N 3.29Å; V465-Y467 PolarHBondContact O-N 3.26Å; Y467-V507 HydrophobicContact CD1-CG1 4.16Å; Y467-V507 HydrophobicContact CE1-CG1 3.9Å; Y467-V507 HydrophobicContact CE1-CG2 4.11Å; Y467-V507 HydrophobicContact CE2-CG1 4.32Å; Y467-V507 HydrophobicContact CE2-CG2 4.12Å; Y467-V507 HydrophobicContact CG-CG1 4.48Å; Y467-V507 WeakPolarHBondContact OH-CG2 3.35Å |
| 468 | T | 75.8 | Confident | 79.6 | Confident | 18 Ų | 18 | 33.6 Ų | 33.6 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -78.5 | -38.7 | -179.6 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | L400 R404 E464 V465 | L400-T468 HydrophobicContact CB-CG2 4.1Å; L400-T468 VanDerWaalsContact O-CG2 3.28Å; L400-T468 WeakPolarHBondContact O-CG2 3.4Å; R404-T468 HydrophobicContact CB-CG2 3.98Å; E464-T468 WeakPolarHBondContact O-CB 3.38Å; E464-T468 WeakPolarHBondContact O-CG2 3.45Å; E464-T468 PolarHBondContact O-N 3.21Å; E464-T468 PolarHBondContact O-OG1 3.45Å; V465-T468 VanDerWaalsContact CA-OG1 3.3Å; V465-T468 WeakPolarHBondContact CA-OG1 3.15Å; V465-T468 PolarHBondContact O-N 3.5Å; V465-T468 PolarHBondContact O-OG1 3.25Å |
| 469 | V | 75.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -133.2 | 87.7 | -179.7 | -162.9 | 0 | 0 | 0 | 0 | 110.2 | V429 L432 K433 V465 G471 A472 | V429-V469 HydrophobicContact CG1-CG1 4.42Å; V429-V469 HydrophobicContact CG1-CG2 4.04Å; L432-V469 HydrophobicContact CD2-CG2 3.62Å; L432-V469 HydrophobicContact CG-CG2 4.26Å; K433-V469 HydrophobicContact CD-CG1 4.25Å; K433-V469 VanDerWaalsContact CE-CG1 3.49Å; K433-V469 HydrophobicContact CG-CG1 3.8Å; V465-V469 PolarHBondContact O-N 3.18Å; V469-G471 PolarHBondContact O-N 2.99Å; V469-A472 HydrophobicContact CB-CB 3.83Å; V469-A472 HydrophobicContact CG1-CB 3.65Å; V469-A472 PolarHBondContact O-N 3.24Å |
| 470 | P | 75.4 | Confident | 79.4 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 43% | 0.429 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 129.5 | 176.7 | 26 | -32.5 | 0 | 0 | 0 | 109.9 | ||
| 471 | G | 71.1 | Confident | 79.3 | Confident | 28 Ų | 28 | 33.6 Ų | 33.6 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -10.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | V469 L473 E474 S511 | V469-G471 PolarHBondContact O-N 2.99Å; G471-L473 VanDerWaalsContact C-N 3.28Å; G471-L473 PolarHBondContact O-N 3.24Å; G471-E474 PolarHBondContact O-N 3.36Å; G471-S511 PolarHBondContact N-O 2.79Å |
| 472 | A | 72.7 | Confident | 79.2 | Confident | 28 Ų | 28 | 36.3 Ų | 36.3 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V436 V469 | V436-A472 HydrophobicContact CG2-CB 4.25Å; V469-A472 HydrophobicContact CB-CB 3.83Å; V469-A472 HydrophobicContact CG1-CB 3.65Å; V469-A472 PolarHBondContact O-N 3.24Å |
| 473 | L | 76.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.6 | -177.3 | -59.3 | 170.4 | 0 | 0 | 0 | 113 | V436 V440 V465 A466 G471 E475 H476 I477 L508 H512 | V436-L473 HydrophobicContact CG1-CD2 3.92Å; V440-L473 HydrophobicContact CG2-CD2 3.6Å; V465-L473 HydrophobicContact CG1-CD2 4.24Å; A466-L473 HydrophobicContact CB-CD1 4.24Å; G471-L473 VanDerWaalsContact C-N 3.28Å; G471-L473 PolarHBondContact O-N 3.24Å; L473-E475 PolarHBondContact O-N 3.14Å; L473-H476 CarbonylContact O-C 2.93Å; L473-H476 PolarHBondContact O-N 2.97Å; L473-I477 WeakPolarHBondContact O-CG1 3.48Å; L473-I477 PolarHBondContact O-N 3.49Å; L473-I477 VanDerWaalsContact O-N 3.07Å; L473-L508 HydrophobicContact CB-CD1 4.2Å; L473-L508 HydrophobicContact CD1-CD1 3.79Å; L473-H512 WeakPolarHBondContact CB-NE2 3.16Å; L473-H512 PolarHBondContact N-NE2 3.26Å |
| 474 | E | 75.4 | Confident | 79 | Confident | 90 Ų | 90 | 35.5 Ų | 35.5 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -54.4 | -47.6 | -172.5 | -170.6 | 167.5 | -171.4 | 0 | 0 | 113.2 | G471 H476 A516 | G471-E474 PolarHBondContact O-N 3.36Å; E474-H476 PolarHBondContact O-N 2.88Å; E474-A516 HydrophobicContact CG-CB 4.02Å |
| 475 | E | 77.8 | Confident | 79 | Confident | 170 Ų | 170 | 35 Ų | 35 | 79% | 0.794 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -68.2 | -20.7 | 179.7 | -62 | -175.3 | 173.8 | 0 | 0 | 113.3 | L473 | L473-E475 PolarHBondContact O-N 3.14Š|
| 476 | H | 79.4 | Confident | 79 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -106 | -1.5 | -174.3 | -56 | -59.7 | 0 | 0 | 0 | 114.2 | P437 V440 L473 E474 P478 V479 L480 | P437-H476 WeakPolarHBondContact CA-NE2 3.28Å; V440-H476 HydrophobicContact CB-CB 4.32Å; V440-H476 HydrophobicContact CG1-CB 3.72Å; V440-H476 HydrophobicContact CG2-CB 4.29Å; L473-H476 CarbonylContact O-C 2.93Å; L473-H476 PolarHBondContact O-N 2.97Å; E474-H476 PolarHBondContact O-N 2.88Å; H476-P478 VanDerWaalsContact C-N 3.32Å; H476-V479 PolarHBondContact O-N 3.41Å; H476-V479 VanDerWaalsContact O-N 3.07Å; H476-L480 PolarHBondContact O-N 2.91Å |
| 477 | I | 79.5 | Confident | 79 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -49.8 | -45.2 | 175.3 | -75.5 | 164.8 | 0 | 0 | 0 | 112.5 | L473 V479 L480 I481 H512 A516 F517 | L473-I477 WeakPolarHBondContact O-CG1 3.48Å; L473-I477 PolarHBondContact O-N 3.49Å; L473-I477 VanDerWaalsContact O-N 3.07Å; I477-V479 PolarHBondContact O-N 2.91Å; I477-L480 PolarHBondContact O-N 3.28Å; I477-I481 HydrophobicContact CG2-CD1 3.48Å; I477-I481 VanDerWaalsContact CG2-CD1 3.48Å; I477-I481 HydrophobicContact CG2-CG1 4.17Å; I477-I481 WeakPolarHBondContact O-CD1 3.41Å; I477-I481 VanDerWaalsContact O-CG1 3.27Å; I477-I481 WeakPolarHBondContact O-CG1 3.34Å; I477-I481 PolarHBondContact O-N 3.29Å; I477-I481 VanDerWaalsContact O-N 3.16Å; I477-H512 HydrophobicContact CD1-CB 4.36Å; I477-A516 HydrophobicContact CD1-CB 3.59Å; I477-F517 HydrophobicContact CD1-CD1 4.39Å; I477-F517 HydrophobicContact CD1-CE1 3.69Å; I477-F517 HydrophobicContact CD1-CE2 4.12Å; I477-F517 HydrophobicContact CD1-CZ 3.53Å; I477-F517 HydrophobicContact CG1-CE1 4.02Å; I477-F517 HydrophobicContact CG1-CZ 4.24Å; I477-F517 HydrophobicContact CG2-CD1 3.96Å; I477-F517 HydrophobicContact CG2-CE1 3.89Å |
| 478 | P | 81.3 | Confident | 79 | Confident | 65 Ų | 65 | 35.5 Ų | 35.5 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.2 | -32.6 | -179.7 | -24.8 | 34.4 | 0 | 0 | 0 | 113.9 | H476 P482 | H476-P478 VanDerWaalsContact C-N 3.32Å; P478-P482 WeakPolarHBondContact O-CD 3.45Å |
| 479 | V | 81.1 | Confident | 79.2 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -80 | -29.1 | -177 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | H444 H476 I477 | H444-V479 HydrophobicContact CB-CG1 3.9Å; H444-V479 PolarHBondContact CE1-O 3Å; H444-V479 VanDerWaalsContact CG-CG1 3.44Å; H444-V479 WeakPolarHBondContact ND1-CG1 3.3Å; H444-V479 PolarHBondContact ND1-O 3.3Å; H476-V479 PolarHBondContact O-N 3.41Å; H476-V479 VanDerWaalsContact O-N 3.07Å; I477-V479 PolarHBondContact O-N 2.91Å |
| 480 | L | 81.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -82.5 | -31.5 | -179.5 | -65.5 | 175.5 | 0 | 0 | 0 | 112.8 | V440 L447 L462 H476 I477 G483 I484 F504 | V440-L480 HydrophobicContact CG1-CD2 3.95Å; V440-L480 HydrophobicContact CG1-CG 4.25Å; L447-L480 HydrophobicContact CD1-CD2 3.79Å; L462-L480 HydrophobicContact CD1-CD2 3.89Å; L462-L480 HydrophobicContact CD2-CD2 4.34Å; H476-L480 PolarHBondContact O-N 2.91Å; I477-L480 PolarHBondContact O-N 3.28Å; L480-G483 PolarHBondContact O-N 3.31Å; L480-G483 VanDerWaalsContact O-N 3.09Å; L480-I484 WeakPolarHBondContact O-CG1 3.44Å; L480-I484 PolarHBondContact O-N 3.04Å; L480-F504 HydrophobicContact CD1-CZ 4.4Å |
| 481 | I | 82.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.3 | -47.7 | -175.3 | -74.4 | 159.5 | 0 | 0 | 0 | 113.5 | I477 G483 I484 V485 H520 M523 L524 | I477-I481 HydrophobicContact CG2-CD1 3.48Å; I477-I481 VanDerWaalsContact CG2-CD1 3.48Å; I477-I481 HydrophobicContact CG2-CG1 4.17Å; I477-I481 WeakPolarHBondContact O-CD1 3.41Å; I477-I481 VanDerWaalsContact O-CG1 3.27Å; I477-I481 WeakPolarHBondContact O-CG1 3.34Å; I477-I481 PolarHBondContact O-N 3.29Å; I477-I481 VanDerWaalsContact O-N 3.16Å; I481-G483 VanDerWaalsContact C-N 3.26Å; I481-G483 PolarHBondContact O-N 2.93Å; I481-I484 PolarHBondContact O-N 3.26Å; I481-V485 HydrophobicContact CG2-CG2 4.28Å; I481-V485 WeakPolarHBondContact O-CG2 3.47Å; I481-V485 PolarHBondContact O-N 3.25Å; I481-H520 HydrophobicContact CD1-CB 3.45Å; I481-H520 VanDerWaalsContact CD1-CB 3.45Å; I481-H520 WeakPolarHBondContact CD1-CD2 3.34Å; I481-M523 HydrophobicContact CG2-CE 4.25Å; I481-L524 HydrophobicContact CB-CD2 4.46Å; I481-L524 HydrophobicContact CD1-CD1 4.14Å; I481-L524 HydrophobicContact CG1-CD1 4.14Å; I481-L524 HydrophobicContact CG1-CD2 4.22Å; I481-L524 HydrophobicContact CG2-CD1 4.48Å; I481-L524 HydrophobicContact CG2-CD2 3.73Å; I481-L524 HydrophobicContact CG2-CG 4.02Å |
| 482 | P | 82.6 | Confident | 78.2 | Confident | 58 Ų | 58 | 49 Ų | 49 | 38% | 0.377 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 176.9 | -26.6 | 35.6 | 0 | 0 | 0 | 113.2 | P478 F486 | P478-P482 WeakPolarHBondContact O-CD 3.45Å; P482-F486 VanDerWaalsContact O-CB 3.24Å; P482-F486 WeakPolarHBondContact O-CB 3.45Å; P482-F486 PolarHBondContact O-N 3.14Å |
| 483 | G | 80 | Confident | 78.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.5 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L480 I481 S487 | L480-G483 PolarHBondContact O-N 3.31Å; L480-G483 VanDerWaalsContact O-N 3.09Å; I481-G483 VanDerWaalsContact C-N 3.26Å; I481-G483 PolarHBondContact O-N 2.93Å; G483-S487 WeakPolarHBondContact O-CB 3.47Å; G483-S487 PolarHBondContact O-N 3.48Å; G483-S487 VanDerWaalsContact O-N 3.15Å; G483-S487 PolarHBondContact O-OG 2.9Å |
| 484 | I | 83.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65 | -51.3 | 173.4 | -62.2 | 168 | 0 | 0 | 0 | 109.8 | F459 L480 I481 F486 S487 L488 F504 F505 L508 | F459-I484 HydrophobicContact CE1-CG1 4.13Å; L480-I484 WeakPolarHBondContact O-CG1 3.44Å; L480-I484 PolarHBondContact O-N 3.04Å; I481-I484 PolarHBondContact O-N 3.26Å; I484-F486 VanDerWaalsContact C-N 3.34Å; I484-F486 PolarHBondContact O-N 3.31Å; I484-S487 PolarHBondContact O-N 3.47Å; I484-L488 HydrophobicContact CG2-CD1 3.81Å; I484-L488 HydrophobicContact CG2-CG 4.38Å; I484-L488 VanDerWaalsContact O-CG 3.28Å; I484-L488 WeakPolarHBondContact O-CG 3.38Å; I484-L488 PolarHBondContact O-N 3.46Å; I484-F504 HydrophobicContact CD1-CD1 4.23Å; I484-F504 HydrophobicContact CD1-CE1 3.86Å; I484-F504 HydrophobicContact CG1-CD1 4.34Å; I484-F504 HydrophobicContact CG1-CE1 4.2Å; I484-F505 HydrophobicContact CD1-CD2 4.05Å; I484-F505 HydrophobicContact CG2-CB 4.42Å; I484-F505 HydrophobicContact CG2-CG 4.45Å; I484-L508 HydrophobicContact CD1-CD2 4.24Å |
| 485 | V | 83.5 | Confident | 78.5 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | -179.1 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | I481 S487 L488 T489 L524 A527 | I481-V485 HydrophobicContact CG2-CG2 4.28Å; I481-V485 WeakPolarHBondContact O-CG2 3.47Å; I481-V485 PolarHBondContact O-N 3.25Å; V485-S487 VanDerWaalsContact C-N 3.32Å; V485-S487 PolarHBondContact O-N 3.44Å; V485-L488 PolarHBondContact O-N 2.97Å; V485-T489 HydrophobicContact CG1-CG2 4.06Å; V485-T489 WeakPolarHBondContact O-CG2 3.46Å; V485-T489 PolarHBondContact O-N 3.33Å; V485-T489 PolarHBondContact O-OG1 2.95Å; V485-L524 HydrophobicContact CG2-CD2 4.01Å; V485-A527 HydrophobicContact CG1-CB 4.26Å |
| 486 | F | 83.7 | Confident | 78.7 | Confident | 82 Ų | 82 | 44 Ų | 44 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -54.3 | -47.7 | 176.8 | 178.5 | -108.8 | 0 | 0 | 0 | 112.2 | P482 I484 L488 T489 D490 | P482-F486 VanDerWaalsContact O-CB 3.24Å; P482-F486 WeakPolarHBondContact O-CB 3.45Å; P482-F486 PolarHBondContact O-N 3.14Å; I484-F486 VanDerWaalsContact C-N 3.34Å; I484-F486 PolarHBondContact O-N 3.31Å; F486-L488 VanDerWaalsContact C-N 3.25Å; F486-L488 PolarHBondContact O-N 3.42Å; F486-T489 PolarHBondContact O-N 3.14Å; F486-D490 WeakPolarHBondContact O-CB 3.34Å; F486-D490 PolarHBondContact O-N 3.16Å |
| 487 | S | 80.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.6 | -22.3 | -180 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | F459 G483 I484 V485 | F459-S487 WeakPolarHBondContact CZ-OG 3.48Å; G483-S487 WeakPolarHBondContact O-CB 3.47Å; G483-S487 PolarHBondContact O-N 3.48Å; G483-S487 VanDerWaalsContact O-N 3.15Å; G483-S487 PolarHBondContact O-OG 2.9Å; I484-S487 PolarHBondContact O-N 3.47Å; V485-S487 VanDerWaalsContact C-N 3.32Å; V485-S487 PolarHBondContact O-N 3.44Å |
| 488 | L | 80.2 | Confident | 79.1 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -88 | -35.6 | 177.5 | -66.6 | 175.9 | 0 | 0 | 0 | 112.8 | I484 V485 F486 A501 L502 | I484-L488 HydrophobicContact CG2-CD1 3.81Å; I484-L488 HydrophobicContact CG2-CG 4.38Å; I484-L488 VanDerWaalsContact O-CG 3.28Å; I484-L488 WeakPolarHBondContact O-CG 3.38Å; I484-L488 PolarHBondContact O-N 3.46Å; V485-L488 PolarHBondContact O-N 2.97Å; F486-L488 VanDerWaalsContact C-N 3.25Å; F486-L488 PolarHBondContact O-N 3.42Å; L488-A501 HydrophobicContact CD2-CB 3.97Å; L488-L502 HydrophobicContact CD1-CD2 4.24Å; L488-L502 HydrophobicContact CD2-CD1 4.49Å; L488-L502 HydrophobicContact CD2-CD2 3.83Å; L488-L502 HydrophobicContact CD2-CG 3.72Å |
| 489 | T | 78.3 | Confident | 79.3 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 48% | 0.479 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -90.1 | -22.5 | -172.5 | 54.8 | 0 | 0 | 0 | 0 | 114.5 | V485 F486 K491 A527 | V485-T489 HydrophobicContact CG1-CG2 4.06Å; V485-T489 WeakPolarHBondContact O-CG2 3.46Å; V485-T489 PolarHBondContact O-N 3.33Å; V485-T489 PolarHBondContact O-OG1 2.95Å; F486-T489 PolarHBondContact O-N 3.14Å; T489-K491 PolarHBondContact O-N 3.39Å; T489-A527 HydrophobicContact CG2-CB 4.01Å |
| 490 | D | 76.1 | Confident | 79.4 | Confident | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | trans | -69.5 | 133.1 | -174.1 | -175.4 | 12.2 | 0 | 0 | 0 | 112.2 | F486 S492 T493 R498 | F486-D490 WeakPolarHBondContact O-CB 3.34Å; F486-D490 PolarHBondContact O-N 3.16Å; D490-S492 VanDerWaalsContact C-N 3.3Å; D490-S492 VanDerWaalsContact CG-OG 3.32Å; D490-S492 PolarHBondContact OD1-N 3.12Å; D490-S492 VanDerWaalsContact OD1-N 3.11Å; D490-S492 PolarHBondContact OD1-OG 2.73Å; D490-S492 PolarHBondContact OD2-OG 3.03Å; D490-T493 WeakPolarHBondContact O-CB 3.5Å; D490-T493 PolarHBondContact O-N 3.17Å; D490-T493 PolarHBondContact O-OG1 3.36Å; D490-R498 PolarHBondContact O-NH2 2.99Å | ||
| 491 | K | 64.6 | Low | 79.7 | Confident | 200 Ų | 200 | 42 Ų | 42 | 87% | 0.87 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.2 | 179.4 | -69.9 | -177.5 | -179 | 176.4 | 0 | 112.3 | T489 T493 | T489-K491 PolarHBondContact O-N 3.39Å; K491-T493 PolarHBondContact O-N 2.67Å |
| 492 | S | 62 | Low | 79.9 | Confident | 81 Ų | 81 | 42 Ų | 42 | 57% | 0.566 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.7 | 179.4 | 82.7 | 0 | 0 | 0 | 0 | 113.9 | D490 | D490-S492 VanDerWaalsContact C-N 3.3Å; D490-S492 VanDerWaalsContact CG-OG 3.32Å; D490-S492 PolarHBondContact OD1-N 3.12Å; D490-S492 VanDerWaalsContact OD1-N 3.11Å; D490-S492 PolarHBondContact OD1-OG 2.73Å; D490-S492 PolarHBondContact OD2-OG 3.03Å |
| 493 | T | 69.9 | Low | 80 | Confident | 12 Ų | 12 | 41 Ų | 41 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | trans | -81.3 | 134.2 | -171.5 | -64.2 | 0 | 0 | 0 | 0 | 113 | D490 K491 M497 R498 | D490-T493 WeakPolarHBondContact O-CB 3.5Å; D490-T493 PolarHBondContact O-N 3.17Å; D490-T493 PolarHBondContact O-OG1 3.36Å; K491-T493 PolarHBondContact O-N 2.67Å; T493-M497 HydrophobicContact CG2-CB 3.77Å; T493-M497 HydrophobicContact CG2-CE 3.15Å; T493-M497 HydrophobicContact CG2-CG 4.02Å; T493-M497 HydrophobicContact CG2-SD 3.95Å; T493-M497 VanDerWaalsContact OG1-CE 3.3Å; T493-M497 WeakPolarHBondContact OG1-CE 3.25Å; T493-R498 HydrophobicContact CG2-CG 3.71Å | ||
| 494 | S | 78.1 | Confident | 80.3 | Confident | 39 Ų | 39 | 41 Ų | 41 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | trans | -66.4 | 151.2 | 173.4 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | T496 M497 R498 | S494-T496 PolarHBondContact O-N 3.19Å; S494-T496 PolarHBondContact OG-OG1 2.99Å; S494-T496 VanDerWaalsContact OG-OG1 3.08Å; S494-M497 PolarHBondContact O-N 3.38Å; S494-M497 PolarHBondContact OG-N 3.26Å; S494-R498 PolarHBondContact O-N 3.46Å | ||
| 495 | S | 82.1 | Confident | 80.4 | Confident | 57 Ų | 57 | 41 Ų | 41 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.2 | -31.2 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | I499 | S495-I499 WeakPolarHBondContact O-CD1 3.49Å; S495-I499 VanDerWaalsContact O-CG1 3.28Å; S495-I499 WeakPolarHBondContact O-CG1 3.25Å; S495-I499 PolarHBondContact O-N 2.85Å |
| 496 | T | 82.5 | Confident | 80.5 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 45% | 0.448 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 112 | Q456 S494 I499 D500 | Q456-T496 PolarHBondContact NE2-OG1 2.94Å; S494-T496 PolarHBondContact O-N 3.19Å; S494-T496 PolarHBondContact OG-OG1 2.99Å; S494-T496 VanDerWaalsContact OG-OG1 3.08Å; T496-I499 WeakPolarHBondContact O-CB 3.41Å; T496-I499 PolarHBondContact O-N 2.88Å; T496-D500 VanDerWaalsContact O-CG 3.3Å; T496-D500 PolarHBondContact O-N 2.61Å |
| 497 | M | 83.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -38.6 | -179.9 | -175.2 | 177.3 | 106.5 | 0 | 0 | 112.4 | L452 R455 Q456 T493 S494 I499 D500 A501 | L452-M497 HydrophobicContact CB-SD 4.47Å; L452-M497 HydrophobicContact CD2-CE 4.11Å; L452-M497 HydrophobicContact CD2-SD 3.48Å; L452-M497 WeakPolarHBondContact CD2-SD 3.3Å; R455-M497 HydrophobicContact CB-SD 3.93Å; Q456-M497 HydrophobicContact CG-CB 4.03Å; Q456-M497 HydrophobicContact CG-CG 4.03Å; T493-M497 HydrophobicContact CG2-CB 3.77Å; T493-M497 HydrophobicContact CG2-CE 3.15Å; T493-M497 HydrophobicContact CG2-CG 4.02Å; T493-M497 HydrophobicContact CG2-SD 3.95Å; T493-M497 VanDerWaalsContact OG1-CE 3.3Å; T493-M497 WeakPolarHBondContact OG1-CE 3.25Å; S494-M497 PolarHBondContact O-N 3.38Å; S494-M497 PolarHBondContact OG-N 3.26Å; M497-I499 VanDerWaalsContact C-N 3.28Å; M497-I499 PolarHBondContact O-N 2.82Å; M497-D500 PolarHBondContact O-N 3.23Å; M497-A501 WeakPolarHBondContact O-CB 3.46Å; M497-A501 PolarHBondContact O-N 3.2Å |
| 498 | R | 82.9 | Confident | 80.7 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -39.2 | 173.7 | -67.3 | -168.5 | -175.5 | 153.8 | 5.6 | 111.6 | D490 T493 S494 L502 D534 I539 | D490-R498 PolarHBondContact O-NH2 2.99Å; T493-R498 HydrophobicContact CG2-CG 3.71Å; S494-R498 PolarHBondContact O-N 3.46Å; R498-L502 WeakPolarHBondContact O-CB 3.12Å; R498-L502 VanDerWaalsContact O-CG 3.23Å; R498-L502 WeakPolarHBondContact O-CG 3.17Å; R498-L502 PolarHBondContact O-N 3.11Å; R498-D534 IonicContact NH1-OD2 2.95Å; R498-D534 PolarHBondContact NH1-OD2 3.06Å; R498-I539 HydrophobicContact CB-CD1 4.12Å; R498-I539 HydrophobicContact CB-CG1 4.16Å |
| 499 | I | 85.8 | Confident | 80.8 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 175.6 | -69.3 | 164.9 | 0 | 0 | 0 | 110.4 | S495 T496 M497 A501 L502 S503 F536 K538 I539 E542 | S495-I499 WeakPolarHBondContact O-CD1 3.49Å; S495-I499 VanDerWaalsContact O-CG1 3.28Å; S495-I499 WeakPolarHBondContact O-CG1 3.25Å; S495-I499 PolarHBondContact O-N 2.85Å; T496-I499 WeakPolarHBondContact O-CB 3.41Å; T496-I499 PolarHBondContact O-N 2.88Å; M497-I499 VanDerWaalsContact C-N 3.28Å; M497-I499 PolarHBondContact O-N 2.82Å; I499-A501 VanDerWaalsContact C-N 3.35Å; I499-A501 PolarHBondContact O-N 3.29Å; I499-L502 PolarHBondContact O-N 3.43Å; I499-S503 WeakPolarHBondContact O-CB 3.25Å; I499-S503 PolarHBondContact O-N 2.98Å; I499-S503 PolarHBondContact O-OG 3.38Å; I499-F536 HydrophobicContact CD1-CE1 4.07Å; I499-K538 HydrophobicContact CD1-CB 3.69Å; I499-K538 HydrophobicContact CD1-CD 4.37Å; I499-K538 HydrophobicContact CG1-CB 4.45Å; I499-I539 HydrophobicContact CD1-CG1 4.41Å; I499-I539 HydrophobicContact CG1-CG1 3.91Å; I499-E542 HydrophobicContact CG2-CG 4.29Å |
| 500 | D | 84.4 | Confident | 81 | Confident | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 179.7 | -64 | -29.3 | 0 | 0 | 0 | 111.2 | Q456 T496 M497 L502 S503 F504 | Q456-D500 PolarHBondContact NE2-OD2 3.3Å; T496-D500 VanDerWaalsContact O-CG 3.3Å; T496-D500 PolarHBondContact O-N 2.61Å; M497-D500 PolarHBondContact O-N 3.23Å; D500-L502 PolarHBondContact O-N 3.36Å; D500-S503 WeakPolarHBondContact CA-OG 3.43Å; D500-S503 PolarHBondContact O-N 2.73Å; D500-S503 PolarHBondContact O-OG 3.33Å; D500-F504 WeakPolarHBondContact O-CB 3.47Å; D500-F504 PolarHBondContact O-N 3.05Å |
| 501 | A | 86.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F459 L488 M497 I499 F505 | F459-A501 HydrophobicContact CD2-CB 4.15Å; F459-A501 HydrophobicContact CE1-CB 4.26Å; F459-A501 HydrophobicContact CE2-CB 3.75Å; F459-A501 HydrophobicContact CZ-CB 3.81Å; L488-A501 HydrophobicContact CD2-CB 3.97Å; M497-A501 WeakPolarHBondContact O-CB 3.46Å; M497-A501 PolarHBondContact O-N 3.2Å; I499-A501 VanDerWaalsContact C-N 3.35Å; I499-A501 PolarHBondContact O-N 3.29Å; A501-F505 VanDerWaalsContact O-CB 3.32Å; A501-F505 WeakPolarHBondContact O-CB 3.19Å; A501-F505 PolarHBondContact O-N 3.49Å |
| 502 | L | 86.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 175.6 | -72.5 | 169.1 | 0 | 0 | 0 | 111.9 | L488 R498 I499 D500 F505 H506 C531 I539 E542 A543 V546 | L488-L502 HydrophobicContact CD1-CD2 4.24Å; L488-L502 HydrophobicContact CD2-CD1 4.49Å; L488-L502 HydrophobicContact CD2-CD2 3.83Å; L488-L502 HydrophobicContact CD2-CG 3.72Å; R498-L502 WeakPolarHBondContact O-CB 3.12Å; R498-L502 VanDerWaalsContact O-CG 3.23Å; R498-L502 WeakPolarHBondContact O-CG 3.17Å; R498-L502 PolarHBondContact O-N 3.11Å; I499-L502 PolarHBondContact O-N 3.43Å; D500-L502 PolarHBondContact O-N 3.36Å; L502-F505 PolarHBondContact O-N 2.91Å; L502-H506 WeakPolarHBondContact O-CB 3.29Å; L502-H506 PolarHBondContact O-N 3.48Å; L502-C531 HydrophobicContact CD1-CB 4.37Å; L502-I539 HydrophobicContact CD1-CG2 4.06Å; L502-E542 HydrophobicContact CB-CB 3.94Å; L502-E542 HydrophobicContact CD1-CB 4.07Å; L502-A543 HydrophobicContact CD1-CB 3.94Å; L502-A543 HydrophobicContact CD2-CB 4.35Å; L502-V546 HydrophobicContact CB-CG2 4.27Å; L502-V546 HydrophobicContact CD2-CG2 4.07Å; L502-V546 VanDerWaalsContact O-CG2 3.26Å; L502-V546 WeakPolarHBondContact O-CG2 3.43Å |
| 503 | S | 86 | Confident | 82.5 | Confident | 37 Ų | 37 | 28.1 Ų | 28.1 | 26% | 0.259 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 178.2 | 76.5 | 0 | 0 | 0 | 0 | 111.5 | I499 D500 F505 H506 V507 | I499-S503 WeakPolarHBondContact O-CB 3.25Å; I499-S503 PolarHBondContact O-N 2.98Å; I499-S503 PolarHBondContact O-OG 3.38Å; D500-S503 WeakPolarHBondContact CA-OG 3.43Å; D500-S503 PolarHBondContact O-N 2.73Å; D500-S503 PolarHBondContact O-OG 3.33Å; S503-F505 PolarHBondContact O-N 3.04Å; S503-H506 WeakPolarHBondContact O-CB 3.36Å; S503-H506 PolarHBondContact O-N 2.93Å; S503-V507 WeakPolarHBondContact O-CG2 3.45Å; S503-V507 PolarHBondContact O-N 3.36Å |
| 504 | F | 86.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 172.7 | 168.2 | -117.2 | 0 | 0 | 0 | 110.8 | F459 L462 T463 L480 I484 D500 H506 V507 L508 | F459-F504 HydrophobicContact CB-CB 4.25Å; F459-F504 HydrophobicContact CD1-CB 4.07Å; F459-F504 AromaticContact CD1-CD1 3.51Å; F459-F504 HydrophobicContact CD1-CD1 3.51Å; F459-F504 HydrophobicContact CD1-CE1 4.26Å; F459-F504 AromaticContact CD1-CG 3.97Å; F459-F504 HydrophobicContact CD1-CG 3.97Å; F459-F504 AromaticContact CE1-CD1 3.94Å; F459-F504 HydrophobicContact CE1-CD1 3.94Å; F459-F504 HydrophobicContact CE1-CE1 4.5Å; L462-F504 HydrophobicContact CB-CD2 3.79Å; L462-F504 HydrophobicContact CB-CE1 4.27Å; L462-F504 HydrophobicContact CB-CE2 3.25Å; L462-F504 HydrophobicContact CB-CZ 3.51Å; L462-F504 HydrophobicContact CD1-CE1 3.98Å; L462-F504 HydrophobicContact CD1-CE2 4.42Å; L462-F504 HydrophobicContact CD1-CZ 3.83Å; L462-F504 HydrophobicContact CG-CE2 4.4Å; L462-F504 HydrophobicContact CG-CZ 4.21Å; T463-F504 WeakPolarHBondContact OG1-CB 3.35Å; T463-F504 WeakPolarHBondContact OG1-CD2 3.45Å; L480-F504 HydrophobicContact CD1-CZ 4.4Å; I484-F504 HydrophobicContact CD1-CD1 4.23Å; I484-F504 HydrophobicContact CD1-CE1 3.86Å; I484-F504 HydrophobicContact CG1-CD1 4.34Å; I484-F504 HydrophobicContact CG1-CE1 4.2Å; D500-F504 WeakPolarHBondContact O-CB 3.47Å; D500-F504 PolarHBondContact O-N 3.05Å; F504-H506 VanDerWaalsContact C-N 3.28Å; F504-H506 PolarHBondContact O-N 2.84Å; F504-V507 PolarHBondContact O-N 3.4Å; F504-V507 VanDerWaalsContact O-N 3.14Å; F504-L508 HydrophobicContact CE1-CD2 4.37Å; F504-L508 HydrophobicContact CE2-CB 4.48Å; F504-L508 HydrophobicContact CE2-CD1 4.36Å; F504-L508 HydrophobicContact CZ-CB 4.48Å; F504-L508 HydrophobicContact CZ-CD1 4.1Å; F504-L508 HydrophobicContact CZ-CD2 4.24Å; F504-L508 WeakPolarHBondContact O-CB 3.37Å; F504-L508 PolarHBondContact O-N 3.11Å |
| 505 | F | 85.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | -179.8 | -174.2 | -132.2 | 0 | 0 | 0 | 111.9 | I484 A501 L502 S503 L508 L509 L524 V528 V546 L550 | I484-F505 HydrophobicContact CD1-CD2 4.05Å; I484-F505 HydrophobicContact CG2-CB 4.42Å; I484-F505 HydrophobicContact CG2-CG 4.45Å; A501-F505 VanDerWaalsContact O-CB 3.32Å; A501-F505 WeakPolarHBondContact O-CB 3.19Å; A501-F505 PolarHBondContact O-N 3.49Å; L502-F505 PolarHBondContact O-N 2.91Å; S503-F505 PolarHBondContact O-N 3.04Å; F505-L508 HydrophobicContact CD2-CD2 4.28Å; F505-L508 WeakPolarHBondContact O-CB 3.41Å; F505-L508 PolarHBondContact O-N 3.09Å; F505-L509 HydrophobicContact CD1-CD1 4.17Å; F505-L509 HydrophobicContact CD2-CD1 4.49Å; F505-L509 HydrophobicContact CD2-CG 4.29Å; F505-L509 HydrophobicContact CE1-CD1 3.84Å; F505-L509 HydrophobicContact CE2-CD1 4.19Å; F505-L509 HydrophobicContact CE2-CD2 3.98Å; F505-L509 HydrophobicContact CE2-CG 4Å; F505-L509 HydrophobicContact CG-CD1 4.46Å; F505-L509 HydrophobicContact CZ-CD1 3.84Å; F505-L509 HydrophobicContact CZ-CD2 4.05Å; F505-L509 HydrophobicContact CZ-CG 4.12Å; F505-L509 VanDerWaalsContact O-CG 3.24Å; F505-L509 WeakPolarHBondContact O-CG 3.45Å; F505-L509 PolarHBondContact O-N 3.24Å; F505-L524 HydrophobicContact CE2-CD1 4.14Å; F505-L524 HydrophobicContact CE2-CD2 4.21Å; F505-L524 HydrophobicContact CZ-CB 4.4Å; F505-L524 HydrophobicContact CZ-CD1 3.92Å; F505-L524 HydrophobicContact CZ-CD2 4.03Å; F505-L524 HydrophobicContact CZ-CG 4.35Å; F505-V528 HydrophobicContact CD1-CG2 4.36Å; F505-V528 HydrophobicContact CE1-CG2 3.98Å; F505-V546 HydrophobicContact CD1-CB 4.34Å; F505-V546 HydrophobicContact CD1-CG1 3.25Å; F505-V546 HydrophobicContact CD1-CG2 4.12Å; F505-V546 HydrophobicContact CE1-CG1 3.33Å; F505-V546 HydrophobicContact CG-CG1 4.44Å; F505-L550 HydrophobicContact CE1-CD1 4.23Å; F505-L550 HydrophobicContact CE1-CD2 4.18Å; F505-L550 HydrophobicContact CE1-CG 4.42Å; F505-L550 HydrophobicContact CZ-CD2 3.93Å |
| 506 | H | 85.7 | Confident | 82.1 | Confident | 36 Ų | 36 | 30 Ų | 30 | 17% | 0.167 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 172.3 | 176.1 | 49.4 | 0 | 0 | 0 | 112.4 | L502 S503 F504 L508 L509 I510 L545 V546 | L502-H506 WeakPolarHBondContact O-CB 3.29Å; L502-H506 PolarHBondContact O-N 3.48Å; S503-H506 WeakPolarHBondContact O-CB 3.36Å; S503-H506 PolarHBondContact O-N 2.93Å; F504-H506 VanDerWaalsContact C-N 3.28Å; F504-H506 PolarHBondContact O-N 2.84Å; H506-L508 VanDerWaalsContact C-N 3.32Å; H506-L508 PolarHBondContact O-N 2.95Å; H506-L509 PolarHBondContact O-N 3.02Å; H506-I510 WeakPolarHBondContact CE1-CD1 3.25Å; H506-I510 WeakPolarHBondContact NE2-CD1 3.28Å; H506-I510 PolarHBondContact O-N 3.25Å; H506-I510 VanDerWaalsContact O-N 3.15Å; H506-L545 WeakPolarHBondContact CE1-CD2 3.43Å; H506-L545 WeakPolarHBondContact ND1-CD2 3.45Å; H506-L545 WeakPolarHBondContact NE2-CD2 3.43Å; H506-V546 HydrophobicContact CB-CG2 3.96Å |
| 507 | V | 84.8 | Confident | 81.8 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | T463 A466 Y467 S503 F504 L509 I510 S511 | T463-V507 HydrophobicContact CG2-CB 4.49Å; T463-V507 HydrophobicContact CG2-CG1 4.46Å; T463-V507 HydrophobicContact CG2-CG2 4.16Å; A466-V507 HydrophobicContact CB-CG1 3.82Å; Y467-V507 HydrophobicContact CD1-CG1 4.16Å; Y467-V507 HydrophobicContact CE1-CG1 3.9Å; Y467-V507 HydrophobicContact CE1-CG2 4.11Å; Y467-V507 HydrophobicContact CE2-CG1 4.32Å; Y467-V507 HydrophobicContact CE2-CG2 4.12Å; Y467-V507 HydrophobicContact CG-CG1 4.48Å; Y467-V507 WeakPolarHBondContact OH-CG2 3.35Å; S503-V507 WeakPolarHBondContact O-CG2 3.45Å; S503-V507 PolarHBondContact O-N 3.36Å; F504-V507 PolarHBondContact O-N 3.4Å; F504-V507 VanDerWaalsContact O-N 3.14Å; V507-L509 VanDerWaalsContact C-N 3.3Å; V507-L509 PolarHBondContact O-N 2.64Å; V507-I510 PolarHBondContact O-N 3.08Å; V507-S511 WeakPolarHBondContact O-CB 3.38Å; V507-S511 PolarHBondContact O-N 3.3Å; V507-S511 PolarHBondContact O-OG 3.02Å |
| 508 | L | 83.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 176.7 | -168.3 | 70.1 | 0 | 0 | 0 | 111.3 | L473 I484 F504 F505 H506 S511 H512 F517 | L473-L508 HydrophobicContact CB-CD1 4.2Å; L473-L508 HydrophobicContact CD1-CD1 3.79Å; I484-L508 HydrophobicContact CD1-CD2 4.24Å; F504-L508 HydrophobicContact CE1-CD2 4.37Å; F504-L508 HydrophobicContact CE2-CB 4.48Å; F504-L508 HydrophobicContact CE2-CD1 4.36Å; F504-L508 HydrophobicContact CZ-CB 4.48Å; F504-L508 HydrophobicContact CZ-CD1 4.1Å; F504-L508 HydrophobicContact CZ-CD2 4.24Å; F504-L508 WeakPolarHBondContact O-CB 3.37Å; F504-L508 PolarHBondContact O-N 3.11Å; F505-L508 HydrophobicContact CD2-CD2 4.28Å; F505-L508 WeakPolarHBondContact O-CB 3.41Å; F505-L508 PolarHBondContact O-N 3.09Å; H506-L508 VanDerWaalsContact C-N 3.32Å; H506-L508 PolarHBondContact O-N 2.95Å; L508-S511 PolarHBondContact O-N 2.63Å; L508-S511 PolarHBondContact O-OG 3.3Å; L508-H512 PolarHBondContact O-N 2.81Å; L508-H512 PolarHBondContact O-ND1 3.2Å; L508-F517 HydrophobicContact CD2-CE1 3.86Å; L508-F517 HydrophobicContact CD2-CZ 4.3Å; L508-F517 HydrophobicContact CG-CE1 3.98Å; L508-F517 HydrophobicContact CG-CZ 3.89Å |
| 509 | L | 81.9 | Confident | 81.4 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.3 | -19.7 | 178.6 | -65.5 | 171.3 | 0 | 0 | 0 | 114.5 | F505 H506 V507 F517 V546 Q549 L550 V553 | F505-L509 HydrophobicContact CD1-CD1 4.17Å; F505-L509 HydrophobicContact CD2-CD1 4.49Å; F505-L509 HydrophobicContact CD2-CG 4.29Å; F505-L509 HydrophobicContact CE1-CD1 3.84Å; F505-L509 HydrophobicContact CE2-CD1 4.19Å; F505-L509 HydrophobicContact CE2-CD2 3.98Å; F505-L509 HydrophobicContact CE2-CG 4Å; F505-L509 HydrophobicContact CG-CD1 4.46Å; F505-L509 HydrophobicContact CZ-CD1 3.84Å; F505-L509 HydrophobicContact CZ-CD2 4.05Å; F505-L509 HydrophobicContact CZ-CG 4.12Å; F505-L509 VanDerWaalsContact O-CG 3.24Å; F505-L509 WeakPolarHBondContact O-CG 3.45Å; F505-L509 PolarHBondContact O-N 3.24Å; H506-L509 PolarHBondContact O-N 3.02Å; V507-L509 VanDerWaalsContact C-N 3.3Å; V507-L509 PolarHBondContact O-N 2.64Å; L509-F517 HydrophobicContact CD2-CB 4.48Å; L509-F517 HydrophobicContact CD2-CD1 3.85Å; L509-F517 HydrophobicContact CD2-CD2 3.89Å; L509-F517 HydrophobicContact CD2-CE1 3.97Å; L509-F517 HydrophobicContact CD2-CE2 4Å; L509-F517 HydrophobicContact CD2-CG 3.81Å; L509-F517 HydrophobicContact CD2-CZ 4.05Å; L509-V546 HydrophobicContact CD1-CG1 4.14Å; L509-Q549 HydrophobicContact CB-CB 4.27Å; L509-Q549 HydrophobicContact CB-CG 3.45Å; L509-Q549 VanDerWaalsContact CB-CG 3.45Å; L509-Q549 HydrophobicContact CD1-CB 4.17Å; L509-Q549 HydrophobicContact CD1-CG 4.22Å; L509-Q549 HydrophobicContact CG-CG 4.47Å; L509-Q549 PolarHBondContact O-NE2 2.98Å; L509-L550 HydrophobicContact CD1-CD2 3.77Å; L509-L550 HydrophobicContact CD1-CG 3.93Å; L509-L550 HydrophobicContact CD2-CD2 3.97Å; L509-V553 HydrophobicContact CD2-CG2 4.24Å |
| 510 | I | 82.7 | Confident | 81 | Confident | 88 Ų | 88 | 30.1 Ų | 30.1 | 45% | 0.451 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -83.1 | -38.1 | 172.5 | -69 | 169.3 | 0 | 0 | 0 | 110.9 | H506 V507 | H506-I510 WeakPolarHBondContact CE1-CD1 3.25Å; H506-I510 WeakPolarHBondContact NE2-CD1 3.28Å; H506-I510 PolarHBondContact O-N 3.25Å; H506-I510 VanDerWaalsContact O-N 3.15Å; V507-I510 PolarHBondContact O-N 3.08Å |
| 511 | S | 77.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 28.3 Ų | 28.3 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -82.5 | -15.6 | -168.8 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | G471 V507 L508 | G471-S511 PolarHBondContact N-O 2.79Å; V507-S511 WeakPolarHBondContact O-CB 3.38Å; V507-S511 PolarHBondContact O-N 3.3Å; V507-S511 PolarHBondContact O-OG 3.02Å; L508-S511 PolarHBondContact O-N 2.63Å; L508-S511 PolarHBondContact O-OG 3.3Å |
| 512 | H | 79.3 | Confident | 80.2 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -122.1 | 156.8 | -173 | -61.5 | 79.1 | 0 | 0 | 0 | 112.8 | L473 I477 L508 F517 | L473-H512 WeakPolarHBondContact CB-NE2 3.16Å; L473-H512 PolarHBondContact N-NE2 3.26Å; I477-H512 HydrophobicContact CD1-CB 4.36Å; L508-H512 PolarHBondContact O-N 2.81Å; L508-H512 PolarHBondContact O-ND1 3.2Å; H512-F517 HydrophobicContact CB-CE2 3.77Å; H512-F517 HydrophobicContact CB-CZ 3.98Å |
| 513 | H | 76.3 | Confident | 79.9 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 38% | 0.375 | 22% | 0.215 | S | C | . | . | trans | -64.4 | 135.8 | 177.6 | -163.2 | -32.2 | 0 | 0 | 0 | 110.2 | Q515 A516 | H513-Q515 PolarHBondContact O-N 3.04Å; H513-A516 PolarHBondContact O-N 3.26Å | ||
| 514 | P | 72.9 | Confident | 79.7 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -54.6 | -22.1 | 178.8 | 14.2 | -32.2 | 0 | 0 | 0 | 116.6 | A516 F517 V553 P556 | P514-A516 VanDerWaalsContact C-N 3.3Å; P514-A516 PolarHBondContact O-N 3.32Å; P514-F517 PolarHBondContact O-N 2.99Å; P514-V553 HydrophobicContact CB-CB 4.08Å; P514-V553 HydrophobicContact CB-CG1 3.7Å; P514-V553 HydrophobicContact CB-CG2 4.09Å; P514-V553 WeakPolarHBondContact O-CG1 3.33Å; P514-P556 HydrophobicContact CG-CB 4.08Å; P514-P556 HydrophobicContact CG-CG 4.34Å |
| 515 | Q | 74.7 | Confident | 79.5 | Confident | 97 Ų | 97 | 39.3 Ų | 39.3 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -64.6 | -32.8 | -177.1 | -68.8 | 176.4 | -3.5 | 0 | 0 | 112.7 | H513 F517 | H513-Q515 PolarHBondContact O-N 3.04Å; Q515-F517 VanDerWaalsContact C-N 3.26Å; Q515-F517 PolarHBondContact O-N 2.67Å |
| 516 | A | 74.5 | Confident | 79.4 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 17% | 0.165 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -67.2 | -24 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E474 I477 H513 P514 | E474-A516 HydrophobicContact CG-CB 4.02Å; I477-A516 HydrophobicContact CD1-CB 3.59Å; H513-A516 PolarHBondContact O-N 3.26Å; P514-A516 VanDerWaalsContact C-N 3.3Å; P514-A516 PolarHBondContact O-N 3.32Å |
| 517 | F | 76.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -20.3 | -177 | -57.5 | -79.1 | 0 | 0 | 0 | 114.1 | I477 L508 L509 H512 P514 Q515 P519 H520 M521 V553 | I477-F517 HydrophobicContact CD1-CD1 4.39Å; I477-F517 HydrophobicContact CD1-CE1 3.69Å; I477-F517 HydrophobicContact CD1-CE2 4.12Å; I477-F517 HydrophobicContact CD1-CZ 3.53Å; I477-F517 HydrophobicContact CG1-CE1 4.02Å; I477-F517 HydrophobicContact CG1-CZ 4.24Å; I477-F517 HydrophobicContact CG2-CD1 3.96Å; I477-F517 HydrophobicContact CG2-CE1 3.89Å; L508-F517 HydrophobicContact CD2-CE1 3.86Å; L508-F517 HydrophobicContact CD2-CZ 4.3Å; L508-F517 HydrophobicContact CG-CE1 3.98Å; L508-F517 HydrophobicContact CG-CZ 3.89Å; L509-F517 HydrophobicContact CD2-CB 4.48Å; L509-F517 HydrophobicContact CD2-CD1 3.85Å; L509-F517 HydrophobicContact CD2-CD2 3.89Å; L509-F517 HydrophobicContact CD2-CE1 3.97Å; L509-F517 HydrophobicContact CD2-CE2 4Å; L509-F517 HydrophobicContact CD2-CG 3.81Å; L509-F517 HydrophobicContact CD2-CZ 4.05Å; H512-F517 HydrophobicContact CB-CE2 3.77Å; H512-F517 HydrophobicContact CB-CZ 3.98Å; P514-F517 PolarHBondContact O-N 2.99Å; Q515-F517 VanDerWaalsContact C-N 3.26Å; Q515-F517 PolarHBondContact O-N 2.67Å; F517-P519 VanDerWaalsContact C-CD 3.42Å; F517-H520 PolarHBondContact O-N 3.42Å; F517-M521 HydrophobicContact CB-CE 3.84Å; F517-M521 WeakPolarHBondContact O-CG 3.35Å; F517-M521 PolarHBondContact O-N 2.95Å; F517-V553 HydrophobicContact CB-CG1 4.02Å |
| 518 | Q | 77.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -50.7 | -43.2 | 178.9 | -71.6 | 179.3 | -11.5 | 0 | 0 | 114.5 | H520 F566 | Q518-H520 VanDerWaalsContact C-N 3.25Å; Q518-H520 PolarHBondContact O-N 2.97Å; Q518-F566 HydrophobicContact CB-CD2 4.3Å; Q518-F566 HydrophobicContact CB-CG 4.46Å; Q518-F566 WeakPolarHBondContact O-CE2 3.35Å |
| 519 | P | 79.8 | Confident | 79.5 | Confident | 96 Ų | 96 | 41.3 Ų | 41.3 | 62% | 0.623 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -68.7 | -21.8 | 179.7 | 25.5 | -34.1 | 0 | 0 | 0 | 113.9 | F517 | F517-P519 VanDerWaalsContact C-CD 3.42Š|
| 520 | H | 78.4 | Confident | 79.7 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 17% | 0.171 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -101 | 2.1 | -174 | -60.2 | -68.4 | 0 | 0 | 0 | 114.3 | I481 F517 Q518 Q522 M523 L524 | I481-H520 HydrophobicContact CD1-CB 3.45Å; I481-H520 VanDerWaalsContact CD1-CB 3.45Å; I481-H520 WeakPolarHBondContact CD1-CD2 3.34Å; F517-H520 PolarHBondContact O-N 3.42Å; Q518-H520 VanDerWaalsContact C-N 3.25Å; Q518-H520 PolarHBondContact O-N 2.97Å; H520-Q522 PolarHBondContact O-N 3.19Å; H520-M523 PolarHBondContact O-N 3.46Å; H520-M523 VanDerWaalsContact O-N 3.13Å; H520-L524 HydrophobicContact CB-CD1 3.96Å; H520-L524 PolarHBondContact O-N 3.38Å; H520-L524 VanDerWaalsContact O-N 3.15Å |
| 521 | M | 74.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -32.8 | -177 | -73.9 | -63.6 | 171.6 | 0 | 0 | 113.9 | F517 M523 L525 L550 V553 F566 | F517-M521 HydrophobicContact CB-CE 3.84Å; F517-M521 WeakPolarHBondContact O-CG 3.35Å; F517-M521 PolarHBondContact O-N 2.95Å; M521-M523 VanDerWaalsContact C-N 3.25Å; M521-M523 PolarHBondContact O-N 3.01Å; M521-L525 VanDerWaalsContact O-CB 3.24Å; M521-L525 WeakPolarHBondContact O-CB 3.44Å; M521-L525 PolarHBondContact O-N 3.34Å; M521-L525 VanDerWaalsContact O-N 3.09Å; M521-L550 HydrophobicContact CE-CD2 3.81Å; M521-L550 HydrophobicContact SD-CD2 3.92Å; M521-V553 HydrophobicContact CE-CB 3.84Å; M521-V553 HydrophobicContact CE-CG1 3.24Å; M521-F566 HydrophobicContact CB-CE2 3.99Å; M521-F566 HydrophobicContact CB-CZ 3.87Å; M521-F566 HydrophobicContact CG-CE2 4.14Å; M521-F566 HydrophobicContact CG-CZ 3.9Å |
| 522 | Q | 78.3 | Confident | 80.1 | Confident | 155 Ų | 155 | 40.7 Ų | 40.7 | 72% | 0.724 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.1 | -30.3 | -180 | -171.9 | 172.9 | -2.5 | 0 | 0 | 112.8 | H520 P526 F571 | H520-Q522 PolarHBondContact O-N 3.19Å; Q522-P526 VanDerWaalsContact O-CD 3.26Å; Q522-P526 WeakPolarHBondContact O-CD 3.41Å; Q522-P526 WeakPolarHBondContact O-CG 3.45Å; Q522-F571 HydrophobicContact CB-CZ 4.34Å |
| 523 | M | 80.3 | Confident | 80.4 | Confident | 107 Ų | 107 | 44.7 Ų | 44.7 | 53% | 0.527 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -91.6 | -39 | 178.6 | -63.2 | -163.2 | -64.6 | 0 | 0 | 112.6 | I481 H520 M521 | I481-M523 HydrophobicContact CG2-CE 4.25Å; H520-M523 PolarHBondContact O-N 3.46Å; H520-M523 VanDerWaalsContact O-N 3.13Å; M521-M523 VanDerWaalsContact C-N 3.25Å; M521-M523 PolarHBondContact O-N 3.01Å |
| 524 | L | 81.3 | Confident | 80.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.3 | -41.5 | -175 | -71.3 | 168.3 | 0 | 0 | 0 | 112.7 | I481 V485 F505 H520 A527 V528 | I481-L524 HydrophobicContact CB-CD2 4.46Å; I481-L524 HydrophobicContact CD1-CD1 4.14Å; I481-L524 HydrophobicContact CG1-CD1 4.14Å; I481-L524 HydrophobicContact CG1-CD2 4.22Å; I481-L524 HydrophobicContact CG2-CD1 4.48Å; I481-L524 HydrophobicContact CG2-CD2 3.73Å; I481-L524 HydrophobicContact CG2-CG 4.02Å; V485-L524 HydrophobicContact CG2-CD2 4.01Å; F505-L524 HydrophobicContact CE2-CD1 4.14Å; F505-L524 HydrophobicContact CE2-CD2 4.21Å; F505-L524 HydrophobicContact CZ-CB 4.4Å; F505-L524 HydrophobicContact CZ-CD1 3.92Å; F505-L524 HydrophobicContact CZ-CD2 4.03Å; F505-L524 HydrophobicContact CZ-CG 4.35Å; H520-L524 HydrophobicContact CB-CD1 3.96Å; H520-L524 PolarHBondContact O-N 3.38Å; H520-L524 VanDerWaalsContact O-N 3.15Å; L524-A527 PolarHBondContact O-N 3.14Å; L524-V528 WeakPolarHBondContact O-CG2 3.27Å; L524-V528 PolarHBondContact O-N 2.86Å |
| 525 | L | 82.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | -171.9 | -168.6 | 72.8 | 0 | 0 | 0 | 113.2 | M521 A527 V528 L529 L550 F571 V575 | M521-L525 VanDerWaalsContact O-CB 3.24Å; M521-L525 WeakPolarHBondContact O-CB 3.44Å; M521-L525 PolarHBondContact O-N 3.34Å; M521-L525 VanDerWaalsContact O-N 3.09Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-A527 PolarHBondContact O-N 3.19Å; L525-V528 PolarHBondContact O-N 3.14Å; L525-L529 HydrophobicContact CD2-CD1 4.41Å; L525-L529 HydrophobicContact CG-CD1 4.01Å; L525-L529 HydrophobicContact CG-CG 4.29Å; L525-L529 WeakPolarHBondContact O-CB 3.49Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 3.42Å; L525-L550 HydrophobicContact CD1-CD1 4.1Å; L525-F571 HydrophobicContact CD2-CB 3.61Å; L525-F571 HydrophobicContact CD2-CD1 3.42Å; L525-F571 VanDerWaalsContact CD2-CD1 3.42Å; L525-F571 HydrophobicContact CD2-CE1 4.39Å; L525-F571 HydrophobicContact CD2-CG 3.82Å; L525-V575 HydrophobicContact CD1-CG2 3.74Å; L525-V575 HydrophobicContact CD2-CG2 3.88Å; L525-V575 HydrophobicContact CG-CG2 4.2Å |
| 526 | P | 85.2 | Confident | 81.9 | Confident | 65 Ų | 65 | 46.3 Ų | 46.3 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 176.9 | -24.8 | 35.7 | 0 | 0 | 0 | 113.2 | Q522 V528 L529 T530 | Q522-P526 VanDerWaalsContact O-CD 3.26Å; Q522-P526 WeakPolarHBondContact O-CD 3.41Å; Q522-P526 WeakPolarHBondContact O-CG 3.45Å; P526-V528 PolarHBondContact O-N 3.43Å; P526-L529 PolarHBondContact O-N 3.46Å; P526-T530 PolarHBondContact O-N 3.09Å; P526-T530 PolarHBondContact O-OG1 3.24Å |
| 527 | A | 85.1 | Confident | 82.4 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V485 T489 L524 L525 C531 | V485-A527 HydrophobicContact CG1-CB 4.26Å; T489-A527 HydrophobicContact CG2-CB 4.01Å; L524-A527 PolarHBondContact O-N 3.14Å; L525-A527 VanDerWaalsContact C-N 3.33Å; L525-A527 PolarHBondContact O-N 3.19Å; A527-C531 PolarHBondContact O-N 3.45Å; A527-C531 PolarHBondContact O-SG 2.94Å |
| 528 | V | 85.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | F505 L524 L525 P526 T530 C531 V532 A543 V546 T547 L550 | F505-V528 HydrophobicContact CD1-CG2 4.36Å; F505-V528 HydrophobicContact CE1-CG2 3.98Å; L524-V528 WeakPolarHBondContact O-CG2 3.27Å; L524-V528 PolarHBondContact O-N 2.86Å; L525-V528 PolarHBondContact O-N 3.14Å; P526-V528 PolarHBondContact O-N 3.43Å; V528-T530 VanDerWaalsContact C-N 3.33Å; V528-T530 PolarHBondContact O-N 2.61Å; V528-C531 WeakPolarHBondContact O-CA 3.47Å; V528-C531 WeakPolarHBondContact O-CB 3.32Å; V528-C531 PolarHBondContact O-N 3.32Å; V528-V532 WeakPolarHBondContact O-CG2 3.46Å; V528-V532 PolarHBondContact O-N 3.24Å; V528-A543 HydrophobicContact CG1-CB 4.44Å; V528-V546 HydrophobicContact CG1-CB 4.34Å; V528-V546 HydrophobicContact CG1-CG1 3.88Å; V528-V546 HydrophobicContact CG2-CG1 3.92Å; V528-T547 WeakPolarHBondContact CG1-OG1 3.37Å; V528-L550 HydrophobicContact CG1-CD1 4.48Å; V528-L550 HydrophobicContact CG2-CD1 4.27Å |
| 529 | L | 85 | Confident | 83.4 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 179.1 | -70.2 | 177.6 | 0 | 0 | 0 | 112.4 | L525 P526 C531 V532 E533 K574 V575 V578 | L525-L529 HydrophobicContact CD2-CD1 4.41Å; L525-L529 HydrophobicContact CG-CD1 4.01Å; L525-L529 HydrophobicContact CG-CG 4.29Å; L525-L529 WeakPolarHBondContact O-CB 3.49Å; L525-L529 VanDerWaalsContact O-CG 3.26Å; L525-L529 WeakPolarHBondContact O-CG 3.46Å; L525-L529 PolarHBondContact O-N 3.42Å; P526-L529 PolarHBondContact O-N 3.46Å; L529-C531 VanDerWaalsContact C-N 3.29Å; L529-C531 PolarHBondContact O-N 3.26Å; L529-V532 PolarHBondContact O-N 3.18Å; L529-V532 VanDerWaalsContact O-N 3.16Å; L529-E533 PolarHBondContact O-N 2.72Å; L529-K574 HydrophobicContact CD1-CB 3.95Å; L529-V575 HydrophobicContact CD1-CG2 4.47Å; L529-V575 HydrophobicContact CD2-CG2 4.26Å; L529-V578 HydrophobicContact CD2-CB 4.12Å; L529-V578 HydrophobicContact CD2-CG1 4.28Å; L529-V578 HydrophobicContact CD2-CG2 4.22Å |
| 530 | T | 85.4 | Confident | 83.7 | Confident | 98 Ų | 98 | 48.5 Ų | 48.5 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.2 | -38.7 | 171.6 | -56 | 0 | 0 | 0 | 0 | 111.6 | P526 V528 V532 E533 D534 | P526-T530 PolarHBondContact O-N 3.09Å; P526-T530 PolarHBondContact O-OG1 3.24Å; V528-T530 VanDerWaalsContact C-N 3.33Å; V528-T530 PolarHBondContact O-N 2.61Å; T530-V532 VanDerWaalsContact C-N 3.31Å; T530-V532 PolarHBondContact O-N 3.36Å; T530-E533 PolarHBondContact O-N 3.15Å; T530-E533 VanDerWaalsContact O-N 3.16Å; T530-D534 PolarHBondContact O-N 3.03Å |
| 531 | C | 83.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.2 | -29.7 | 175.3 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | L502 A527 V528 L529 E533 D534 I539 A543 | L502-C531 HydrophobicContact CD1-CB 4.37Å; A527-C531 PolarHBondContact O-N 3.45Å; A527-C531 PolarHBondContact O-SG 2.94Å; V528-C531 WeakPolarHBondContact O-CA 3.47Å; V528-C531 WeakPolarHBondContact O-CB 3.32Å; V528-C531 PolarHBondContact O-N 3.32Å; L529-C531 VanDerWaalsContact C-N 3.29Å; L529-C531 PolarHBondContact O-N 3.26Å; C531-E533 VanDerWaalsContact C-N 3.3Å; C531-D534 VanDerWaalsContact O-CB 3.27Å; C531-D534 WeakPolarHBondContact O-CB 3.35Å; C531-D534 PolarHBondContact O-N 2.95Å; C531-I539 HydrophobicContact CB-CG2 3.97Å; C531-A543 HydrophobicContact CB-CB 3.78Å |
| 532 | V | 84.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -27.9 | 173.4 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | V528 L529 T530 D534 T540 A543 L544 V578 R582 | V528-V532 WeakPolarHBondContact O-CG2 3.46Å; V528-V532 PolarHBondContact O-N 3.24Å; L529-V532 PolarHBondContact O-N 3.18Å; L529-V532 VanDerWaalsContact O-N 3.16Å; T530-V532 VanDerWaalsContact C-N 3.31Å; T530-V532 PolarHBondContact O-N 3.36Å; V532-D534 VanDerWaalsContact C-N 3.29Å; V532-T540 HydrophobicContact CG1-CG2 4.38Å; V532-T540 WeakPolarHBondContact O-CG2 3.31Å; V532-A543 HydrophobicContact CB-CB 4.47Å; V532-A543 HydrophobicContact CG2-CB 3.56Å; V532-L544 HydrophobicContact CG1-CD2 3.85Å; V532-L544 HydrophobicContact CG1-CG 4.13Å; V532-L544 HydrophobicContact CG2-CD2 4.46Å; V532-V578 HydrophobicContact CB-CG1 3.74Å; V532-V578 HydrophobicContact CG1-CG1 3.47Å; V532-V578 VanDerWaalsContact CG1-CG1 3.47Å; V532-R582 HydrophobicContact CG1-CG 4.03Å; V532-R582 VanDerWaalsContact O-CZ 3.25Å; V532-R582 PolarHBondContact O-NE 3.11Å; V532-R582 PolarHBondContact O-NH2 3.47Å |
| 533 | E | 85.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 3.8 | 175.5 | -66.3 | -167.5 | 147.7 | 0 | 0 | 113.5 | L529 T530 C531 V578 K581 R582 | L529-E533 PolarHBondContact O-N 2.72Å; T530-E533 PolarHBondContact O-N 3.15Å; T530-E533 VanDerWaalsContact O-N 3.16Å; C531-E533 VanDerWaalsContact C-N 3.3Å; E533-V578 HydrophobicContact CG-CG1 3.93Å; E533-V578 HydrophobicContact CG-CG2 4.49Å; E533-K581 IonicContact OE1-NZ 2.79Å; E533-K581 PolarHBondContact OE1-NZ 3.25Å; E533-R582 VanDerWaalsContact CA-NH2 3.32Å; E533-R582 PolarHBondContact O-NH2 3.33Å |
| 534 | D | 85.5 | Confident | 85.6 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | trans | -63.4 | 153.3 | 179.6 | -157.9 | -54.2 | 0 | 0 | 0 | 112.7 | R498 T530 C531 V532 F536 I539 T540 R582 | R498-D534 IonicContact NH1-OD2 2.95Å; R498-D534 PolarHBondContact NH1-OD2 3.06Å; T530-D534 PolarHBondContact O-N 3.03Å; C531-D534 VanDerWaalsContact O-CB 3.27Å; C531-D534 WeakPolarHBondContact O-CB 3.35Å; C531-D534 PolarHBondContact O-N 2.95Å; V532-D534 VanDerWaalsContact C-N 3.29Å; D534-F536 VanDerWaalsContact C-N 3.35Å; D534-F536 PolarHBondContact OD1-N 3.39Å; D534-I539 HydrophobicContact CB-CB 4.48Å; D534-I539 HydrophobicContact CB-CG2 4.08Å; D534-T540 PolarHBondContact O-OG1 2.96Å; D534-R582 PolarHBondContact O-NH2 3.21Å | ||
| 535 | T | 83.3 | Confident | 86 | Confident | 145 Ų | 145 | 37 Ų | 37 | 89% | 0.89 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -69.9 | -31.1 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 536 | F | 86.6 | Confident | 86.3 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -86.3 | 122.8 | -175.8 | -170.1 | -128.2 | 0 | 0 | 0 | 111.9 | I499 D534 K538 I539 T540 | I499-F536 HydrophobicContact CD1-CE1 4.07Å; D534-F536 VanDerWaalsContact C-N 3.35Å; D534-F536 PolarHBondContact OD1-N 3.39Å; F536-K538 HydrophobicContact CD1-CB 4.04Å; F536-K538 HydrophobicContact CE1-CB 3.58Å; F536-K538 HydrophobicContact CE1-CD 4.06Å; F536-K538 HydrophobicContact CE1-CG 3.94Å; F536-K538 HydrophobicContact CZ-CB 4.07Å; F536-K538 HydrophobicContact CZ-CD 3.9Å; F536-K538 HydrophobicContact CZ-CG 3.89Å; F536-K538 PolarHBondContact O-N 3.48Å; F536-I539 HydrophobicContact CB-CD1 4.19Å; F536-I539 HydrophobicContact CD1-CD1 3.97Å; F536-I539 HydrophobicContact CD1-CG1 3.95Å; F536-I539 PolarHBondContact O-N 3.03Å; F536-T540 PolarHBondContact O-N 3.21Å; F536-T540 PolarHBondContact O-OG1 3.18Å |
| 537 | Y | 85.5 | Confident | 86.4 | Confident | 88 Ų | 88 | 33.8 Ų | 33.8 | 35% | 0.345 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.3 | -35.4 | -171.9 | 72 | -89.8 | 0 | 0 | 0 | 113.5 | T540 S541 D589 V592 | Y537-T540 WeakPolarHBondContact O-CB 3.44Å; Y537-T540 PolarHBondContact O-N 3.42Å; Y537-S541 WeakPolarHBondContact O-CB 3.22Å; Y537-S541 PolarHBondContact O-N 2.62Å; Y537-D589 HydrophobicContact CD2-CB 3.92Å; Y537-D589 HydrophobicContact CG-CB 4.03Å; Y537-V592 WeakPolarHBondContact O-CG2 3.4Å |
| 538 | K | 87.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 34.7 Ų | 34.7 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.1 | -42.6 | -179.8 | -64.4 | -168.9 | 175.7 | -175.6 | 0 | 112.4 | I499 F536 T540 S541 E542 | I499-K538 HydrophobicContact CD1-CB 3.69Å; I499-K538 HydrophobicContact CD1-CD 4.37Å; I499-K538 HydrophobicContact CG1-CB 4.45Å; F536-K538 HydrophobicContact CD1-CB 4.04Å; F536-K538 HydrophobicContact CE1-CB 3.58Å; F536-K538 HydrophobicContact CE1-CD 4.06Å; F536-K538 HydrophobicContact CE1-CG 3.94Å; F536-K538 HydrophobicContact CZ-CB 4.07Å; F536-K538 HydrophobicContact CZ-CD 3.9Å; F536-K538 HydrophobicContact CZ-CG 3.89Å; F536-K538 PolarHBondContact O-N 3.48Å; K538-T540 VanDerWaalsContact C-N 3.31Å; K538-T540 PolarHBondContact O-N 3.1Å; K538-S541 PolarHBondContact O-N 3.49Å; K538-S541 PolarHBondContact O-OG 3.15Å; K538-E542 PolarHBondContact O-N 3.09Å; K538-E542 VanDerWaalsContact O-N 3.14Å |
| 539 | I | 87.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 174 | -68.3 | 165.3 | 0 | 0 | 0 | 109.5 | R498 I499 L502 C531 D534 F536 S541 E542 A543 | R498-I539 HydrophobicContact CB-CD1 4.12Å; R498-I539 HydrophobicContact CB-CG1 4.16Å; I499-I539 HydrophobicContact CD1-CG1 4.41Å; I499-I539 HydrophobicContact CG1-CG1 3.91Å; L502-I539 HydrophobicContact CD1-CG2 4.06Å; C531-I539 HydrophobicContact CB-CG2 3.97Å; D534-I539 HydrophobicContact CB-CB 4.48Å; D534-I539 HydrophobicContact CB-CG2 4.08Å; F536-I539 HydrophobicContact CB-CD1 4.19Å; F536-I539 HydrophobicContact CD1-CD1 3.97Å; F536-I539 HydrophobicContact CD1-CG1 3.95Å; F536-I539 PolarHBondContact O-N 3.03Å; I539-S541 VanDerWaalsContact C-N 3.28Å; I539-S541 PolarHBondContact O-N 3.49Å; I539-E542 PolarHBondContact O-N 3.06Å; I539-A543 WeakPolarHBondContact O-CB 3.37Å; I539-A543 PolarHBondContact O-N 3.18Å |
| 540 | T | 87.1 | Confident | 86.5 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 177.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | V532 D534 F536 Y537 K538 A543 L544 V592 | V532-T540 HydrophobicContact CG1-CG2 4.38Å; V532-T540 WeakPolarHBondContact O-CG2 3.31Å; D534-T540 PolarHBondContact O-OG1 2.96Å; F536-T540 PolarHBondContact O-N 3.21Å; F536-T540 PolarHBondContact O-OG1 3.18Å; Y537-T540 WeakPolarHBondContact O-CB 3.44Å; Y537-T540 PolarHBondContact O-N 3.42Å; K538-T540 VanDerWaalsContact C-N 3.31Å; K538-T540 PolarHBondContact O-N 3.1Å; T540-A543 PolarHBondContact O-N 3.36Å; T540-L544 HydrophobicContact CG2-CD1 4.04Å; T540-L544 HydrophobicContact CG2-CG 4.47Å; T540-L544 WeakPolarHBondContact O-CB 3.36Å; T540-L544 VanDerWaalsContact O-CG 3.27Å; T540-L544 WeakPolarHBondContact O-CG 3.27Å; T540-L544 PolarHBondContact O-N 2.87Å; T540-V592 HydrophobicContact CG2-CG1 3.65Å; T540-V592 HydrophobicContact CG2-CG2 4.32Å |
| 541 | S | 87.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | -178.4 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | Y537 K538 I539 L545 R595 | Y537-S541 WeakPolarHBondContact O-CB 3.22Å; Y537-S541 PolarHBondContact O-N 2.62Å; K538-S541 PolarHBondContact O-N 3.49Å; K538-S541 PolarHBondContact O-OG 3.15Å; I539-S541 VanDerWaalsContact C-N 3.28Å; I539-S541 PolarHBondContact O-N 3.49Å; S541-L545 PolarHBondContact O-N 2.82Å; S541-R595 PolarHBondContact O-NH1 3.42Å |
| 542 | E | 87.3 | Confident | 86.2 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 15% | 0.154 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.4 | -37.7 | 176.5 | -70.7 | -55.4 | 119.2 | 0 | 0 | 111.2 | I499 L502 K538 I539 L544 L545 V546 R595 | I499-E542 HydrophobicContact CG2-CG 4.29Å; L502-E542 HydrophobicContact CB-CB 3.94Å; L502-E542 HydrophobicContact CD1-CB 4.07Å; K538-E542 PolarHBondContact O-N 3.09Å; K538-E542 VanDerWaalsContact O-N 3.14Å; I539-E542 PolarHBondContact O-N 3.06Å; E542-L544 VanDerWaalsContact C-N 3.32Å; E542-L544 PolarHBondContact O-N 3.36Å; E542-L545 WeakPolarHBondContact O-CB 3.31Å; E542-L545 PolarHBondContact O-N 3.09Å; E542-L545 VanDerWaalsContact O-N 3.09Å; E542-V546 WeakPolarHBondContact O-CG2 3.39Å; E542-V546 PolarHBondContact O-N 3.43Å; E542-R595 IonicContact OE1-CZ 2.97Å; E542-R595 IonicContact OE1-NH1 3.98Å; E542-R595 PolarHBondContact OE1-NH1 3.49Å; E542-R595 IonicContact OE1-NH2 3.63Å |
| 543 | A | 88.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L502 V528 C531 V532 I539 T540 L545 V546 T547 | L502-A543 HydrophobicContact CD1-CB 3.94Å; L502-A543 HydrophobicContact CD2-CB 4.35Å; V528-A543 HydrophobicContact CG1-CB 4.44Å; C531-A543 HydrophobicContact CB-CB 3.78Å; V532-A543 HydrophobicContact CB-CB 4.47Å; V532-A543 HydrophobicContact CG2-CB 3.56Å; I539-A543 WeakPolarHBondContact O-CB 3.37Å; I539-A543 PolarHBondContact O-N 3.18Å; T540-A543 PolarHBondContact O-N 3.36Å; A543-L545 VanDerWaalsContact C-N 3.32Å; A543-V546 PolarHBondContact O-N 2.86Å; A543-T547 WeakPolarHBondContact O-CB 3.26Å; A543-T547 PolarHBondContact O-N 3.31Å; A543-T547 PolarHBondContact O-OG1 3.13Å |
| 544 | L | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 172.7 | -76.8 | 168.4 | 0 | 0 | 0 | 112.3 | V532 T540 E542 T547 Q548 T579 V592 R595 A596 C599 | V532-L544 HydrophobicContact CG1-CD2 3.85Å; V532-L544 HydrophobicContact CG1-CG 4.13Å; V532-L544 HydrophobicContact CG2-CD2 4.46Å; T540-L544 HydrophobicContact CG2-CD1 4.04Å; T540-L544 HydrophobicContact CG2-CG 4.47Å; T540-L544 WeakPolarHBondContact O-CB 3.36Å; T540-L544 VanDerWaalsContact O-CG 3.27Å; T540-L544 WeakPolarHBondContact O-CG 3.27Å; T540-L544 PolarHBondContact O-N 2.87Å; E542-L544 VanDerWaalsContact C-N 3.32Å; E542-L544 PolarHBondContact O-N 3.36Å; L544-T547 PolarHBondContact O-N 3.43Å; L544-Q548 WeakPolarHBondContact O-CB 3.25Å; L544-Q548 PolarHBondContact O-N 3.27Å; L544-T579 HydrophobicContact CD2-CG2 4.37Å; L544-V592 HydrophobicContact CD1-CG1 3.83Å; L544-R595 HydrophobicContact CB-CB 3.96Å; L544-R595 HydrophobicContact CD1-CB 4.15Å; L544-A596 HydrophobicContact CD1-CB 4Å; L544-C599 HydrophobicContact CD2-CB 4.36Å |
| 545 | L | 88.4 | Confident | 84.7 | Confident | 28 Ų | 28 | 30.7 Ų | 30.7 | 15% | 0.147 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 177.2 | -154.8 | 179.5 | 0 | 0 | 0 | 110.5 | H506 S541 E542 A543 T547 Q548 Q549 | H506-L545 WeakPolarHBondContact CE1-CD2 3.43Å; H506-L545 WeakPolarHBondContact ND1-CD2 3.45Å; H506-L545 WeakPolarHBondContact NE2-CD2 3.43Å; S541-L545 PolarHBondContact O-N 2.82Å; E542-L545 WeakPolarHBondContact O-CB 3.31Å; E542-L545 PolarHBondContact O-N 3.09Å; E542-L545 VanDerWaalsContact O-N 3.09Å; A543-L545 VanDerWaalsContact C-N 3.32Å; L545-T547 VanDerWaalsContact C-N 3.32Å; L545-T547 PolarHBondContact O-N 3.03Å; L545-Q548 WeakPolarHBondContact O-CB 3.18Å; L545-Q548 PolarHBondContact O-N 3.23Å; L545-Q549 PolarHBondContact O-N 3.3Å |
| 546 | V | 88.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 170.5 | 168 | 0 | 0 | 0 | 0 | 110.9 | L502 F505 H506 L509 V528 E542 A543 Q548 Q549 L550 | L502-V546 HydrophobicContact CB-CG2 4.27Å; L502-V546 HydrophobicContact CD2-CG2 4.07Å; L502-V546 VanDerWaalsContact O-CG2 3.26Å; L502-V546 WeakPolarHBondContact O-CG2 3.43Å; F505-V546 HydrophobicContact CD1-CB 4.34Å; F505-V546 HydrophobicContact CD1-CG1 3.25Å; F505-V546 HydrophobicContact CD1-CG2 4.12Å; F505-V546 HydrophobicContact CE1-CG1 3.33Å; F505-V546 HydrophobicContact CG-CG1 4.44Å; H506-V546 HydrophobicContact CB-CG2 3.96Å; L509-V546 HydrophobicContact CD1-CG1 4.14Å; V528-V546 HydrophobicContact CG1-CB 4.34Å; V528-V546 HydrophobicContact CG1-CG1 3.88Å; V528-V546 HydrophobicContact CG2-CG1 3.92Å; E542-V546 WeakPolarHBondContact O-CG2 3.39Å; E542-V546 PolarHBondContact O-N 3.43Å; A543-V546 PolarHBondContact O-N 2.86Å; V546-Q548 VanDerWaalsContact C-N 3.3Å; V546-Q548 PolarHBondContact O-N 3.34Å; V546-Q549 PolarHBondContact O-N 3.38Å; V546-L550 HydrophobicContact CG1-CD1 3.97Å; V546-L550 HydrophobicContact CG1-CG 4.21Å; V546-L550 WeakPolarHBondContact O-CG 3.28Å; V546-L550 PolarHBondContact O-N 3.45Å |
| 547 | T | 88.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V528 A543 L544 L545 Q549 L550 I551 V575 | V528-T547 WeakPolarHBondContact CG1-OG1 3.37Å; A543-T547 WeakPolarHBondContact O-CB 3.26Å; A543-T547 PolarHBondContact O-N 3.31Å; A543-T547 PolarHBondContact O-OG1 3.13Å; L544-T547 PolarHBondContact O-N 3.43Å; L545-T547 VanDerWaalsContact C-N 3.32Å; L545-T547 PolarHBondContact O-N 3.03Å; T547-Q549 VanDerWaalsContact C-N 3.29Å; T547-Q549 PolarHBondContact O-N 2.88Å; T547-L550 PolarHBondContact O-N 3.41Å; T547-I551 HydrophobicContact CG2-CD1 4.3Å; T547-I551 WeakPolarHBondContact O-CD1 3.09Å; T547-I551 VanDerWaalsContact O-CG1 3.31Å; T547-I551 WeakPolarHBondContact O-CG1 3.02Å; T547-I551 PolarHBondContact O-N 3.38Å; T547-V575 HydrophobicContact CG2-CG1 3.65Å |
| 548 | Q | 88.4 | Confident | 80.6 | Confident | 26 Ų | 26 | 27.3 Ų | 27.3 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.8 | -42 | 174.1 | 179.2 | -171.4 | -13.8 | 0 | 0 | 112 | L544 L545 V546 S598 C599 H602 | L544-Q548 WeakPolarHBondContact O-CB 3.25Å; L544-Q548 PolarHBondContact O-N 3.27Å; L545-Q548 WeakPolarHBondContact O-CB 3.18Å; L545-Q548 PolarHBondContact O-N 3.23Å; V546-Q548 VanDerWaalsContact C-N 3.3Å; V546-Q548 PolarHBondContact O-N 3.34Å; Q548-S598 PolarHBondContact NE2-OG 2.71Å; Q548-C599 HydrophobicContact CB-CB 4.21Å; Q548-H602 VanDerWaalsContact CD-CD2 3.45Å; Q548-H602 HydrophobicContact CG-CB 4.02Å; Q548-H602 WeakPolarHBondContact CG-CD2 3.44Å; Q548-H602 PolarHBondContact NE2-CD2 2.96Å; Q548-H602 PolarHBondContact NE2-NE2 3.16Å |
| 549 | Q | 86.1 | Confident | 78.7 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 12% | 0.121 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.8 | -38.3 | 178.6 | -168.4 | 66 | 5.4 | 0 | 0 | 111.8 | L509 L545 V546 T547 I551 K552 V553 | L509-Q549 HydrophobicContact CB-CB 4.27Å; L509-Q549 HydrophobicContact CB-CG 3.45Å; L509-Q549 VanDerWaalsContact CB-CG 3.45Å; L509-Q549 HydrophobicContact CD1-CB 4.17Å; L509-Q549 HydrophobicContact CD1-CG 4.22Å; L509-Q549 HydrophobicContact CG-CG 4.47Å; L509-Q549 PolarHBondContact O-NE2 2.98Å; L545-Q549 PolarHBondContact O-N 3.3Å; V546-Q549 PolarHBondContact O-N 3.38Å; T547-Q549 VanDerWaalsContact C-N 3.29Å; T547-Q549 PolarHBondContact O-N 2.88Å; Q549-I551 VanDerWaalsContact C-N 3.26Å; Q549-I551 PolarHBondContact O-N 3.12Å; Q549-K552 WeakPolarHBondContact O-CB 3.26Å; Q549-K552 PolarHBondContact O-N 3.47Å; Q549-V553 WeakPolarHBondContact O-CG2 3.47Å; Q549-V553 PolarHBondContact O-N 3.12Å |
| 550 | L | 83.8 | Confident | 76.4 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.4 | -39 | 173.2 | -72.6 | 175.7 | 0 | 0 | 0 | 112 | F505 L509 M521 L525 V528 V546 T547 K552 V553 M554 | F505-L550 HydrophobicContact CE1-CD1 4.23Å; F505-L550 HydrophobicContact CE1-CD2 4.18Å; F505-L550 HydrophobicContact CE1-CG 4.42Å; F505-L550 HydrophobicContact CZ-CD2 3.93Å; L509-L550 HydrophobicContact CD1-CD2 3.77Å; L509-L550 HydrophobicContact CD1-CG 3.93Å; L509-L550 HydrophobicContact CD2-CD2 3.97Å; M521-L550 HydrophobicContact CE-CD2 3.81Å; M521-L550 HydrophobicContact SD-CD2 3.92Å; L525-L550 HydrophobicContact CD1-CD1 4.1Å; V528-L550 HydrophobicContact CG1-CD1 4.48Å; V528-L550 HydrophobicContact CG2-CD1 4.27Å; V546-L550 HydrophobicContact CG1-CD1 3.97Å; V546-L550 HydrophobicContact CG1-CG 4.21Å; V546-L550 WeakPolarHBondContact O-CG 3.28Å; V546-L550 PolarHBondContact O-N 3.45Å; T547-L550 PolarHBondContact O-N 3.41Å; L550-K552 VanDerWaalsContact C-N 3.3Å; L550-K552 PolarHBondContact O-N 3.1Å; L550-V553 WeakPolarHBondContact O-CA 3.44Å; L550-V553 WeakPolarHBondContact O-CB 3.41Å; L550-V553 PolarHBondContact O-N 3.35Å; L550-M554 WeakPolarHBondContact O-CG 3.48Å; L550-M554 PolarHBondContact O-N 3.2Å |
| 551 | I | 82.4 | Confident | 74.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 174.1 | -70.4 | 159.7 | 0 | 0 | 0 | 111.4 | T547 Q549 V553 M554 R555 V575 H602 M603 H606 L607 | T547-I551 HydrophobicContact CG2-CD1 4.3Å; T547-I551 WeakPolarHBondContact O-CD1 3.09Å; T547-I551 VanDerWaalsContact O-CG1 3.31Å; T547-I551 WeakPolarHBondContact O-CG1 3.02Å; T547-I551 PolarHBondContact O-N 3.38Å; Q549-I551 VanDerWaalsContact C-N 3.26Å; Q549-I551 PolarHBondContact O-N 3.12Å; I551-V553 VanDerWaalsContact C-N 3.29Å; I551-V553 PolarHBondContact O-N 3.38Å; I551-M554 PolarHBondContact O-N 2.95Å; I551-R555 PolarHBondContact O-N 3.42Å; I551-V575 HydrophobicContact CD1-CG1 4.22Å; I551-V575 HydrophobicContact CG1-CG1 4.45Å; I551-H602 HydrophobicContact CG2-CB 4.43Å; I551-M603 HydrophobicContact CD1-CB 3.86Å; I551-M603 HydrophobicContact CD1-CG 4.25Å; I551-H606 HydrophobicContact CG2-CB 4.02Å; I551-L607 HydrophobicContact CG2-CD1 4.04Å |
| 552 | K | 79.9 | Confident | 72.2 | Confident | 64 Ų | 64 | 42 Ų | 42 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.8 | -32.4 | 175.7 | -59 | -176.3 | -162.3 | 154 | 0 | 112.1 | Q549 L550 R555 P556 H602 | Q549-K552 WeakPolarHBondContact O-CB 3.26Å; Q549-K552 PolarHBondContact O-N 3.47Å; L550-K552 VanDerWaalsContact C-N 3.3Å; L550-K552 PolarHBondContact O-N 3.1Å; K552-R555 CarbonylContact O-C 3.5Å; K552-R555 PolarHBondContact O-N 3.03Å; K552-P556 WeakPolarHBondContact O-CA 3.34Å; K552-P556 VanDerWaalsContact O-N 3.13Å; K552-H602 WeakPolarHBondContact CE-CE1 3.28Å; K552-H602 WeakPolarHBondContact CE-ND1 3.32Å |
| 553 | V | 79.1 | Confident | 70 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | L509 P514 F517 M521 Q549 L550 I551 R555 | L509-V553 HydrophobicContact CD2-CG2 4.24Å; P514-V553 HydrophobicContact CB-CB 4.08Å; P514-V553 HydrophobicContact CB-CG1 3.7Å; P514-V553 HydrophobicContact CB-CG2 4.09Å; P514-V553 WeakPolarHBondContact O-CG1 3.33Å; F517-V553 HydrophobicContact CB-CG1 4.02Å; M521-V553 HydrophobicContact CE-CB 3.84Å; M521-V553 HydrophobicContact CE-CG1 3.24Å; Q549-V553 WeakPolarHBondContact O-CG2 3.47Å; Q549-V553 PolarHBondContact O-N 3.12Å; L550-V553 WeakPolarHBondContact O-CA 3.44Å; L550-V553 WeakPolarHBondContact O-CB 3.41Å; L550-V553 PolarHBondContact O-N 3.35Å; I551-V553 VanDerWaalsContact C-N 3.29Å; I551-V553 PolarHBondContact O-N 3.38Å; V553-R555 PolarHBondContact O-N 2.94Å |
| 554 | M | 73.4 | Confident | 68 | Low | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -32.6 | 175.3 | -68.1 | 175 | 70.5 | 0 | 0 | 112.3 | L550 I551 F566 P568 F571 I572 L607 | L550-M554 WeakPolarHBondContact O-CG 3.48Å; L550-M554 PolarHBondContact O-N 3.2Å; I551-M554 PolarHBondContact O-N 2.95Å; M554-F566 HydrophobicContact CG-CE1 4.31Å; M554-P568 HydrophobicContact CE-CB 3.66Å; M554-F571 HydrophobicContact CE-CB 3.67Å; M554-I572 HydrophobicContact CE-CG1 4.35Å; M554-L607 HydrophobicContact CE-CD1 4.48Å |
| 555 | R | 70.6 | Confident | 66.2 | Low | 48 Ų | 48 | 50.9 Ų | 50.9 | 18% | 0.181 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -147.1 | 94.7 | 173.7 | -167 | -172.7 | -167.6 | 165.7 | 4.6 | 111.4 | I551 K552 V553 H606 D609 | I551-R555 PolarHBondContact O-N 3.42Å; K552-R555 CarbonylContact O-C 3.5Å; K552-R555 PolarHBondContact O-N 3.03Å; V553-R555 PolarHBondContact O-N 2.94Å; R555-H606 WeakPolarHBondContact CD-O 3.24Å; R555-H606 PolarHBondContact NH1-O 3.25Å; R555-H606 PolarHBondContact O-CE1 2.99Å; R555-H606 PolarHBondContact O-ND1 3.45Å; R555-D609 IonicContact CZ-OD2 3.13Å; R555-D609 VanDerWaalsContact NH1-CG 3.26Å; R555-D609 IonicContact NH1-OD1 2.74Å; R555-D609 PolarHBondContact NH1-OD1 3.34Å; R555-D609 IonicContact NH1-OD2 2.89Å; R555-D609 PolarHBondContact NH1-OD2 2.79Å; R555-D609 IonicContact NH2-OD2 2.79Å; R555-D609 PolarHBondContact NH2-OD2 2.62Å; R555-D609 VanDerWaalsContact NH2-OD2 3.13Å |
| 556 | P | 64 | Low | 64.8 | Low | 26 Ų | 26 | 51.8 Ų | 51.8 | 17% | 0.169 | 33% | 0.326 | C | S | . | . | trans | -64 | 136.8 | 176 | 23.3 | -30.4 | 0 | 0 | 0 | 111.1 | P514 K552 G558 Q559 | P514-P556 HydrophobicContact CG-CB 4.08Å; P514-P556 HydrophobicContact CG-CG 4.34Å; K552-P556 WeakPolarHBondContact O-CA 3.34Å; K552-P556 VanDerWaalsContact O-N 3.13Å; P556-G558 PolarHBondContact O-N 2.91Å; P556-Q559 HydrophobicContact CG-CB 4.47Å | ||
| 557 | Q | 56.1 | Low | 63.7 | Low | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 122.4 | 176.4 | -82.4 | 171.8 | 0.9 | 0 | 0 | 109.7 | H606 | Q557-H606 VanDerWaalsContact CG-CE1 3.47Å; Q557-H606 WeakPolarHBondContact CG-CE1 3.46Å; Q557-H606 PolarHBondContact NE2-NE2 3.27Å |
| 558 | G | 51.3 | Low | 62.6 | Low | 83 Ų | 83 | 57 Ų | 57 | 86% | 0.856 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.7 | -10.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | P556 | P556-G558 PolarHBondContact O-N 2.91Š|
| 559 | Q | 45.4 | Very low | 61.7 | Low | 79 Ų | 79 | 61.5 Ų | 61.5 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -103.5 | 121.3 | 170 | -73.5 | 176.2 | -4.1 | 0 | 0 | 109.8 | P556 | P556-Q559 HydrophobicContact CG-CB 4.47Š|
| 560 | T | 39.4 | Very low | 61 | Low | 106 Ų | 106 | 63.9 Ų | 63.9 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | trans | -60 | 141.8 | 170.5 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | T562 S563 | T560-T562 PolarHBondContact O-N 2.93Å; T560-S563 PolarHBondContact O-OG 3.48Å | ||
| 561 | T | 44.1 | Very low | 60.5 | Low | 101 Ų | 101 | 65.2 Ų | 65.2 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 11.2 | -174.3 | 42.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 562 | T | 42.2 | Very low | 60.1 | Low | 120 Ų | 120 | 65.6 Ų | 65.6 | 74% | 0.736 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -2.1 | -171 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | T560 | T560-T562 PolarHBondContact O-N 2.93Š|
| 563 | S | 42.3 | Very low | 60 | Low | 83 Ų | 83 | 69.9 Ų | 69.9 | 58% | 0.58 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -105.4 | -9.3 | -175.1 | 53.4 | 0 | 0 | 0 | 0 | 116 | T560 | T560-S563 PolarHBondContact O-OG 3.48Š|
| 564 | S | 45.9 | Very low | 60 | Low | 35 Ų | 35 | 75.6 Ų | 75.6 | 25% | 0.245 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -131.3 | 118.2 | 173.2 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | F566 | S564-F566 PolarHBondContact O-N 3.4Š|
| 565 | G | 50.3 | Low | 60.4 | Low | 102 Ų | 102 | 75.1 Ų | 75.1 | 100% | 1.052 | 44% | 0.444 | S | S | * | . | trans | -66.4 | 39.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 566 | F | 60.4 | Low | 60.9 | Low | 46 Ų | 46 | 73.4 Ų | 73.4 | 20% | 0.202 | 44% | 0.438 | C | S | . | . | trans | -104.5 | 120.3 | 176.5 | -176.2 | -100.3 | 0 | 0 | 0 | 110.2 | Q518 M521 M554 S564 P568 F571 | Q518-F566 HydrophobicContact CB-CD2 4.3Å; Q518-F566 HydrophobicContact CB-CG 4.46Å; Q518-F566 WeakPolarHBondContact O-CE2 3.35Å; M521-F566 HydrophobicContact CB-CE2 3.99Å; M521-F566 HydrophobicContact CB-CZ 3.87Å; M521-F566 HydrophobicContact CG-CE2 4.14Å; M521-F566 HydrophobicContact CG-CZ 3.9Å; M554-F566 HydrophobicContact CG-CE1 4.31Å; S564-F566 PolarHBondContact O-N 3.4Å; F566-P568 HydrophobicContact CE1-CB 4.35Å; F566-P568 WeakPolarHBondContact O-CD 3.49Å; F566-F571 HydrophobicContact CE1-CD2 4.37Å; F566-F571 AromaticContact CE2-CE2 3.96Å; F566-F571 HydrophobicContact CE2-CE2 3.96Å; F566-F571 AromaticContact CZ-CD2 3.73Å; F566-F571 HydrophobicContact CZ-CD2 3.73Å; F566-F571 AromaticContact CZ-CE2 3.58Å; F566-F571 HydrophobicContact CZ-CE2 3.58Å | ||
| 567 | D | 64.8 | Low | 61.8 | Low | 89 Ų | 89 | 74.8 Ų | 74.8 | 48% | 0.476 | 45% | 0.448 | S | S | . | . | trans | -89.5 | 111.7 | 173.1 | -172.6 | 4.7 | 0 | 0 | 0 | 110.1 | K569 P570 | D567-K569 VanDerWaalsContact C-N 3.31Å; D567-K569 PolarHBondContact O-N 3.17Å; D567-K569 WeakPolarHBondContact OD1-CB 3.08Å; D567-K569 WeakPolarHBondContact OD1-CD 3.43Å; D567-K569 WeakPolarHBondContact OD1-CG 3.42Å; D567-K569 PolarHBondContact OD1-N 3.26Å; D567-P570 WeakPolarHBondContact O-CD 3.33Å | ||
| 568 | P | 64.9 | Low | 63 | Low | 23 Ų | 23 | 69.6 Ų | 69.6 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | trans | -74.8 | -17.8 | -178.9 | 29.5 | -34.5 | 0 | 0 | 0 | 113.5 | M554 F566 P570 F571 I572 L607 | M554-P568 HydrophobicContact CE-CB 3.66Å; F566-P568 HydrophobicContact CE1-CB 4.35Å; F566-P568 WeakPolarHBondContact O-CD 3.49Å; P568-P570 VanDerWaalsContact C-CD 3.41Å; P568-F571 PolarHBondContact O-N 3.38Å; P568-F571 VanDerWaalsContact O-N 3.12Å; P568-I572 HydrophobicContact CB-CD1 4.36Å; P568-I572 WeakPolarHBondContact O-CG1 3.43Å; P568-I572 PolarHBondContact O-N 2.9Å; P568-L607 HydrophobicContact CB-CD2 4.34Å | ||
| 569 | K | 69.2 | Low | 64.5 | Low | 120 Ų | 120 | 65.7 Ų | 65.7 | 52% | 0.522 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -49.2 | -45.1 | -170.5 | -70.9 | 172.3 | -172.3 | 172.6 | 0 | 116.7 | D567 F571 I572 | D567-K569 VanDerWaalsContact C-N 3.31Å; D567-K569 PolarHBondContact O-N 3.17Å; D567-K569 WeakPolarHBondContact OD1-CB 3.08Å; D567-K569 WeakPolarHBondContact OD1-CD 3.43Å; D567-K569 WeakPolarHBondContact OD1-CG 3.42Å; D567-K569 PolarHBondContact OD1-N 3.26Å; K569-F571 PolarHBondContact O-N 3.32Å; K569-I572 PolarHBondContact O-N 3.46Å |
| 570 | P | 72.4 | Confident | 66.4 | Low | 75 Ų | 75 | 63 Ų | 63 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.1 | -19 | -175.8 | 27.6 | -35 | 0 | 0 | 0 | 113.6 | D567 P568 | D567-P570 WeakPolarHBondContact O-CD 3.33Å; P568-P570 VanDerWaalsContact C-CD 3.41Å |
| 571 | F | 72.5 | Confident | 68.5 | Low | 30 Ų | 30 | 63.9 Ų | 63.9 | 13% | 0.132 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -93.2 | -25.7 | -176.3 | -60.5 | -62.7 | 0 | 0 | 0 | 112.7 | Q522 L525 M554 F566 P568 K569 Q573 K574 V575 | Q522-F571 HydrophobicContact CB-CZ 4.34Å; L525-F571 HydrophobicContact CD2-CB 3.61Å; L525-F571 HydrophobicContact CD2-CD1 3.42Å; L525-F571 VanDerWaalsContact CD2-CD1 3.42Å; L525-F571 HydrophobicContact CD2-CE1 4.39Å; L525-F571 HydrophobicContact CD2-CG 3.82Å; M554-F571 HydrophobicContact CE-CB 3.67Å; F566-F571 HydrophobicContact CE1-CD2 4.37Å; F566-F571 AromaticContact CE2-CE2 3.96Å; F566-F571 HydrophobicContact CE2-CE2 3.96Å; F566-F571 AromaticContact CZ-CD2 3.73Å; F566-F571 HydrophobicContact CZ-CD2 3.73Å; F566-F571 AromaticContact CZ-CE2 3.58Å; F566-F571 HydrophobicContact CZ-CE2 3.58Å; P568-F571 PolarHBondContact O-N 3.38Å; P568-F571 VanDerWaalsContact O-N 3.12Å; K569-F571 PolarHBondContact O-N 3.32Å; F571-Q573 PolarHBondContact O-N 2.88Å; F571-K574 PolarHBondContact O-N 3.27Å; F571-V575 WeakPolarHBondContact O-CG2 3.4Å; F571-V575 PolarHBondContact O-N 3.48Å; F571-V575 VanDerWaalsContact O-N 3.13Å |
| 572 | I | 74.7 | Confident | 70.4 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.046 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.2 | -49.9 | -175.6 | -62.2 | 173 | 0 | 0 | 0 | 111.4 | M554 P568 K569 K574 V575 F576 L607 H610 L611 | M554-I572 HydrophobicContact CE-CG1 4.35Å; P568-I572 HydrophobicContact CB-CD1 4.36Å; P568-I572 WeakPolarHBondContact O-CG1 3.43Å; P568-I572 PolarHBondContact O-N 2.9Å; K569-I572 PolarHBondContact O-N 3.46Å; I572-K574 VanDerWaalsContact C-N 3.31Å; I572-K574 PolarHBondContact O-N 3.17Å; I572-V575 PolarHBondContact O-N 3.48Å; I572-F576 WeakPolarHBondContact O-CB 3.45Å; I572-F576 PolarHBondContact O-N 3.45Å; I572-L607 HydrophobicContact CD1-CB 4.46Å; I572-L607 HydrophobicContact CD1-CD2 4.06Å; I572-L607 HydrophobicContact CG1-CD1 4.17Å; I572-L607 HydrophobicContact CG1-CD2 4.34Å; I572-H610 HydrophobicContact CD1-CB 3.9Å; I572-L611 HydrophobicContact CG2-CD1 3.87Å |
| 573 | Q | 77.5 | Confident | 72.3 | Confident | 154 Ų | 154 | 56 Ų | 56 | 72% | 0.72 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | -176.9 | -69.3 | -178.6 | -8.5 | 0 | 0 | 112.5 | F571 S577 | F571-Q573 PolarHBondContact O-N 2.88Å; Q573-S577 WeakPolarHBondContact O-CB 3.26Å; Q573-S577 PolarHBondContact O-N 3.33Å; Q573-S577 PolarHBondContact O-OG 3.01Å |
| 574 | K | 78.1 | Confident | 74.3 | Confident | 124 Ų | 124 | 58.2 Ų | 58.2 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67 | -50.3 | 178.8 | -65.6 | -176.3 | -178.6 | -179.7 | 0 | 111 | L529 F571 I572 F576 S577 V578 | L529-K574 HydrophobicContact CD1-CB 3.95Å; F571-K574 PolarHBondContact O-N 3.27Å; I572-K574 VanDerWaalsContact C-N 3.31Å; I572-K574 PolarHBondContact O-N 3.17Å; K574-F576 VanDerWaalsContact C-N 3.34Å; K574-F576 PolarHBondContact O-N 3.15Å; K574-S577 PolarHBondContact O-N 2.87Å; K574-S577 PolarHBondContact O-OG 3.23Å; K574-V578 WeakPolarHBondContact O-CG2 3.47Å; K574-V578 PolarHBondContact O-N 2.94Å |
| 575 | V | 81.3 | Confident | 76 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.8 | 179 | 0 | 0 | 0 | 0 | 111.5 | L525 L529 T547 I551 F571 I572 T579 M603 | L525-V575 HydrophobicContact CD1-CG2 3.74Å; L525-V575 HydrophobicContact CD2-CG2 3.88Å; L525-V575 HydrophobicContact CG-CG2 4.2Å; L529-V575 HydrophobicContact CD1-CG2 4.47Å; L529-V575 HydrophobicContact CD2-CG2 4.26Å; T547-V575 HydrophobicContact CG2-CG1 3.65Å; I551-V575 HydrophobicContact CD1-CG1 4.22Å; I551-V575 HydrophobicContact CG1-CG1 4.45Å; F571-V575 WeakPolarHBondContact O-CG2 3.4Å; F571-V575 PolarHBondContact O-N 3.48Å; F571-V575 VanDerWaalsContact O-N 3.13Å; I572-V575 PolarHBondContact O-N 3.48Å; V575-T579 WeakPolarHBondContact O-CB 3.28Å; V575-T579 PolarHBondContact O-N 3.47Å; V575-T579 PolarHBondContact O-OG1 3.42Å; V575-M603 HydrophobicContact CG1-SD 4.03Å |
| 576 | F | 81.9 | Confident | 77.2 | Confident | 13 Ų | 13 | 57.4 Ų | 57.4 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -51.5 | 178.9 | 179.4 | -93.8 | 0 | 0 | 0 | 111.6 | I572 K574 V578 T579 M580 M600 M603 L611 E614 V618 | I572-F576 WeakPolarHBondContact O-CB 3.45Å; I572-F576 PolarHBondContact O-N 3.45Å; K574-F576 VanDerWaalsContact C-N 3.34Å; K574-F576 PolarHBondContact O-N 3.15Å; F576-V578 VanDerWaalsContact C-N 3.35Å; F576-V578 PolarHBondContact O-N 2.93Å; F576-T579 PolarHBondContact O-N 3.4Å; F576-M580 HydrophobicContact CE1-CB 4.28Å; F576-M580 HydrophobicContact CE1-CG 4.35Å; F576-M580 HydrophobicContact CZ-CB 4.43Å; F576-M580 HydrophobicContact CZ-CE 4.39Å; F576-M580 HydrophobicContact CZ-CG 4.35Å; F576-M580 WeakPolarHBondContact O-CB 3.49Å; F576-M580 PolarHBondContact O-N 3.48Å; F576-M600 HydrophobicContact CD2-CE 4.45Å; F576-M600 HydrophobicContact CD2-SD 4.44Å; F576-M600 HydrophobicContact CE2-CE 4.29Å; F576-M600 HydrophobicContact CE2-SD 4.19Å; F576-M603 HydrophobicContact CB-CE 4.09Å; F576-M603 HydrophobicContact CB-SD 3.97Å; F576-M603 HydrophobicContact CD2-CE 3.32Å; F576-M603 HydrophobicContact CD2-SD 4.16Å; F576-M603 HydrophobicContact CE2-CE 4.1Å; F576-M603 HydrophobicContact CG-CE 4.13Å; F576-L611 HydrophobicContact CD2-CD1 3.79Å; F576-L611 HydrophobicContact CD2-CD2 3.78Å; F576-L611 HydrophobicContact CD2-CG 4.01Å; F576-L611 HydrophobicContact CE2-CD1 4.33Å; F576-L611 HydrophobicContact CE2-CD2 3.62Å; F576-L611 HydrophobicContact CE2-CG 4.03Å; F576-L611 HydrophobicContact CG-CD1 4.37Å; F576-E614 VanDerWaalsContact CD1-OE2 3.25Å; F576-E614 WeakPolarHBondContact CD1-OE2 3.41Å; F576-E614 HydrophobicContact CE1-CB 4.04Å; F576-E614 VanDerWaalsContact CE1-CD 3.45Å; F576-E614 HydrophobicContact CE1-CG 4.26Å; F576-E614 WeakPolarHBondContact CE1-OE2 3.5Å; F576-E614 HydrophobicContact CE2-CB 4.3Å; F576-E614 HydrophobicContact CZ-CB 3.66Å; F576-E614 HydrophobicContact CZ-CG 4.37Å; F576-V618 HydrophobicContact CE2-CG2 3.69Å; F576-V618 HydrophobicContact CZ-CG2 3.88Å |
| 577 | S | 82.8 | Confident | 78 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.6 | -44.6 | -176.7 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | Q573 K574 K581 | Q573-S577 WeakPolarHBondContact O-CB 3.26Å; Q573-S577 PolarHBondContact O-N 3.33Å; Q573-S577 PolarHBondContact O-OG 3.01Å; K574-S577 PolarHBondContact O-N 2.87Å; K574-S577 PolarHBondContact O-OG 3.23Å; S577-K581 WeakPolarHBondContact O-CG 3.49Å; S577-K581 PolarHBondContact O-N 2.88Å; S577-K581 VanDerWaalsContact O-N 3.11Å |
| 578 | V | 81.6 | Confident | 78.8 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.1 | -45.3 | -178.6 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L529 V532 E533 K574 F576 M580 K581 R582 | L529-V578 HydrophobicContact CD2-CB 4.12Å; L529-V578 HydrophobicContact CD2-CG1 4.28Å; L529-V578 HydrophobicContact CD2-CG2 4.22Å; V532-V578 HydrophobicContact CB-CG1 3.74Å; V532-V578 HydrophobicContact CG1-CG1 3.47Å; V532-V578 VanDerWaalsContact CG1-CG1 3.47Å; E533-V578 HydrophobicContact CG-CG1 3.93Å; E533-V578 HydrophobicContact CG-CG2 4.49Å; K574-V578 WeakPolarHBondContact O-CG2 3.47Å; K574-V578 PolarHBondContact O-N 2.94Å; F576-V578 VanDerWaalsContact C-N 3.35Å; F576-V578 PolarHBondContact O-N 2.93Å; V578-M580 VanDerWaalsContact C-N 3.3Å; V578-M580 PolarHBondContact O-N 3.49Å; V578-K581 PolarHBondContact O-N 3.02Å; V578-R582 PolarHBondContact O-N 3.34Å |
| 579 | T | 83.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 178.1 | -48.6 | 0 | 0 | 0 | 0 | 111 | L544 V575 F576 R582 L583 C599 M600 | L544-T579 HydrophobicContact CD2-CG2 4.37Å; V575-T579 WeakPolarHBondContact O-CB 3.28Å; V575-T579 PolarHBondContact O-N 3.47Å; V575-T579 PolarHBondContact O-OG1 3.42Å; F576-T579 PolarHBondContact O-N 3.4Å; T579-R582 PolarHBondContact O-N 2.73Å; T579-L583 WeakPolarHBondContact O-CB 3.41Å; T579-L583 PolarHBondContact O-N 3.29Å; T579-C599 HydrophobicContact CG2-CB 4.31Å; T579-M600 HydrophobicContact CG2-CB 4.16Å; T579-M600 HydrophobicContact CG2-CE 3.81Å |
| 580 | M | 84 | Confident | 80.7 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 11% | 0.108 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 178.4 | -172.3 | 57.5 | 146.9 | 0 | 0 | 112.5 | F576 V578 R582 L583 K584 M600 V618 I621 | F576-M580 HydrophobicContact CE1-CB 4.28Å; F576-M580 HydrophobicContact CE1-CG 4.35Å; F576-M580 HydrophobicContact CZ-CB 4.43Å; F576-M580 HydrophobicContact CZ-CE 4.39Å; F576-M580 HydrophobicContact CZ-CG 4.35Å; F576-M580 WeakPolarHBondContact O-CB 3.49Å; F576-M580 PolarHBondContact O-N 3.48Å; V578-M580 VanDerWaalsContact C-N 3.3Å; V578-M580 PolarHBondContact O-N 3.49Å; M580-R582 VanDerWaalsContact C-N 3.33Å; M580-R582 PolarHBondContact O-N 3.07Å; M580-L583 PolarHBondContact O-N 2.9Å; M580-L583 HydrophobicContact SD-CD2 4.31Å; M580-K584 HydrophobicContact CG-CD 4.49Å; M580-K584 WeakPolarHBondContact O-CG 3.45Å; M580-K584 PolarHBondContact O-N 3.21Å; M580-K584 VanDerWaalsContact O-N 3.09Å; M580-K584 HydrophobicContact SD-CG 4.3Å; M580-M600 HydrophobicContact CB-CE 4.19Å; M580-M600 HydrophobicContact SD-CE 4.34Å; M580-V618 HydrophobicContact CE-CG2 3.83Å; M580-V618 HydrophobicContact SD-CG2 4.2Å; M580-I621 HydrophobicContact CE-CD1 3.48Å; M580-I621 VanDerWaalsContact CE-CD1 3.48Å; M580-I621 HydrophobicContact SD-CD1 3.81Å |
| 581 | K | 84.8 | Confident | 81.3 | Confident | 126 Ų | 126 | 60.7 Ų | 60.7 | 55% | 0.548 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57 | -46.3 | 172.7 | -72.9 | 176.4 | -168.5 | 174.4 | 0 | 111.2 | E533 S577 V578 A585 | E533-K581 IonicContact OE1-NZ 2.79Å; E533-K581 PolarHBondContact OE1-NZ 3.25Å; S577-K581 WeakPolarHBondContact O-CG 3.49Å; S577-K581 PolarHBondContact O-N 2.88Å; S577-K581 VanDerWaalsContact O-N 3.11Å; V578-K581 PolarHBondContact O-N 3.02Å; K581-A585 PolarHBondContact O-N 3.33Å |
| 582 | R | 82.7 | Confident | 82.1 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.7 | -34.6 | -180 | -65.1 | -57 | -171.3 | -179.8 | 5.6 | 113.2 | V532 E533 D534 V578 T579 M580 A596 | V532-R582 HydrophobicContact CG1-CG 4.03Å; V532-R582 VanDerWaalsContact O-CZ 3.25Å; V532-R582 PolarHBondContact O-NE 3.11Å; V532-R582 PolarHBondContact O-NH2 3.47Å; E533-R582 VanDerWaalsContact CA-NH2 3.32Å; E533-R582 PolarHBondContact O-NH2 3.33Å; D534-R582 PolarHBondContact O-NH2 3.21Å; V578-R582 PolarHBondContact O-N 3.34Å; T579-R582 PolarHBondContact O-N 2.73Å; M580-R582 VanDerWaalsContact C-N 3.33Å; M580-R582 PolarHBondContact O-N 3.07Å; R582-A596 HydrophobicContact CB-CB 4.44Å |
| 583 | L | 83 | Confident | 82.6 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 177.9 | -173.8 | 68.4 | 0 | 0 | 0 | 112.9 | T579 M580 I597 M600 I621 R625 | T579-L583 WeakPolarHBondContact O-CB 3.41Å; T579-L583 PolarHBondContact O-N 3.29Å; M580-L583 PolarHBondContact O-N 2.9Å; M580-L583 HydrophobicContact SD-CD2 4.31Å; L583-I597 HydrophobicContact CD1-CB 4.49Å; L583-I597 HydrophobicContact CD1-CG1 3.64Å; L583-M600 HydrophobicContact CD2-CB 4.24Å; L583-M600 HydrophobicContact CD2-CE 4.14Å; L583-M600 HydrophobicContact CD2-CG 3.85Å; L583-I621 HydrophobicContact CD1-CG2 4.5Å; L583-I621 HydrophobicContact CD2-CB 4.48Å; L583-I621 HydrophobicContact CD2-CG2 3.96Å; L583-I621 HydrophobicContact CG-CG2 3.87Å; L583-R625 PolarHBondContact O-NH2 3.4Å |
| 584 | K | 84.1 | Confident | 83.1 | Confident | 129 Ų | 129 | 56.4 Ų | 56.4 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -71.9 | -33.8 | 179.2 | -74.8 | -175.1 | -178.8 | -177.8 | 0 | 113 | M580 T586 I621 R625 | M580-K584 HydrophobicContact CG-CD 4.49Å; M580-K584 WeakPolarHBondContact O-CG 3.45Å; M580-K584 PolarHBondContact O-N 3.21Å; M580-K584 VanDerWaalsContact O-N 3.09Å; M580-K584 HydrophobicContact SD-CG 4.3Å; K584-T586 PolarHBondContact O-N 3.03Å; K584-I621 HydrophobicContact CG-CD1 3.92Å; K584-R625 PolarHBondContact O-NH2 3.09Å |
| 585 | A | 82.3 | Confident | 83.6 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | trans | -60.7 | 131.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K581 I588 | K581-A585 PolarHBondContact O-N 3.33Å; A585-I588 HydrophobicContact CB-CD1 3.4Å; A585-I588 VanDerWaalsContact CB-CD1 3.4Å; A585-I588 HydrophobicContact CB-CG1 3.79Å | ||
| 586 | T | 75.1 | Confident | 83.9 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -93.6 | -23.6 | 179.3 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | K584 I588 K593 | K584-T586 PolarHBondContact O-N 3.03Å; T586-I588 VanDerWaalsContact C-N 3.34Å; T586-I588 PolarHBondContact O-N 3.48Å; T586-K593 WeakPolarHBondContact O-CE 3.44Å; T586-K593 PolarHBondContact O-NZ 2.91Å |
| 587 | D | 77.1 | Confident | 84.2 | Confident | 156 Ų | 156 | 52.5 Ų | 52.5 | 83% | 0.834 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -98.7 | 24.9 | -166.5 | -53.5 | -16.5 | 0 | 0 | 0 | 112.9 | ||
| 588 | I | 82.3 | Confident | 84.4 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -104.9 | 154.9 | 179.4 | -47.3 | -178.4 | 0 | 0 | 0 | 110.1 | A585 T586 V592 K593 | A585-I588 HydrophobicContact CB-CD1 3.4Å; A585-I588 VanDerWaalsContact CB-CD1 3.4Å; A585-I588 HydrophobicContact CB-CG1 3.79Å; T586-I588 VanDerWaalsContact C-N 3.34Å; T586-I588 PolarHBondContact O-N 3.48Å; I588-V592 HydrophobicContact CG2-CB 3.6Å; I588-V592 HydrophobicContact CG2-CG1 3.72Å; I588-V592 HydrophobicContact CG2-CG2 3.98Å; I588-K593 WeakPolarHBondContact O-CE 3.42Å; I588-K593 PolarHBondContact O-NZ 3.46Å |
| 589 | D | 86.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | trans | -47.7 | 150.1 | 170.5 | -166.2 | -89.1 | 0 | 0 | 0 | 113.5 | Y537 E591 V592 K593 | Y537-D589 HydrophobicContact CD2-CB 3.92Å; Y537-D589 HydrophobicContact CG-CB 4.03Å; D589-E591 VanDerWaalsContact C-N 3.32Å; D589-E591 PolarHBondContact O-N 3.44Å; D589-E591 WeakPolarHBondContact OD1-CB 3.34Å; D589-E591 PolarHBondContact OD1-N 3.46Å; D589-V592 PolarHBondContact O-N 3.39Å; D589-K593 PolarHBondContact O-N 2.92Å | ||
| 590 | Q | 85.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 178.7 | 170.4 | 176.3 | -8.4 | 0 | 0 | 112.2 | V592 K593 E594 I630 | Q590-V592 PolarHBondContact O-N 3.5Å; Q590-K593 WeakPolarHBondContact O-CB 3.44Å; Q590-K593 PolarHBondContact O-N 3.19Å; Q590-E594 HydrophobicContact CG-CG 4.43Å; Q590-E594 WeakPolarHBondContact CG-OE1 3.44Å; Q590-E594 PolarHBondContact NE2-OE1 3.26Å; Q590-E594 PolarHBondContact O-N 2.86Å; Q590-I630 HydrophobicContact CB-CG2 4.21Å; Q590-I630 HydrophobicContact CG-CG2 3.41Å; Q590-I630 VanDerWaalsContact CG-CG2 3.41Å |
| 591 | E | 86.8 | Confident | 84.9 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -46.1 | -175.9 | -176 | 173.2 | -166.2 | 0 | 0 | 110.9 | D589 K593 E594 R595 | D589-E591 VanDerWaalsContact C-N 3.32Å; D589-E591 PolarHBondContact O-N 3.44Å; D589-E591 WeakPolarHBondContact OD1-CB 3.34Å; D589-E591 PolarHBondContact OD1-N 3.46Å; E591-K593 VanDerWaalsContact C-N 3.32Å; E591-K593 PolarHBondContact O-N 3.25Å; E591-E594 PolarHBondContact O-N 3.12Å; E591-R595 VanDerWaalsContact O-CG 3.25Å; E591-R595 WeakPolarHBondContact O-CG 3.34Å; E591-R595 PolarHBondContact O-N 2.64Å; E591-R595 IonicContact OE1-CZ 3.87Å; E591-R595 IonicContact OE1-NH1 3.66Å; E591-R595 IonicContact OE1-NH2 2.75Å; E591-R595 PolarHBondContact OE1-NH2 2.69Å |
| 592 | V | 87.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | Y537 T540 L544 I588 D589 Q590 R595 A596 | Y537-V592 WeakPolarHBondContact O-CG2 3.4Å; T540-V592 HydrophobicContact CG2-CG1 3.65Å; T540-V592 HydrophobicContact CG2-CG2 4.32Å; L544-V592 HydrophobicContact CD1-CG1 3.83Å; I588-V592 HydrophobicContact CG2-CB 3.6Å; I588-V592 HydrophobicContact CG2-CG1 3.72Å; I588-V592 HydrophobicContact CG2-CG2 3.98Å; D589-V592 PolarHBondContact O-N 3.39Å; Q590-V592 PolarHBondContact O-N 3.5Å; V592-R595 PolarHBondContact O-N 3.38Å; V592-A596 WeakPolarHBondContact O-CB 3.4Å; V592-A596 PolarHBondContact O-N 3.39Å |
| 593 | K | 86.8 | Confident | 84.9 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.8 | -74.8 | 168.7 | 174.5 | 153.2 | 0 | 111.5 | T586 I588 D589 Q590 E591 A596 I597 T631 | T586-K593 WeakPolarHBondContact O-CE 3.44Å; T586-K593 PolarHBondContact O-NZ 2.91Å; I588-K593 WeakPolarHBondContact O-CE 3.42Å; I588-K593 PolarHBondContact O-NZ 3.46Å; D589-K593 PolarHBondContact O-N 2.92Å; Q590-K593 WeakPolarHBondContact O-CB 3.44Å; Q590-K593 PolarHBondContact O-N 3.19Å; E591-K593 VanDerWaalsContact C-N 3.32Å; E591-K593 PolarHBondContact O-N 3.25Å; K593-A596 PolarHBondContact O-N 3.35Å; K593-I597 WeakPolarHBondContact O-CD1 3.43Å; K593-I597 WeakPolarHBondContact O-CG1 3.37Å; K593-I597 PolarHBondContact O-N 3.17Å; K593-T631 HydrophobicContact CB-CG2 4.31Å |
| 594 | E | 87.4 | Confident | 84.9 | Confident | 57 Ų | 57 | 42 Ų | 42 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -45.4 | 178.3 | -69.9 | -179.1 | -167.7 | 0 | 0 | 111.7 | Q590 E591 A596 I597 S598 T634 | Q590-E594 HydrophobicContact CG-CG 4.43Å; Q590-E594 WeakPolarHBondContact CG-OE1 3.44Å; Q590-E594 PolarHBondContact NE2-OE1 3.26Å; Q590-E594 PolarHBondContact O-N 2.86Å; E591-E594 PolarHBondContact O-N 3.12Å; E594-A596 VanDerWaalsContact C-N 3.34Å; E594-A596 PolarHBondContact O-N 2.84Å; E594-I597 PolarHBondContact O-N 2.81Å; E594-S598 PolarHBondContact O-N 2.91Å; E594-T634 HydrophobicContact CB-CG2 4.18Å; E594-T634 WeakPolarHBondContact O-CG2 3.4Å |
| 595 | R | 87.6 | Confident | 84.8 | Confident | 59 Ų | 59 | 36 Ų | 36 | 22% | 0.223 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.8 | -62.6 | -69.9 | 176.8 | 73.8 | 10.2 | 111.9 | S541 E542 L544 E591 V592 S598 C599 | S541-R595 PolarHBondContact O-NH1 3.42Å; E542-R595 IonicContact OE1-CZ 2.97Å; E542-R595 IonicContact OE1-NH1 3.98Å; E542-R595 PolarHBondContact OE1-NH1 3.49Å; E542-R595 IonicContact OE1-NH2 3.63Å; L544-R595 HydrophobicContact CB-CB 3.96Å; L544-R595 HydrophobicContact CD1-CB 4.15Å; E591-R595 VanDerWaalsContact O-CG 3.25Å; E591-R595 WeakPolarHBondContact O-CG 3.34Å; E591-R595 PolarHBondContact O-N 2.64Å; E591-R595 IonicContact OE1-CZ 3.87Å; E591-R595 IonicContact OE1-NH1 3.66Å; E591-R595 IonicContact OE1-NH2 2.75Å; E591-R595 PolarHBondContact OE1-NH2 2.69Å; V592-R595 PolarHBondContact O-N 3.38Å; R595-S598 PolarHBondContact O-N 3.1Å; R595-C599 VanDerWaalsContact O-CB 3.24Å; R595-C599 WeakPolarHBondContact O-CB 3.38Å; R595-C599 PolarHBondContact O-N 3.02Å |
| 596 | A | 88.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L544 R582 V592 K593 E594 M600 | L544-A596 HydrophobicContact CD1-CB 4Å; R582-A596 HydrophobicContact CB-CB 4.44Å; V592-A596 WeakPolarHBondContact O-CB 3.4Å; V592-A596 PolarHBondContact O-N 3.39Å; K593-A596 PolarHBondContact O-N 3.35Å; E594-A596 VanDerWaalsContact C-N 3.34Å; E594-A596 PolarHBondContact O-N 2.84Å; A596-M600 VanDerWaalsContact O-CB 3.27Å; A596-M600 WeakPolarHBondContact O-CB 3.46Å; A596-M600 PolarHBondContact O-N 2.95Å |
| 597 | I | 88.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.2 | -70.2 | 165.6 | 0 | 0 | 0 | 110.7 | L583 K593 E594 G601 F622 R625 T631 T634 T638 | L583-I597 HydrophobicContact CD1-CB 4.49Å; L583-I597 HydrophobicContact CD1-CG1 3.64Å; K593-I597 WeakPolarHBondContact O-CD1 3.43Å; K593-I597 WeakPolarHBondContact O-CG1 3.37Å; K593-I597 PolarHBondContact O-N 3.17Å; E594-I597 PolarHBondContact O-N 2.81Å; I597-G601 PolarHBondContact O-N 2.88Å; I597-F622 HydrophobicContact CB-CE1 4.43Å; I597-F622 HydrophobicContact CG2-CD1 4.19Å; I597-F622 HydrophobicContact CG2-CE1 3.87Å; I597-R625 HydrophobicContact CD1-CB 4.02Å; I597-R625 HydrophobicContact CD1-CG 4.08Å; I597-R625 HydrophobicContact CG1-CG 4.48Å; I597-T631 HydrophobicContact CD1-CG2 3.75Å; I597-T634 HydrophobicContact CB-CG2 4.2Å; I597-T634 HydrophobicContact CG2-CG2 3.94Å; I597-T638 PolarHBondContact O-OG1 2.84Å |
| 598 | S | 87.5 | Confident | 83.9 | Confident | 28 Ų | 28 | 23.7 Ų | 23.7 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68 | -47.1 | 177.6 | -168.8 | 0 | 0 | 0 | 0 | 112 | Q548 E594 R595 G601 H602 | Q548-S598 PolarHBondContact NE2-OG 2.71Å; E594-S598 PolarHBondContact O-N 2.91Å; R595-S598 PolarHBondContact O-N 3.1Å; S598-G601 WeakPolarHBondContact O-CA 3.09Å; S598-G601 PolarHBondContact O-N 3.39Å; S598-G601 VanDerWaalsContact O-N 3.09Å; S598-H602 PolarHBondContact O-CD2 3.03Å; S598-H602 VanDerWaalsContact O-CD2 3.3Å; S598-H602 PolarHBondContact O-N 3.13Å |
| 599 | C | 87.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.1 | -48 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | L544 Q548 T579 R595 G601 H602 M603 | L544-C599 HydrophobicContact CD2-CB 4.36Å; Q548-C599 HydrophobicContact CB-CB 4.21Å; T579-C599 HydrophobicContact CG2-CB 4.31Å; R595-C599 VanDerWaalsContact O-CB 3.24Å; R595-C599 WeakPolarHBondContact O-CB 3.38Å; R595-C599 PolarHBondContact O-N 3.02Å; C599-G601 VanDerWaalsContact C-N 3.27Å; C599-G601 PolarHBondContact O-N 3.28Å; C599-H602 PolarHBondContact O-N 3.37Å; C599-M603 PolarHBondContact O-N 3.14Å |
| 600 | M | 86.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -38.7 | 173.8 | -177.6 | 64.9 | 63.5 | 0 | 0 | 111.3 | F576 T579 M580 L583 A596 H602 M603 V604 V618 F622 | F576-M600 HydrophobicContact CD2-CE 4.45Å; F576-M600 HydrophobicContact CD2-SD 4.44Å; F576-M600 HydrophobicContact CE2-CE 4.29Å; F576-M600 HydrophobicContact CE2-SD 4.19Å; T579-M600 HydrophobicContact CG2-CB 4.16Å; T579-M600 HydrophobicContact CG2-CE 3.81Å; M580-M600 HydrophobicContact CB-CE 4.19Å; M580-M600 HydrophobicContact SD-CE 4.34Å; L583-M600 HydrophobicContact CD2-CB 4.24Å; L583-M600 HydrophobicContact CD2-CE 4.14Å; L583-M600 HydrophobicContact CD2-CG 3.85Å; A596-M600 VanDerWaalsContact O-CB 3.27Å; A596-M600 WeakPolarHBondContact O-CB 3.46Å; A596-M600 PolarHBondContact O-N 2.95Å; M600-H602 PolarHBondContact O-N 2.95Å; M600-M603 HydrophobicContact CE-CE 3.54Å; M600-M603 WeakPolarHBondContact O-CB 3.4Å; M600-M603 PolarHBondContact O-N 3.2Å; M600-M603 HydrophobicContact SD-CE 3.11Å; M600-M603 WeakPolarHBondContact SD-CE 3.34Å; M600-V604 WeakPolarHBondContact O-CG2 3.11Å; M600-V604 PolarHBondContact O-N 3.47Å; M600-V618 HydrophobicContact CE-CG2 4.49Å; M600-V618 HydrophobicContact CG-CG1 3.52Å; M600-V618 HydrophobicContact SD-CG1 3.76Å; M600-V618 HydrophobicContact SD-CG2 3.91Å; M600-F622 HydrophobicContact CB-CE1 4.43Å; M600-F622 HydrophobicContact CB-CZ 3.87Å; M600-F622 HydrophobicContact CG-CE1 4.37Å; M600-F622 HydrophobicContact CG-CE2 4.09Å; M600-F622 HydrophobicContact CG-CZ 3.54Å |
| 601 | G | 85.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -46 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I597 S598 C599 V604 C605 | I597-G601 PolarHBondContact O-N 2.88Å; S598-G601 WeakPolarHBondContact O-CA 3.09Å; S598-G601 PolarHBondContact O-N 3.39Å; S598-G601 VanDerWaalsContact O-N 3.09Å; C599-G601 VanDerWaalsContact C-N 3.27Å; C599-G601 PolarHBondContact O-N 3.28Å; G601-V604 PolarHBondContact O-N 2.88Å; G601-C605 VanDerWaalsContact O-CB 3.28Å; G601-C605 WeakPolarHBondContact O-CB 3.42Å; G601-C605 PolarHBondContact O-N 3.35Å |
| 602 | H | 84.3 | Confident | 80.6 | Confident | 22 Ų | 22 | 22.5 Ų | 22.5 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.7 | -38.1 | 174.5 | -81.9 | -80.5 | 0 | 0 | 0 | 112.4 | Q548 I551 K552 S598 C599 M600 V604 C605 H606 L641 | Q548-H602 VanDerWaalsContact CD-CD2 3.45Å; Q548-H602 HydrophobicContact CG-CB 4.02Å; Q548-H602 WeakPolarHBondContact CG-CD2 3.44Å; Q548-H602 PolarHBondContact NE2-CD2 2.96Å; Q548-H602 PolarHBondContact NE2-NE2 3.16Å; I551-H602 HydrophobicContact CG2-CB 4.43Å; K552-H602 WeakPolarHBondContact CE-CE1 3.28Å; K552-H602 WeakPolarHBondContact CE-ND1 3.32Å; S598-H602 PolarHBondContact O-CD2 3.03Å; S598-H602 VanDerWaalsContact O-CD2 3.3Å; S598-H602 PolarHBondContact O-N 3.13Å; C599-H602 PolarHBondContact O-N 3.37Å; M600-H602 PolarHBondContact O-N 2.95Å; H602-V604 PolarHBondContact O-N 3.43Å; H602-C605 PolarHBondContact O-N 3.48Å; H602-H606 AromaticContact ND1-NE2 3.86Å; H602-H606 PolarHBondContact O-CD2 3.17Å; H602-H606 VanDerWaalsContact O-CD2 3.24Å; H602-H606 PolarHBondContact O-N 2.79Å; H602-L641 WeakPolarHBondContact CE1-CD2 3.5Å; H602-L641 WeakPolarHBondContact NE2-CD2 3.41Å |
| 603 | M | 83.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.6 | -162.7 | 172.7 | 49.5 | 0 | 0 | 111.5 | I551 V575 F576 C599 M600 L607 | I551-M603 HydrophobicContact CD1-CB 3.86Å; I551-M603 HydrophobicContact CD1-CG 4.25Å; V575-M603 HydrophobicContact CG1-SD 4.03Å; F576-M603 HydrophobicContact CB-CE 4.09Å; F576-M603 HydrophobicContact CB-SD 3.97Å; F576-M603 HydrophobicContact CD2-CE 3.32Å; F576-M603 HydrophobicContact CD2-SD 4.16Å; F576-M603 HydrophobicContact CE2-CE 4.1Å; F576-M603 HydrophobicContact CG-CE 4.13Å; C599-M603 PolarHBondContact O-N 3.14Å; M600-M603 HydrophobicContact CE-CE 3.54Å; M600-M603 WeakPolarHBondContact O-CB 3.4Å; M600-M603 PolarHBondContact O-N 3.2Å; M600-M603 HydrophobicContact SD-CE 3.11Å; M600-M603 WeakPolarHBondContact SD-CE 3.34Å; M603-L607 HydrophobicContact CG-CD1 4.2Å; M603-L607 WeakPolarHBondContact O-CA 3.31Å; M603-L607 WeakPolarHBondContact O-CB 3.27Å; M603-L607 PolarHBondContact O-N 3.11Å |
| 604 | V | 82.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | M600 G601 H602 H606 G608 L611 L615 V618 I642 I649 | M600-V604 WeakPolarHBondContact O-CG2 3.11Å; M600-V604 PolarHBondContact O-N 3.47Å; G601-V604 PolarHBondContact O-N 2.88Å; H602-V604 PolarHBondContact O-N 3.43Å; V604-H606 PolarHBondContact O-N 3.44Å; V604-G608 VanDerWaalsContact O-CA 3.26Å; V604-G608 WeakPolarHBondContact O-CA 3.35Å; V604-G608 PolarHBondContact O-N 3.47Å; V604-L611 HydrophobicContact CG2-CD2 4.39Å; V604-L615 HydrophobicContact CG1-CD1 3.71Å; V604-L615 HydrophobicContact CG2-CD1 4.09Å; V604-V618 HydrophobicContact CG2-CG1 4.13Å; V604-I642 HydrophobicContact CB-CD1 4.24Å; V604-I642 HydrophobicContact CB-CG1 4.26Å; V604-I642 HydrophobicContact CG1-CD1 4.03Å; V604-I642 HydrophobicContact CG1-CG1 3.98Å; V604-I642 HydrophobicContact CG1-CG2 4.01Å; V604-I649 HydrophobicContact CG1-CD1 3.51Å; V604-I649 WeakPolarHBondContact O-CD1 3.26Å |
| 605 | C | 81.3 | Confident | 78.3 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | -178.1 | -176.6 | 0 | 0 | 0 | 0 | 114 | G601 H602 L641 S645 L647 | G601-C605 VanDerWaalsContact O-CB 3.28Å; G601-C605 WeakPolarHBondContact O-CB 3.42Å; G601-C605 PolarHBondContact O-N 3.35Å; H602-C605 PolarHBondContact O-N 3.48Å; C605-L641 HydrophobicContact CB-CD2 4.19Å; C605-L641 HydrophobicContact CB-CG 4.01Å; C605-L641 PolarHBondContact SG-O 3.02Å; C605-S645 PolarHBondContact O-OG 3.42Å; C605-L647 VanDerWaalsContact O-CD1 3.3Å; C605-L647 WeakPolarHBondContact O-CD1 3.26Å |
| 606 | H | 76 | Confident | 77.6 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -101.6 | -29.1 | -175.2 | -71.3 | -104.8 | 0 | 0 | 0 | 114.2 | I551 R555 Q557 H602 V604 | I551-H606 HydrophobicContact CG2-CB 4.02Å; R555-H606 WeakPolarHBondContact CD-O 3.24Å; R555-H606 PolarHBondContact NH1-O 3.25Å; R555-H606 PolarHBondContact O-CE1 2.99Å; R555-H606 PolarHBondContact O-ND1 3.45Å; Q557-H606 VanDerWaalsContact CG-CE1 3.47Å; Q557-H606 WeakPolarHBondContact CG-CE1 3.46Å; Q557-H606 PolarHBondContact NE2-NE2 3.27Å; H602-H606 AromaticContact ND1-NE2 3.86Å; H602-H606 PolarHBondContact O-CD2 3.17Å; H602-H606 VanDerWaalsContact O-CD2 3.24Å; H602-H606 PolarHBondContact O-N 2.79Å; V604-H606 PolarHBondContact O-N 3.44Å |
| 607 | L | 73.7 | Confident | 77.2 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -125.8 | 10.6 | -170 | -57.3 | 165 | 0 | 0 | 0 | 112.6 | I551 M554 P568 I572 M603 D609 H610 | I551-L607 HydrophobicContact CG2-CD1 4.04Å; M554-L607 HydrophobicContact CE-CD1 4.48Å; P568-L607 HydrophobicContact CB-CD2 4.34Å; I572-L607 HydrophobicContact CD1-CB 4.46Å; I572-L607 HydrophobicContact CD1-CD2 4.06Å; I572-L607 HydrophobicContact CG1-CD1 4.17Å; I572-L607 HydrophobicContact CG1-CD2 4.34Å; M603-L607 HydrophobicContact CG-CD1 4.2Å; M603-L607 WeakPolarHBondContact O-CA 3.31Å; M603-L607 WeakPolarHBondContact O-CB 3.27Å; M603-L607 PolarHBondContact O-N 3.11Å; L607-D609 PolarHBondContact O-N 3.46Å; L607-H610 PolarHBondContact O-N 2.92Å; L607-H610 VanDerWaalsContact O-N 3.09Å |
| 608 | G | 66.5 | Low | 76.8 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -60.2 | -26.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V604 H610 L611 | V604-G608 VanDerWaalsContact O-CA 3.26Å; V604-G608 WeakPolarHBondContact O-CA 3.35Å; V604-G608 PolarHBondContact O-N 3.47Å; G608-H610 PolarHBondContact O-N 3.16Å; G608-L611 PolarHBondContact O-N 3.34Å |
| 609 | D | 69.9 | Low | 76.5 | Confident | 82 Ų | 82 | 34.3 Ų | 34.3 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -62.4 | -23.9 | 174.9 | 27.5 | -7.1 | 0 | 0 | 0 | 113.3 | R555 L607 L647 | R555-D609 IonicContact CZ-OD2 3.13Å; R555-D609 VanDerWaalsContact NH1-CG 3.26Å; R555-D609 IonicContact NH1-OD1 2.74Å; R555-D609 PolarHBondContact NH1-OD1 3.34Å; R555-D609 IonicContact NH1-OD2 2.89Å; R555-D609 PolarHBondContact NH1-OD2 2.79Å; R555-D609 IonicContact NH2-OD2 2.79Å; R555-D609 PolarHBondContact NH2-OD2 2.62Å; R555-D609 VanDerWaalsContact NH2-OD2 3.13Å; L607-D609 PolarHBondContact O-N 3.46Å; D609-L647 VanDerWaalsContact OD1-CD1 3.24Å; D609-L647 WeakPolarHBondContact OD1-CD1 3.26Å |
| 610 | H | 68.1 | Low | 76.3 | Confident | 95 Ų | 95 | 35.8 Ų | 35.8 | 44% | 0.44 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -99.2 | -4.9 | 177.5 | -64 | 130.4 | 0 | 0 | 0 | 114.2 | I572 L607 G608 | I572-H610 HydrophobicContact CD1-CB 3.9Å; L607-H610 PolarHBondContact O-N 2.92Å; L607-H610 VanDerWaalsContact O-N 3.09Å; G608-H610 PolarHBondContact O-N 3.16Å |
| 611 | L | 66.4 | Low | 76.2 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -91.3 | -10.5 | -172.5 | -127.1 | 68.2 | 0 | 0 | 0 | 114.2 | I572 F576 V604 G608 T613 E614 L615 | I572-L611 HydrophobicContact CG2-CD1 3.87Å; F576-L611 HydrophobicContact CD2-CD1 3.79Å; F576-L611 HydrophobicContact CD2-CD2 3.78Å; F576-L611 HydrophobicContact CD2-CG 4.01Å; F576-L611 HydrophobicContact CE2-CD1 4.33Å; F576-L611 HydrophobicContact CE2-CD2 3.62Å; F576-L611 HydrophobicContact CE2-CG 4.03Å; F576-L611 HydrophobicContact CG-CD1 4.37Å; V604-L611 HydrophobicContact CG2-CD2 4.39Å; G608-L611 PolarHBondContact O-N 3.34Å; L611-T613 PolarHBondContact O-N 3.14Å; L611-E614 PolarHBondContact O-N 3.42Å; L611-L615 HydrophobicContact CB-CB 4.49Å | ||
| 612 | G | 66.6 | Low | 76.2 | Confident | 57 Ų | 57 | 37 Ų | 37 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 42.1 | -104.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 613 | T | 65.4 | Low | 76.1 | Confident | 129 Ų | 129 | 36.8 Ų | 36.8 | 79% | 0.791 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -25.7 | -175.8 | 49.3 | 0 | 0 | 0 | 0 | 114 | L611 L615 | L611-T613 PolarHBondContact O-N 3.14Å; T613-L615 VanDerWaalsContact C-N 3.28Å; T613-L615 PolarHBondContact O-N 3.05Å |
| 614 | E | 72.1 | Confident | 76.2 | Confident | 93 Ų | 93 | 41.3 Ų | 41.3 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.4 | -22.3 | -177.8 | -59.6 | -174.9 | 144.5 | 0 | 0 | 112.1 | F576 L611 Q616 G617 V618 | F576-E614 VanDerWaalsContact CD1-OE2 3.25Å; F576-E614 WeakPolarHBondContact CD1-OE2 3.41Å; F576-E614 HydrophobicContact CE1-CB 4.04Å; F576-E614 VanDerWaalsContact CE1-CD 3.45Å; F576-E614 HydrophobicContact CE1-CG 4.26Å; F576-E614 WeakPolarHBondContact CE1-OE2 3.5Å; F576-E614 HydrophobicContact CE2-CB 4.3Å; F576-E614 HydrophobicContact CZ-CB 3.66Å; F576-E614 HydrophobicContact CZ-CG 4.37Å; L611-E614 PolarHBondContact O-N 3.42Å; E614-Q616 PolarHBondContact O-N 3.39Å; E614-G617 PolarHBondContact O-N 2.93Å; E614-V618 PolarHBondContact O-N 3.35Å; E614-V618 VanDerWaalsContact O-N 3.16Å |
| 615 | L | 75.9 | Confident | 76.3 | Confident | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 176.9 | 178.9 | 65.4 | 0 | 0 | 0 | 112 | V604 L611 T613 G617 V618 L619 I649 | V604-L615 HydrophobicContact CG1-CD1 3.71Å; V604-L615 HydrophobicContact CG2-CD1 4.09Å; L611-L615 HydrophobicContact CB-CB 4.49Å; T613-L615 VanDerWaalsContact C-N 3.28Å; T613-L615 PolarHBondContact O-N 3.05Å; L615-G617 VanDerWaalsContact C-N 3.27Å; L615-G617 PolarHBondContact O-N 3.47Å; L615-V618 PolarHBondContact O-N 2.72Å; L615-V618 VanDerWaalsContact O-N 3.14Å; L615-L619 HydrophobicContact CD1-CD1 4.25Å; L615-L619 HydrophobicContact CD1-CD2 4.42Å; L615-L619 HydrophobicContact CD1-CG 4.07Å; L615-L619 HydrophobicContact CD2-CD1 4.5Å; L615-L619 HydrophobicContact CG-CD1 3.96Å; L615-L619 HydrophobicContact CG-CG 4.17Å; L615-L619 VanDerWaalsContact O-CB 3.27Å; L615-L619 WeakPolarHBondContact O-CB 3.27Å; L615-L619 VanDerWaalsContact O-CG 3.22Å; L615-L619 WeakPolarHBondContact O-CG 3.36Å; L615-L619 PolarHBondContact O-N 2.97Å; L615-I649 HydrophobicContact CD1-CG2 4.22Å; L615-I649 HydrophobicContact CD2-CG2 3.52Å; L615-I649 HydrophobicContact CG-CG2 4.42Å |
| 616 | Q | 74.6 | Confident | 76.5 | Confident | 148 Ų | 148 | 42.9 Ų | 42.9 | 69% | 0.692 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.6 | -35.9 | -179 | -69.5 | -173.6 | -9.6 | 0 | 0 | 112.3 | E614 G620 | E614-Q616 PolarHBondContact O-N 3.39Å; Q616-G620 PolarHBondContact O-N 3.17Å; Q616-G620 VanDerWaalsContact O-N 3.1Å |
| 617 | G | 79 | Confident | 76.9 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E614 L615 I621 | E614-G617 PolarHBondContact O-N 2.93Å; L615-G617 VanDerWaalsContact C-N 3.27Å; L615-G617 PolarHBondContact O-N 3.47Å; G617-I621 WeakPolarHBondContact O-CG1 3.48Å; G617-I621 PolarHBondContact O-N 2.85Å |
| 618 | V | 81.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | F576 M580 M600 V604 E614 L615 G620 I621 F622 | F576-V618 HydrophobicContact CE2-CG2 3.69Å; F576-V618 HydrophobicContact CZ-CG2 3.88Å; M580-V618 HydrophobicContact CE-CG2 3.83Å; M580-V618 HydrophobicContact SD-CG2 4.2Å; M600-V618 HydrophobicContact CE-CG2 4.49Å; M600-V618 HydrophobicContact CG-CG1 3.52Å; M600-V618 HydrophobicContact SD-CG1 3.76Å; M600-V618 HydrophobicContact SD-CG2 3.91Å; V604-V618 HydrophobicContact CG2-CG1 4.13Å; E614-V618 PolarHBondContact O-N 3.35Å; E614-V618 VanDerWaalsContact O-N 3.16Å; L615-V618 PolarHBondContact O-N 2.72Å; L615-V618 VanDerWaalsContact O-N 3.14Å; V618-G620 PolarHBondContact O-N 2.88Å; V618-I621 PolarHBondContact O-N 2.96Å; V618-I621 VanDerWaalsContact O-N 3.14Å; V618-F622 HydrophobicContact CG1-CD2 3.86Å; V618-F622 HydrophobicContact CG1-CE2 3.41Å; V618-F622 VanDerWaalsContact CG1-CE2 3.41Å; V618-F622 HydrophobicContact CG1-CZ 4.08Å; V618-F622 WeakPolarHBondContact O-CD2 3.27Å; V618-F622 PolarHBondContact O-N 2.63Å |
| 619 | L | 80.4 | Confident | 78.1 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.4 | -80 | -168.7 | 0 | 0 | 0 | 112 | L615 I621 F622 L623 M651 I654 | L615-L619 HydrophobicContact CD1-CD1 4.25Å; L615-L619 HydrophobicContact CD1-CD2 4.42Å; L615-L619 HydrophobicContact CD1-CG 4.07Å; L615-L619 HydrophobicContact CD2-CD1 4.5Å; L615-L619 HydrophobicContact CG-CD1 3.96Å; L615-L619 HydrophobicContact CG-CG 4.17Å; L615-L619 VanDerWaalsContact O-CB 3.27Å; L615-L619 WeakPolarHBondContact O-CB 3.27Å; L615-L619 VanDerWaalsContact O-CG 3.22Å; L615-L619 WeakPolarHBondContact O-CG 3.36Å; L615-L619 PolarHBondContact O-N 2.97Å; L619-I621 VanDerWaalsContact C-N 3.34Å; L619-I621 PolarHBondContact O-N 2.93Å; L619-F622 HydrophobicContact CD2-CD2 4.33Å; L619-F622 PolarHBondContact O-N 3.35Å; L619-L623 PolarHBondContact O-N 3.36Å; L619-M651 HydrophobicContact CD1-SD 3.66Å; L619-M651 HydrophobicContact CD2-CE 3.67Å; L619-M651 HydrophobicContact CD2-SD 3.37Å; L619-M651 WeakPolarHBondContact CD2-SD 3.36Å; L619-M651 HydrophobicContact CG-SD 4.16Å; L619-I654 HydrophobicContact CB-CD1 3.28Å; L619-I654 HydrophobicContact CB-CG1 4Å; L619-I654 HydrophobicContact CD1-CD1 3.97Å; L619-I654 HydrophobicContact CD2-CD1 3.66Å; L619-I654 HydrophobicContact CG-CD1 3.76Å; L619-I654 WeakPolarHBondContact O-CD1 3.32Å |
| 620 | G | 82.7 | Confident | 78.7 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 32% | 0.32 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q616 V618 F622 L623 D624 | Q616-G620 PolarHBondContact O-N 3.17Å; Q616-G620 VanDerWaalsContact O-N 3.1Å; V618-G620 PolarHBondContact O-N 2.88Å; G620-F622 PolarHBondContact O-N 3.26Å; G620-L623 WeakPolarHBondContact O-CB 3.47Å; G620-L623 PolarHBondContact O-N 3.28Å; G620-D624 PolarHBondContact O-N 3.37Å |
| 621 | I | 84.4 | Confident | 79.5 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 178.4 | -62.9 | 165 | 0 | 0 | 0 | 111.5 | M580 L583 K584 G617 V618 L619 L623 D624 R625 | M580-I621 HydrophobicContact CE-CD1 3.48Å; M580-I621 VanDerWaalsContact CE-CD1 3.48Å; M580-I621 HydrophobicContact SD-CD1 3.81Å; L583-I621 HydrophobicContact CD1-CG2 4.5Å; L583-I621 HydrophobicContact CD2-CB 4.48Å; L583-I621 HydrophobicContact CD2-CG2 3.96Å; L583-I621 HydrophobicContact CG-CG2 3.87Å; K584-I621 HydrophobicContact CG-CD1 3.92Å; G617-I621 WeakPolarHBondContact O-CG1 3.48Å; G617-I621 PolarHBondContact O-N 2.85Å; V618-I621 PolarHBondContact O-N 2.96Å; V618-I621 VanDerWaalsContact O-N 3.14Å; L619-I621 VanDerWaalsContact C-N 3.34Å; L619-I621 PolarHBondContact O-N 2.93Å; I621-L623 VanDerWaalsContact C-N 3.26Å; I621-L623 PolarHBondContact O-N 2.82Å; I621-D624 PolarHBondContact O-N 3.06Å; I621-R625 HydrophobicContact CG2-CG 4.21Å; I621-R625 VanDerWaalsContact O-CG 3.31Å; I621-R625 WeakPolarHBondContact O-CG 3.41Å; I621-R625 PolarHBondContact O-N 3.25Å |
| 622 | F | 84.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -35.4 | 175.7 | -75.9 | -48.9 | 0 | 0 | 0 | 112.5 | I597 M600 V618 L619 G620 R625 L626 T638 I642 | I597-F622 HydrophobicContact CB-CE1 4.43Å; I597-F622 HydrophobicContact CG2-CD1 4.19Å; I597-F622 HydrophobicContact CG2-CE1 3.87Å; M600-F622 HydrophobicContact CB-CE1 4.43Å; M600-F622 HydrophobicContact CB-CZ 3.87Å; M600-F622 HydrophobicContact CG-CE1 4.37Å; M600-F622 HydrophobicContact CG-CE2 4.09Å; M600-F622 HydrophobicContact CG-CZ 3.54Å; V618-F622 HydrophobicContact CG1-CD2 3.86Å; V618-F622 HydrophobicContact CG1-CE2 3.41Å; V618-F622 VanDerWaalsContact CG1-CE2 3.41Å; V618-F622 HydrophobicContact CG1-CZ 4.08Å; V618-F622 WeakPolarHBondContact O-CD2 3.27Å; V618-F622 PolarHBondContact O-N 2.63Å; L619-F622 HydrophobicContact CD2-CD2 4.33Å; L619-F622 PolarHBondContact O-N 3.35Å; G620-F622 PolarHBondContact O-N 3.26Å; F622-R625 PolarHBondContact O-N 3.28Å; F622-L626 WeakPolarHBondContact O-CB 3.35Å; F622-L626 PolarHBondContact O-N 3.09Å; F622-T638 HydrophobicContact CD1-CG2 4.31Å; F622-T638 HydrophobicContact CE1-CG2 3.73Å; F622-T638 HydrophobicContact CE2-CG2 4.23Å; F622-T638 HydrophobicContact CZ-CG2 3.67Å; F622-I642 HydrophobicContact CD2-CD1 4.26Å; F622-I642 HydrophobicContact CE2-CD1 3.81Å; F622-I642 HydrophobicContact CZ-CD1 4.43Å |
| 623 | L | 84.1 | Confident | 81.6 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.4 | -176 | 63.9 | 0 | 0 | 0 | 112 | L619 G620 I621 R625 L626 K627 I654 E657 A658 | L619-L623 PolarHBondContact O-N 3.36Å; G620-L623 WeakPolarHBondContact O-CB 3.47Å; G620-L623 PolarHBondContact O-N 3.28Å; I621-L623 VanDerWaalsContact C-N 3.26Å; I621-L623 PolarHBondContact O-N 2.82Å; L623-R625 VanDerWaalsContact C-N 3.34Å; L623-R625 PolarHBondContact O-N 3.02Å; L623-L626 HydrophobicContact CD1-CD2 4.5Å; L623-L626 WeakPolarHBondContact O-CB 3.15Å; L623-L626 PolarHBondContact O-N 2.62Å; L623-K627 PolarHBondContact O-N 3.11Å; L623-I654 HydrophobicContact CB-CG2 3.99Å; L623-I654 HydrophobicContact CD1-CG2 3.76Å; L623-I654 HydrophobicContact CD2-CG2 4.08Å; L623-I654 HydrophobicContact CG-CG2 4.15Å; L623-E657 HydrophobicContact CD1-CB 4.28Å; L623-E657 HydrophobicContact CD1-CG 4.22Å; L623-E657 HydrophobicContact CD2-CB 4.18Å; L623-E657 HydrophobicContact CD2-CG 4.17Å; L623-E657 WeakPolarHBondContact CD2-OE2 3.44Å; L623-A658 HydrophobicContact CD1-CB 4.25Å |
| 624 | D | 85.2 | Confident | 82.6 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 175.8 | -68.9 | -25.4 | 0 | 0 | 0 | 111.7 | G620 I621 L626 K627 N628 | G620-D624 PolarHBondContact O-N 3.37Å; I621-D624 PolarHBondContact O-N 3.06Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 3.44Å; D624-K627 PolarHBondContact O-N 3.06Å; D624-N628 PolarHBondContact O-N 2.81Å |
| 625 | R | 83.6 | Confident | 83.4 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.9 | -26.4 | 174.8 | -64.5 | -60.3 | -178 | -132.2 | 0.9 | 112.9 | L583 K584 I597 I621 F622 L623 T631 | L583-R625 PolarHBondContact O-NH2 3.4Å; K584-R625 PolarHBondContact O-NH2 3.09Å; I597-R625 HydrophobicContact CD1-CB 4.02Å; I597-R625 HydrophobicContact CD1-CG 4.08Å; I597-R625 HydrophobicContact CG1-CG 4.48Å; I621-R625 HydrophobicContact CG2-CG 4.21Å; I621-R625 VanDerWaalsContact O-CG 3.31Å; I621-R625 WeakPolarHBondContact O-CG 3.41Å; I621-R625 PolarHBondContact O-N 3.25Å; F622-R625 PolarHBondContact O-N 3.28Å; L623-R625 VanDerWaalsContact C-N 3.34Å; L623-R625 PolarHBondContact O-N 3.02Å; R625-T631 PolarHBondContact O-OG1 3.01Å |
| 626 | L | 85.3 | Confident | 84 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 173.2 | -169.4 | 69.6 | 0 | 0 | 0 | 111.2 | F622 L623 D624 N628 R632 A635 V636 L639 A658 V661 L662 F665 | F622-L626 WeakPolarHBondContact O-CB 3.35Å; F622-L626 PolarHBondContact O-N 3.09Å; L623-L626 HydrophobicContact CD1-CD2 4.5Å; L623-L626 WeakPolarHBondContact O-CB 3.15Å; L623-L626 PolarHBondContact O-N 2.62Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 3.44Å; L626-N628 VanDerWaalsContact C-N 3.31Å; L626-N628 PolarHBondContact O-N 3.37Å; L626-R632 WeakPolarHBondContact O-CB 3.4Å; L626-A635 HydrophobicContact CB-CB 4.34Å; L626-A635 HydrophobicContact CD1-CB 3.92Å; L626-V636 HydrophobicContact CD1-CG2 3.61Å; L626-L639 HydrophobicContact CD1-CD1 4.22Å; L626-L639 HydrophobicContact CD2-CD1 4.19Å; L626-A658 HydrophobicContact CD2-CB 4.3Å; L626-V661 HydrophobicContact CD2-CB 4.11Å; L626-V661 HydrophobicContact CD2-CG1 3.81Å; L626-V661 HydrophobicContact CG-CG1 3.87Å; L626-L662 HydrophobicContact CD1-CD2 4.35Å; L626-L662 HydrophobicContact CD2-CD2 4.45Å; L626-L662 HydrophobicContact CD2-CG 4.5Å; L626-F665 HydrophobicContact CD1-CE2 3.8Å; L626-F665 HydrophobicContact CD1-CZ 4.42Å; L626-F665 HydrophobicContact CG-CE2 3.99Å; L626-F665 HydrophobicContact CG-CZ 4.24Å; L626-F665 WeakPolarHBondContact O-CZ 3.32Å |
| 627 | K | 84.9 | Confident | 84.6 | Confident | 99 Ų | 99 | 39.3 Ų | 39.3 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.4 | -29.2 | 179 | -67.1 | 171.9 | -175.9 | 168.7 | 0 | 112.9 | L623 D624 E657 V661 | L623-K627 PolarHBondContact O-N 3.11Å; D624-K627 PolarHBondContact O-N 3.06Å; K627-E657 WeakPolarHBondContact CE-OE1 3.27Å; K627-E657 IonicContact NZ-OE1 2.62Å; K627-E657 PolarHBondContact NZ-OE1 2.76Å; K627-V661 HydrophobicContact CG-CG2 4.4Å |
| 628 | N | 86.1 | Confident | 85 | Confident | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -71.6 | 142.3 | -179.2 | -176.3 | 13.1 | 0 | 0 | 0 | 112.5 | D624 L626 T631 R632 | D624-N628 PolarHBondContact O-N 2.81Å; L626-N628 VanDerWaalsContact C-N 3.31Å; L626-N628 PolarHBondContact O-N 3.37Å; N628-T631 WeakPolarHBondContact CB-OG1 3.3Å; N628-T631 PolarHBondContact ND2-OG1 3.2Å; N628-R632 WeakPolarHBondContact O-CB 3.29Å; N628-R632 PolarHBondContact O-N 3.35Å |
| 629 | E | 79.3 | Confident | 85.2 | Confident | 127 Ų | 127 | 37.9 Ų | 37.9 | 59% | 0.593 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -42.8 | -174.8 | 179.7 | 132.6 | -109.1 | 0 | 0 | 114.9 | R632 | E629-R632 VanDerWaalsContact CA-CZ 3.44Å; E629-R632 VanDerWaalsContact CB-NH2 3.27Å; E629-R632 WeakPolarHBondContact O-CG 3.22Å; E629-R632 IonicContact OE1-CZ 3.9Å; E629-R632 VanDerWaalsContact OE1-CZ 3.27Å; E629-R632 IonicContact OE1-NH1 3.03Å; E629-R632 PolarHBondContact OE1-NH1 3.34Å; E629-R632 IonicContact OE1-NH2 3.86Å; E629-R632 PolarHBondContact OE1-NH2 3.44Å |
| 630 | I | 83.1 | Confident | 85.5 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 45% | 0.446 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -39.8 | -172.5 | -58.6 | 179.1 | 0 | 0 | 0 | 109.9 | Q590 | Q590-I630 HydrophobicContact CB-CG2 4.21Å; Q590-I630 HydrophobicContact CG-CG2 3.41Å; Q590-I630 VanDerWaalsContact CG-CG2 3.41Å |
| 631 | T | 84.6 | Confident | 85.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -6.3 | -172.6 | 52.4 | 0 | 0 | 0 | 0 | 114.9 | K593 I597 R625 N628 L633 T634 A635 | K593-T631 HydrophobicContact CB-CG2 4.31Å; I597-T631 HydrophobicContact CD1-CG2 3.75Å; R625-T631 PolarHBondContact O-OG1 3.01Å; N628-T631 WeakPolarHBondContact CB-OG1 3.3Å; N628-T631 PolarHBondContact ND2-OG1 3.2Å; T631-L633 PolarHBondContact O-N 3.13Å; T631-T634 PolarHBondContact O-N 3.07Å; T631-A635 WeakPolarHBondContact O-CB 3.45Å; T631-A635 PolarHBondContact O-N 3.45Å |
| 632 | R | 88 | Confident | 85.5 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | -174.2 | 66.3 | -179.9 | 68.1 | 135.9 | -1.8 | 113.5 | L626 N628 E629 T634 A635 V636 F665 K668 L673 | L626-R632 WeakPolarHBondContact O-CB 3.4Å; N628-R632 WeakPolarHBondContact O-CB 3.29Å; N628-R632 PolarHBondContact O-N 3.35Å; E629-R632 VanDerWaalsContact CA-CZ 3.44Å; E629-R632 VanDerWaalsContact CB-NH2 3.27Å; E629-R632 WeakPolarHBondContact O-CG 3.22Å; E629-R632 IonicContact OE1-CZ 3.9Å; E629-R632 VanDerWaalsContact OE1-CZ 3.27Å; E629-R632 IonicContact OE1-NH1 3.03Å; E629-R632 PolarHBondContact OE1-NH1 3.34Å; E629-R632 IonicContact OE1-NH2 3.86Å; E629-R632 PolarHBondContact OE1-NH2 3.44Å; R632-T634 PolarHBondContact O-N 3.23Å; R632-A635 PolarHBondContact O-N 3.14Å; R632-V636 VanDerWaalsContact O-CG2 3.23Å; R632-V636 WeakPolarHBondContact O-CG2 3.45Å; R632-V636 PolarHBondContact O-N 3.01Å; R632-F665 HydrophobicContact CB-CE2 4.2Å; R632-F665 HydrophobicContact CB-CZ 3.89Å; R632-K668 VanDerWaalsContact NH2-NZ 3.18Å; R632-L673 HydrophobicContact CG-CD1 4.13Å; R632-L673 HydrophobicContact CG-CD2 4.46Å |
| 633 | L | 87.8 | Confident | 85.3 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 20% | 0.199 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | -175.5 | 179.8 | 64 | 0 | 0 | 0 | 111.2 | T631 V636 K637 V672 L673 | T631-L633 PolarHBondContact O-N 3.13Å; L633-V636 PolarHBondContact O-N 2.84Å; L633-K637 PolarHBondContact O-N 3.2Å; L633-K637 VanDerWaalsContact O-N 3.11Å; L633-V672 HydrophobicContact CD1-CG1 4.06Å; L633-V672 HydrophobicContact CD2-CG1 3.96Å; L633-L673 HydrophobicContact CB-CD1 4.4Å; L633-L673 HydrophobicContact CD1-CD1 4.05Å |
| 634 | T | 87.4 | Confident | 85.1 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | 178.8 | -52.8 | 0 | 0 | 0 | 0 | 111 | E594 I597 T631 R632 V636 K637 T638 | E594-T634 HydrophobicContact CB-CG2 4.18Å; E594-T634 WeakPolarHBondContact O-CG2 3.4Å; I597-T634 HydrophobicContact CB-CG2 4.2Å; I597-T634 HydrophobicContact CG2-CG2 3.94Å; T631-T634 PolarHBondContact O-N 3.07Å; R632-T634 PolarHBondContact O-N 3.23Å; T634-V636 PolarHBondContact O-N 3.47Å; T634-K637 PolarHBondContact O-N 3.42Å; T634-T638 WeakPolarHBondContact O-CB 3.39Å; T634-T638 PolarHBondContact O-N 3.32Å; T634-T638 PolarHBondContact O-OG1 2.93Å |
| 635 | A | 88 | Confident | 84.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L626 T631 R632 T638 L639 | L626-A635 HydrophobicContact CB-CB 4.34Å; L626-A635 HydrophobicContact CD1-CB 3.92Å; T631-A635 WeakPolarHBondContact O-CB 3.45Å; T631-A635 PolarHBondContact O-N 3.45Å; R632-A635 PolarHBondContact O-N 3.14Å; A635-T638 PolarHBondContact O-N 2.96Å; A635-L639 WeakPolarHBondContact O-CG 3.4Å; A635-L639 PolarHBondContact O-N 3.1Å |
| 636 | V | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L626 R632 L633 T634 T638 L639 T640 L662 F665 L673 S676 C680 | L626-V636 HydrophobicContact CD1-CG2 3.61Å; R632-V636 VanDerWaalsContact O-CG2 3.23Å; R632-V636 WeakPolarHBondContact O-CG2 3.45Å; R632-V636 PolarHBondContact O-N 3.01Å; L633-V636 PolarHBondContact O-N 2.84Å; T634-V636 PolarHBondContact O-N 3.47Å; V636-T638 VanDerWaalsContact C-N 3.33Å; V636-T638 PolarHBondContact O-N 3.38Å; V636-L639 PolarHBondContact O-N 2.93Å; V636-T640 PolarHBondContact O-N 3.34Å; V636-T640 PolarHBondContact O-OG1 3.21Å; V636-L662 HydrophobicContact CG2-CD2 3.72Å; V636-F665 HydrophobicContact CG2-CD2 4.17Å; V636-F665 HydrophobicContact CG2-CE2 4.08Å; V636-L673 HydrophobicContact CG2-CD1 4.45Å; V636-S676 VanDerWaalsContact CG1-C 3.43Å; V636-S676 VanDerWaalsContact CG1-O 3.25Å; V636-S676 WeakPolarHBondContact CG1-O 3.41Å; V636-C680 HydrophobicContact CG1-CB 3.82Å |
| 637 | K | 87.6 | Confident | 83.2 | Confident | 116 Ų | 116 | 41.4 Ų | 41.4 | 50% | 0.504 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.6 | -70.5 | 179.1 | 179.6 | -179.5 | 0 | 111.6 | L633 T634 T640 L641 | L633-K637 PolarHBondContact O-N 3.2Å; L633-K637 VanDerWaalsContact O-N 3.11Å; T634-K637 PolarHBondContact O-N 3.42Å; K637-T640 WeakPolarHBondContact O-CB 3.25Å; K637-T640 PolarHBondContact O-N 2.94Å; K637-L641 PolarHBondContact O-N 3.07Å |
| 638 | T | 86.7 | Confident | 82.4 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.6 | -70.2 | 0 | 0 | 0 | 0 | 112 | I597 F622 T634 A635 V636 T640 L641 I642 | I597-T638 PolarHBondContact O-OG1 2.84Å; F622-T638 HydrophobicContact CD1-CG2 4.31Å; F622-T638 HydrophobicContact CE1-CG2 3.73Å; F622-T638 HydrophobicContact CE2-CG2 4.23Å; F622-T638 HydrophobicContact CZ-CG2 3.67Å; T634-T638 WeakPolarHBondContact O-CB 3.39Å; T634-T638 PolarHBondContact O-N 3.32Å; T634-T638 PolarHBondContact O-OG1 2.93Å; A635-T638 PolarHBondContact O-N 2.96Å; V636-T638 VanDerWaalsContact C-N 3.33Å; V636-T638 PolarHBondContact O-N 3.38Å; T638-T640 VanDerWaalsContact C-N 3.3Å; T638-T640 PolarHBondContact O-N 2.94Å; T638-L641 WeakPolarHBondContact O-CB 3.18Å; T638-L641 PolarHBondContact O-N 3.33Å; T638-I642 HydrophobicContact CG2-CD1 3.69Å; T638-I642 HydrophobicContact CG2-CG1 4.36Å; T638-I642 VanDerWaalsContact O-CG1 3.29Å; T638-I642 WeakPolarHBondContact O-CG1 3.27Å; T638-I642 PolarHBondContact O-N 2.9Å |
| 639 | L | 85.9 | Confident | 81.6 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -35.6 | 176 | -72.3 | 173.3 | 0 | 0 | 0 | 112.4 | L626 A635 V636 I642 S643 M651 | L626-L639 HydrophobicContact CD1-CD1 4.22Å; L626-L639 HydrophobicContact CD2-CD1 4.19Å; A635-L639 WeakPolarHBondContact O-CG 3.4Å; A635-L639 PolarHBondContact O-N 3.1Å; V636-L639 PolarHBondContact O-N 2.93Å; L639-I642 PolarHBondContact O-N 3.34Å; L639-S643 WeakPolarHBondContact O-CB 3.49Å; L639-S643 PolarHBondContact O-N 2.67Å; L639-S643 PolarHBondContact O-OG 3.41Å; L639-M651 HydrophobicContact CD2-CE 3.71Å |
| 640 | T | 86.9 | Confident | 81 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 173.1 | -48.1 | 0 | 0 | 0 | 0 | 110.5 | V636 K637 T638 S643 A644 C680 A683 | V636-T640 PolarHBondContact O-N 3.34Å; V636-T640 PolarHBondContact O-OG1 3.21Å; K637-T640 WeakPolarHBondContact O-CB 3.25Å; K637-T640 PolarHBondContact O-N 2.94Å; T638-T640 VanDerWaalsContact C-N 3.3Å; T638-T640 PolarHBondContact O-N 2.94Å; T640-S643 WeakPolarHBondContact CA-OG 3.38Å; T640-S643 PolarHBondContact O-N 3.34Å; T640-S643 PolarHBondContact O-OG 3.49Å; T640-A644 WeakPolarHBondContact O-CB 3.37Å; T640-A644 PolarHBondContact O-N 3.14Å; T640-C680 VanDerWaalsContact OG1-CA 3.27Å; T640-C680 WeakPolarHBondContact OG1-CA 3.35Å; T640-C680 WeakPolarHBondContact OG1-CB 3.45Å; T640-A683 HydrophobicContact CG2-CB 4.22Å |
| 641 | L | 84.7 | Confident | 80.3 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 177.9 | 177.9 | 71.3 | 0 | 0 | 0 | 112.6 | H602 C605 K637 T638 S645 | H602-L641 WeakPolarHBondContact CE1-CD2 3.5Å; H602-L641 WeakPolarHBondContact NE2-CD2 3.41Å; C605-L641 HydrophobicContact CB-CD2 4.19Å; C605-L641 HydrophobicContact CB-CG 4.01Å; C605-L641 PolarHBondContact SG-O 3.02Å; K637-L641 PolarHBondContact O-N 3.07Å; T638-L641 WeakPolarHBondContact O-CB 3.18Å; T638-L641 PolarHBondContact O-N 3.33Å; L641-S645 PolarHBondContact O-N 3.34Å |
| 642 | I | 83.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 179.2 | -68.7 | 167.6 | 0 | 0 | 0 | 110.4 | V604 F622 T638 L639 S645 I649 M651 | V604-I642 HydrophobicContact CB-CD1 4.24Å; V604-I642 HydrophobicContact CB-CG1 4.26Å; V604-I642 HydrophobicContact CG1-CD1 4.03Å; V604-I642 HydrophobicContact CG1-CG1 3.98Å; V604-I642 HydrophobicContact CG1-CG2 4.01Å; F622-I642 HydrophobicContact CD2-CD1 4.26Å; F622-I642 HydrophobicContact CE2-CD1 3.81Å; F622-I642 HydrophobicContact CZ-CD1 4.43Å; T638-I642 HydrophobicContact CG2-CD1 3.69Å; T638-I642 HydrophobicContact CG2-CG1 4.36Å; T638-I642 VanDerWaalsContact O-CG1 3.29Å; T638-I642 WeakPolarHBondContact O-CG1 3.27Å; T638-I642 PolarHBondContact O-N 2.9Å; L639-I642 PolarHBondContact O-N 3.34Å; I642-S645 WeakPolarHBondContact O-CB 3.48Å; I642-S645 PolarHBondContact O-N 2.95Å; I642-I649 HydrophobicContact CG2-CD1 4.34Å; I642-M651 HydrophobicContact CG2-CE 4.33Å; I642-M651 HydrophobicContact CG2-SD 3.93Å |
| 643 | S | 79.5 | Confident | 78.9 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.2 | -30.2 | -180 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | L639 T640 S645 A683 H687 | L639-S643 WeakPolarHBondContact O-CB 3.49Å; L639-S643 PolarHBondContact O-N 2.67Å; L639-S643 PolarHBondContact O-OG 3.41Å; T640-S643 WeakPolarHBondContact CA-OG 3.38Å; T640-S643 PolarHBondContact O-N 3.34Å; T640-S643 PolarHBondContact O-OG 3.49Å; S643-S645 PolarHBondContact O-N 3.09Å; S643-A683 WeakPolarHBondContact OG-CB 3.33Å; S643-H687 WeakPolarHBondContact O-CB 3.21Å; S643-H687 PolarHBondContact O-CD2 3.42Å; S643-H687 VanDerWaalsContact O-CD2 3.28Å |
| 644 | A | 79.5 | Confident | 78.4 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 45% | 0.446 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T640 | T640-A644 WeakPolarHBondContact O-CB 3.37Å; T640-A644 PolarHBondContact O-N 3.14Å |
| 645 | S | 78.8 | Confident | 78 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | trans | -66.1 | 137.5 | -177.7 | 177.1 | 0 | 0 | 0 | 0 | 112 | C605 L641 I642 S643 L647 K648 | C605-S645 PolarHBondContact O-OG 3.42Å; L641-S645 PolarHBondContact O-N 3.34Å; I642-S645 WeakPolarHBondContact O-CB 3.48Å; I642-S645 PolarHBondContact O-N 2.95Å; S643-S645 PolarHBondContact O-N 3.09Å; S645-L647 PolarHBondContact O-N 3.47Å; S645-L647 VanDerWaalsContact O-N 3.1Å; S645-L647 PolarHBondContact OG-N 2.82Å; S645-K648 PolarHBondContact O-N 3.41Å | ||
| 646 | P | 69.5 | Low | 77.6 | Confident | 97 Ų | 97 | 45.4 Ų | 45.4 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21 | 173.2 | -22.9 | 33.1 | 0 | 0 | 0 | 114.3 | K648 | P646-K648 VanDerWaalsContact C-N 3.27Å; P646-K648 PolarHBondContact O-N 3.01Å |
| 647 | L | 66.6 | Low | 77.3 | Confident | 50 Ų | 50 | 49.8 Ų | 49.8 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.8 | -171.7 | -55.2 | 175.8 | 0 | 0 | 0 | 114.1 | C605 D609 S645 I649 | C605-L647 VanDerWaalsContact O-CD1 3.3Å; C605-L647 WeakPolarHBondContact O-CD1 3.26Å; D609-L647 VanDerWaalsContact OD1-CD1 3.24Å; D609-L647 WeakPolarHBondContact OD1-CD1 3.26Å; S645-L647 PolarHBondContact O-N 3.47Å; S645-L647 VanDerWaalsContact O-N 3.1Å; S645-L647 PolarHBondContact OG-N 2.82Å; L647-I649 HydrophobicContact CB-CG1 4.29Å; L647-I649 PolarHBondContact O-N 2.97Å |
| 648 | K | 67.1 | Low | 77.1 | Confident | 172 Ų | 172 | 44.5 Ų | 44.5 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | trans | 45.3 | 57.5 | 177.7 | -64.1 | -176.8 | 179.7 | 179 | 0 | 113 | S645 P646 | S645-K648 PolarHBondContact O-N 3.41Å; P646-K648 VanDerWaalsContact C-N 3.27Å; P646-K648 PolarHBondContact O-N 3.01Å | ||
| 649 | I | 70.3 | Confident | 76.9 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | trans | -64 | 137 | -177.8 | -61 | 174.3 | 0 | 0 | 0 | 110.7 | V604 L615 I642 L647 M651 H688 | V604-I649 HydrophobicContact CG1-CD1 3.51Å; V604-I649 WeakPolarHBondContact O-CD1 3.26Å; L615-I649 HydrophobicContact CD1-CG2 4.22Å; L615-I649 HydrophobicContact CD2-CG2 3.52Å; L615-I649 HydrophobicContact CG-CG2 4.42Å; I642-I649 HydrophobicContact CG2-CD1 4.34Å; L647-I649 HydrophobicContact CB-CG1 4.29Å; L647-I649 PolarHBondContact O-N 2.97Å; I649-M651 HydrophobicContact CG2-SD 4.48Å; I649-M651 PolarHBondContact O-N 2.95Å; I649-H688 PolarHBondContact O-CE1 3.4Å | ||
| 650 | D | 67.5 | Low | 77 | Confident | 102 Ų | 102 | 46.9 Ų | 46.9 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | trans | -73.3 | 111.2 | 178.4 | -171 | 1.3 | 0 | 0 | 0 | 111.4 | T652 | D650-T652 VanDerWaalsContact OD1-CB 3.27Å; D650-T652 WeakPolarHBondContact OD1-CB 3.4Å; D650-T652 WeakPolarHBondContact OD1-CG2 3.48Å; D650-T652 PolarHBondContact OD1-N 2.97Å; D650-T652 PolarHBondContact OD1-OG1 3.28Å; D650-T652 PolarHBondContact OD2-OG1 3.37Å | ||
| 651 | M | 68.2 | Low | 76.9 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | trans | -108 | 10.3 | -179.4 | -65.7 | -68 | -71.9 | 0 | 0 | 112.8 | L619 L639 I642 I649 A653 I654 L655 | L619-M651 HydrophobicContact CD1-SD 3.66Å; L619-M651 HydrophobicContact CD2-CE 3.67Å; L619-M651 HydrophobicContact CD2-SD 3.37Å; L619-M651 WeakPolarHBondContact CD2-SD 3.36Å; L619-M651 HydrophobicContact CG-SD 4.16Å; L639-M651 HydrophobicContact CD2-CE 3.71Å; I642-M651 HydrophobicContact CG2-CE 4.33Å; I642-M651 HydrophobicContact CG2-SD 3.93Å; I649-M651 HydrophobicContact CG2-SD 4.48Å; I649-M651 PolarHBondContact O-N 2.95Å; M651-A653 VanDerWaalsContact C-N 3.26Å; M651-A653 PolarHBondContact O-N 3Å; M651-A653 VanDerWaalsContact O-N 3.14Å; M651-I654 HydrophobicContact CE-CD1 3.8Å; M651-I654 PolarHBondContact O-N 3.47Å; M651-I654 HydrophobicContact SD-CD1 4.5Å; M651-L655 PolarHBondContact O-N 3.42Å | ||
| 652 | T | 71 | Confident | 77 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.9 | -172 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | D650 | D650-T652 VanDerWaalsContact OD1-CB 3.27Å; D650-T652 WeakPolarHBondContact OD1-CB 3.4Å; D650-T652 WeakPolarHBondContact OD1-CG2 3.48Å; D650-T652 PolarHBondContact OD1-N 2.97Å; D650-T652 PolarHBondContact OD1-OG1 3.28Å; D650-T652 PolarHBondContact OD2-OG1 3.37Å |
| 653 | A | 72.6 | Confident | 77 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 69% | 0.686 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -35.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M651 | M651-A653 VanDerWaalsContact C-N 3.26Å; M651-A653 PolarHBondContact O-N 3Å; M651-A653 VanDerWaalsContact O-N 3.14Å |
| 654 | I | 76.8 | Confident | 77.4 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -23.8 | -175.5 | -53.7 | 158.4 | 0 | 0 | 0 | 112.2 | L619 L623 M651 P656 E657 A658 | L619-I654 HydrophobicContact CB-CD1 3.28Å; L619-I654 HydrophobicContact CB-CG1 4Å; L619-I654 HydrophobicContact CD1-CD1 3.97Å; L619-I654 HydrophobicContact CD2-CD1 3.66Å; L619-I654 HydrophobicContact CG-CD1 3.76Å; L619-I654 WeakPolarHBondContact O-CD1 3.32Å; L623-I654 HydrophobicContact CB-CG2 3.99Å; L623-I654 HydrophobicContact CD1-CG2 3.76Å; L623-I654 HydrophobicContact CD2-CG2 4.08Å; L623-I654 HydrophobicContact CG-CG2 4.15Å; M651-I654 HydrophobicContact CE-CD1 3.8Å; M651-I654 PolarHBondContact O-N 3.47Å; M651-I654 HydrophobicContact SD-CD1 4.5Å; I654-P656 VanDerWaalsContact C-CD 3.48Å; I654-E657 PolarHBondContact O-N 2.87Å; I654-E657 VanDerWaalsContact O-N 3.16Å; I654-A658 HydrophobicContact CG2-CB 3.82Å; I654-A658 PolarHBondContact O-N 2.88Å |
| 655 | L | 77.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.3 | -43.9 | -162.1 | -161.4 | 59.1 | 0 | 0 | 0 | 114.4 | M651 E657 L659 L684 I692 | M651-L655 PolarHBondContact O-N 3.42Å; L655-E657 PolarHBondContact O-N 3.18Å; L655-L659 HydrophobicContact CD1-CD1 4.42Å; L655-L659 HydrophobicContact CD1-CG 4.4Å; L655-L659 HydrophobicContact CG-CD1 4.11Å; L655-L659 WeakPolarHBondContact O-CB 3.47Å; L655-L659 WeakPolarHBondContact O-CG 3.31Å; L655-L659 PolarHBondContact O-N 2.89Å; L655-L684 HydrophobicContact CD1-CD1 4.45Å; L655-L684 HydrophobicContact CD1-CD2 4.02Å; L655-I692 HydrophobicContact CD2-CB 4.45Å; L655-I692 HydrophobicContact CD2-CD1 4.38Å; L655-I692 HydrophobicContact CD2-CG1 3.41Å; L655-I692 VanDerWaalsContact CD2-CG1 3.41Å; L655-I692 HydrophobicContact CG-CG1 4.16Å |
| 656 | P | 80 | Confident | 78.1 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | -179.6 | -20.9 | 33.9 | 0 | 0 | 0 | 113.5 | I654 S660 A696 | I654-P656 VanDerWaalsContact C-CD 3.48Å; P656-S660 PolarHBondContact O-N 3.38Å; P656-A696 HydrophobicContact CB-CB 4.45Å |
| 657 | E | 82.1 | Confident | 78.9 | Confident | 92 Ų | 92 | 48.2 Ų | 48.2 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.4 | -39.9 | -177.9 | -165.3 | 174.1 | 170.2 | 0 | 0 | 111.3 | L623 K627 I654 L655 S660 V661 | L623-E657 HydrophobicContact CD1-CB 4.28Å; L623-E657 HydrophobicContact CD1-CG 4.22Å; L623-E657 HydrophobicContact CD2-CB 4.18Å; L623-E657 HydrophobicContact CD2-CG 4.17Å; L623-E657 WeakPolarHBondContact CD2-OE2 3.44Å; K627-E657 WeakPolarHBondContact CE-OE1 3.27Å; K627-E657 IonicContact NZ-OE1 2.62Å; K627-E657 PolarHBondContact NZ-OE1 2.76Å; I654-E657 PolarHBondContact O-N 2.87Å; I654-E657 VanDerWaalsContact O-N 3.16Å; L655-E657 PolarHBondContact O-N 3.18Å; E657-S660 PolarHBondContact O-N 3.33Å; E657-V661 WeakPolarHBondContact O-CG2 3.39Å; E657-V661 PolarHBondContact O-N 2.99Å |
| 658 | A | 83.2 | Confident | 79.7 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L623 L626 I654 S660 V661 L662 | L623-A658 HydrophobicContact CD1-CB 4.25Å; L626-A658 HydrophobicContact CD2-CB 4.3Å; I654-A658 HydrophobicContact CG2-CB 3.82Å; I654-A658 PolarHBondContact O-N 2.88Å; A658-S660 VanDerWaalsContact C-N 3.31Å; A658-S660 PolarHBondContact O-N 3.01Å; A658-V661 PolarHBondContact O-N 3.42Å; A658-L662 WeakPolarHBondContact O-CB 3.37Å; A658-L662 WeakPolarHBondContact O-CG 3.32Å; A658-L662 PolarHBondContact O-N 3.01Å |
| 659 | L | 83.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 178 | -73.9 | 172.6 | 0 | 0 | 0 | 112.2 | L655 G663 L681 I692 A696 L697 V700 | L655-L659 HydrophobicContact CD1-CD1 4.42Å; L655-L659 HydrophobicContact CD1-CG 4.4Å; L655-L659 HydrophobicContact CG-CD1 4.11Å; L655-L659 WeakPolarHBondContact O-CB 3.47Å; L655-L659 WeakPolarHBondContact O-CG 3.31Å; L655-L659 PolarHBondContact O-N 2.89Å; L659-G663 PolarHBondContact O-N 3.35Å; L659-L681 HydrophobicContact CD2-CD2 3.5Å; L659-L681 VanDerWaalsContact CD2-CD2 3.5Å; L659-I692 HydrophobicContact CD1-CG2 4.07Å; L659-A696 WeakPolarHBondContact CB-O 3.34Å; L659-A696 HydrophobicContact CD1-CB 3.96Å; L659-L697 HydrophobicContact CD1-CD2 4.26Å; L659-L697 HydrophobicContact CD2-CD2 4.44Å; L659-V700 WeakPolarHBondContact O-CG2 3.45Å |
| 660 | S | 86.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 43% | 0.434 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | P656 E657 A658 G663 S664 | P656-S660 PolarHBondContact O-N 3.38Å; E657-S660 PolarHBondContact O-N 3.33Å; A658-S660 VanDerWaalsContact C-N 3.31Å; A658-S660 PolarHBondContact O-N 3.01Å; S660-G663 PolarHBondContact O-N 2.97Å; S660-S664 PolarHBondContact O-N 3.42Å; S660-S664 VanDerWaalsContact O-N 3.17Å |
| 661 | V | 86.5 | Confident | 82.2 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -44 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | L626 K627 E657 A658 G663 S664 F665 | L626-V661 HydrophobicContact CD2-CB 4.11Å; L626-V661 HydrophobicContact CD2-CG1 3.81Å; L626-V661 HydrophobicContact CG-CG1 3.87Å; K627-V661 HydrophobicContact CG-CG2 4.4Å; E657-V661 WeakPolarHBondContact O-CG2 3.39Å; E657-V661 PolarHBondContact O-N 2.99Å; A658-V661 PolarHBondContact O-N 3.42Å; V661-G663 VanDerWaalsContact C-N 3.34Å; V661-G663 PolarHBondContact O-N 3.48Å; V661-S664 WeakPolarHBondContact O-CB 3.22Å; V661-S664 PolarHBondContact O-N 3.16Å; V661-S664 VanDerWaalsContact O-N 3.15Å; V661-S664 PolarHBondContact O-OG 3.22Å; V661-F665 HydrophobicContact CG1-CE1 3.93Å; V661-F665 HydrophobicContact CG1-CE2 3.84Å; V661-F665 HydrophobicContact CG1-CZ 3.38Å; V661-F665 PolarHBondContact O-N 3.48Å |
| 662 | L | 85.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.4 | -69.1 | 172.5 | 0 | 0 | 0 | 111.4 | L626 V636 A658 S664 F665 T677 L681 L684 | L626-L662 HydrophobicContact CD1-CD2 4.35Å; L626-L662 HydrophobicContact CD2-CD2 4.45Å; L626-L662 HydrophobicContact CD2-CG 4.5Å; V636-L662 HydrophobicContact CG2-CD2 3.72Å; A658-L662 WeakPolarHBondContact O-CB 3.37Å; A658-L662 WeakPolarHBondContact O-CG 3.32Å; A658-L662 PolarHBondContact O-N 3.01Å; L662-S664 VanDerWaalsContact C-N 3.29Å; L662-S664 PolarHBondContact O-N 3.2Å; L662-F665 HydrophobicContact CD2-CD2 4.12Å; L662-F665 HydrophobicContact CD2-CE2 4.31Å; L662-F665 WeakPolarHBondContact O-CB 3.44Å; L662-F665 PolarHBondContact O-N 3.39Å; L662-T677 HydrophobicContact CB-CG2 3.91Å; L662-T677 HydrophobicContact CD2-CG2 3.96Å; L662-T677 HydrophobicContact CG-CG2 4.5Å; L662-T677 WeakPolarHBondContact O-CG2 3.35Å; L662-L681 HydrophobicContact CB-CD2 4.06Å; L662-L681 HydrophobicContact CB-CG 4.43Å; L662-L681 HydrophobicContact CD1-CD2 3.85Å; L662-L681 HydrophobicContact CD1-CG 4.35Å; L662-L684 HydrophobicContact CD1-CD1 4.02Å |
| 663 | G | 84.6 | Confident | 84 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.8 | -43.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L659 S660 V661 F665 L666 | L659-G663 PolarHBondContact O-N 3.35Å; S660-G663 PolarHBondContact O-N 2.97Å; V661-G663 VanDerWaalsContact C-N 3.34Å; V661-G663 PolarHBondContact O-N 3.48Å; G663-F665 PolarHBondContact O-N 3.33Å; G663-L666 WeakPolarHBondContact O-CB 3.44Å; G663-L666 PolarHBondContact O-N 3.05Å; G663-L666 VanDerWaalsContact O-N 3.16Å |
| 664 | S | 88.4 | Confident | 84.7 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62 | -27.5 | 177 | 84.2 | 0 | 0 | 0 | 0 | 114 | S660 V661 L662 L666 R667 | S660-S664 PolarHBondContact O-N 3.42Å; S660-S664 VanDerWaalsContact O-N 3.17Å; V661-S664 WeakPolarHBondContact O-CB 3.22Å; V661-S664 PolarHBondContact O-N 3.16Å; V661-S664 VanDerWaalsContact O-N 3.15Å; V661-S664 PolarHBondContact O-OG 3.22Å; L662-S664 VanDerWaalsContact C-N 3.29Å; L662-S664 PolarHBondContact O-N 3.2Å; S664-L666 VanDerWaalsContact C-N 3.33Å; S664-R667 PolarHBondContact O-N 3.43Å |
| 665 | F | 86.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.8 | -25.9 | 179 | -62.6 | -21.8 | 0 | 0 | 0 | 113.1 | L626 R632 V636 V661 L662 G663 R667 K668 L673 T677 | L626-F665 HydrophobicContact CD1-CE2 3.8Å; L626-F665 HydrophobicContact CD1-CZ 4.42Å; L626-F665 HydrophobicContact CG-CE2 3.99Å; L626-F665 HydrophobicContact CG-CZ 4.24Å; L626-F665 WeakPolarHBondContact O-CZ 3.32Å; R632-F665 HydrophobicContact CB-CE2 4.2Å; R632-F665 HydrophobicContact CB-CZ 3.89Å; V636-F665 HydrophobicContact CG2-CD2 4.17Å; V636-F665 HydrophobicContact CG2-CE2 4.08Å; V661-F665 HydrophobicContact CG1-CE1 3.93Å; V661-F665 HydrophobicContact CG1-CE2 3.84Å; V661-F665 HydrophobicContact CG1-CZ 3.38Å; V661-F665 PolarHBondContact O-N 3.48Å; L662-F665 HydrophobicContact CD2-CD2 4.12Å; L662-F665 HydrophobicContact CD2-CE2 4.31Å; L662-F665 WeakPolarHBondContact O-CB 3.44Å; L662-F665 PolarHBondContact O-N 3.39Å; G663-F665 PolarHBondContact O-N 3.33Å; F665-R667 PolarHBondContact O-N 3.44Å; F665-K668 HydrophobicContact CD1-CD 4.41Å; F665-K668 PolarHBondContact O-N 2.79Å; F665-K668 VanDerWaalsContact O-N 3.1Å; F665-L673 HydrophobicContact CB-CD2 4Å; F665-L673 HydrophobicContact CB-CG 4.15Å; F665-L673 HydrophobicContact CD1-CD2 4.32Å; F665-L673 HydrophobicContact CD2-CD1 4.34Å; F665-L673 HydrophobicContact CG-CD2 4.09Å; F665-L673 HydrophobicContact CG-CG 4.42Å; F665-T677 HydrophobicContact CB-CG2 4.26Å |
| 666 | L | 84.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -25.2 | 176.5 | -63.6 | -177.1 | 0 | 0 | 0 | 112.5 | G663 S664 K674 T677 L678 L681 V700 E703 L707 | G663-L666 WeakPolarHBondContact O-CB 3.44Å; G663-L666 PolarHBondContact O-N 3.05Å; G663-L666 VanDerWaalsContact O-N 3.16Å; S664-L666 VanDerWaalsContact C-N 3.33Å; L666-K674 WeakPolarHBondContact O-CE 3.35Å; L666-T677 HydrophobicContact CD2-CG2 3.76Å; L666-T677 HydrophobicContact CG-CG2 4.19Å; L666-L678 HydrophobicContact CD1-CD2 4.19Å; L666-L678 HydrophobicContact CD2-CD2 3.68Å; L666-L678 HydrophobicContact CD2-CG 3.76Å; L666-L681 HydrophobicContact CD1-CD1 4.11Å; L666-V700 HydrophobicContact CD1-CG1 4.21Å; L666-E703 HydrophobicContact CB-CB 3.92Å; L666-E703 HydrophobicContact CD1-CB 4.2Å; L666-L707 HydrophobicContact CB-CD1 4.13Å; L666-L707 HydrophobicContact CD1-CD1 4.18Å; L666-L707 HydrophobicContact CD2-CD1 4.04Å; L666-L707 HydrophobicContact CG-CD1 4.33Å |
| 667 | R | 86.3 | Confident | 86.3 | Confident | 176 Ų | 176 | 50.1 Ų | 50.1 | 66% | 0.664 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.1 | 174 | -67.4 | -178 | -180 | 168.1 | 6.7 | 114.1 | S664 F665 E703 | S664-R667 PolarHBondContact O-N 3.43Å; F665-R667 PolarHBondContact O-N 3.44Å; R667-E703 WeakPolarHBondContact CD-OE2 3.46Å; R667-E703 HydrophobicContact CG-CG 4.23Å; R667-E703 WeakPolarHBondContact CG-OE2 3.47Å; R667-E703 IonicContact CZ-OE1 2.73Å; R667-E703 VanDerWaalsContact CZ-OE1 3.25Å; R667-E703 IonicContact CZ-OE2 2.95Å; R667-E703 IonicContact NE-OE1 2.66Å; R667-E703 PolarHBondContact NE-OE1 2.95Å; R667-E703 VanDerWaalsContact NE-OE1 3.08Å; R667-E703 IonicContact NE-OE2 3.27Å; R667-E703 PolarHBondContact NE-OE2 3.22Å; R667-E703 IonicContact NH2-OE1 2.77Å; R667-E703 PolarHBondContact NH2-OE1 3.27Å; R667-E703 IonicContact NH2-OE2 2.96Å |
| 668 | K | 84.8 | Confident | 86.6 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -76.3 | 144.4 | -170.9 | -62.2 | -166.1 | 178.7 | -159.1 | 0 | 111.5 | R632 F665 Q670 L673 K674 | R632-K668 VanDerWaalsContact NH2-NZ 3.18Å; F665-K668 HydrophobicContact CD1-CD 4.41Å; F665-K668 PolarHBondContact O-N 2.79Å; F665-K668 VanDerWaalsContact O-N 3.1Å; K668-Q670 PolarHBondContact O-N 3.4Å; K668-L673 HydrophobicContact CD-CD2 4.28Å; K668-K674 WeakPolarHBondContact O-CE 3.44Å |
| 669 | N | 82.4 | Confident | 86.8 | Confident | 161 Ų | 161 | 47.4 Ų | 47.4 | 86% | 0.861 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -73.2 | 13.7 | -177.6 | -158.6 | 14.5 | 0 | 0 | 0 | 114.8 | ||
| 670 | Q | 86.8 | Confident | 87 | Confident | 91 Ų | 91 | 47.4 Ų | 47.4 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | trans | -95.9 | 104.3 | -178.9 | -170.3 | 178.6 | 8.3 | 0 | 0 | 110.8 | K668 V672 L673 K674 | K668-Q670 PolarHBondContact O-N 3.4Å; Q670-V672 PolarHBondContact O-N 3.38Å; Q670-L673 HydrophobicContact CB-CB 4.05Å; Q670-L673 HydrophobicContact CG-CB 4.06Å; Q670-L673 PolarHBondContact O-N 2.88Å; Q670-L673 VanDerWaalsContact O-N 3.16Å; Q670-K674 PolarHBondContact O-N 3.07Å; Q670-K674 VanDerWaalsContact O-N 3.1Å | ||
| 671 | R | 88.1 | Confident | 87 | Confident | 134 Ų | 134 | 44.5 Ų | 44.5 | 51% | 0.506 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.9 | -46.3 | -177.4 | -171.3 | -177.9 | -173.9 | -139.9 | 0.6 | 113.9 | L673 K674 L675 D712 | R671-L673 VanDerWaalsContact C-N 3.29Å; R671-L673 PolarHBondContact O-N 3.49Å; R671-K674 PolarHBondContact O-N 3.29Å; R671-L675 HydrophobicContact CG-CD1 4.23Å; R671-L675 PolarHBondContact O-N 3.21Å; R671-L675 VanDerWaalsContact O-N 3.07Å; R671-D712 IonicContact CZ-OD1 2.86Å; R671-D712 IonicContact CZ-OD2 3.22Å; R671-D712 IonicContact NE-OD1 3.58Å; R671-D712 IonicContact NE-OD2 2.64Å; R671-D712 PolarHBondContact NE-OD2 3.43Å; R671-D712 IonicContact NH2-OD1 3.06Å; R671-D712 PolarHBondContact NH2-OD1 3.45Å; R671-D712 VanDerWaalsContact NH2-OD1 3.15Å; R671-D712 IonicContact NH2-OD2 3.26Å |
| 672 | V | 88.4 | Confident | 87 | Confident | 80 Ų | 80 | 44.4 Ų | 44.4 | 49% | 0.485 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -37.6 | -178.8 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | L633 Q670 S676 | L633-V672 HydrophobicContact CD1-CG1 4.06Å; L633-V672 HydrophobicContact CD2-CG1 3.96Å; Q670-V672 PolarHBondContact O-N 3.38Å; V672-S676 WeakPolarHBondContact O-CB 3.4Å; V672-S676 PolarHBondContact O-N 3.31Å; V672-S676 VanDerWaalsContact O-N 3.09Å; V672-S676 PolarHBondContact O-OG 3.21Å |
| 673 | L | 87.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.8 | -43.9 | 178.3 | -175.6 | 65.5 | 0 | 0 | 0 | 111.2 | R632 L633 V636 F665 K668 Q670 R671 S676 T677 | R632-L673 HydrophobicContact CG-CD1 4.13Å; R632-L673 HydrophobicContact CG-CD2 4.46Å; L633-L673 HydrophobicContact CB-CD1 4.4Å; L633-L673 HydrophobicContact CD1-CD1 4.05Å; V636-L673 HydrophobicContact CG2-CD1 4.45Å; F665-L673 HydrophobicContact CB-CD2 4Å; F665-L673 HydrophobicContact CB-CG 4.15Å; F665-L673 HydrophobicContact CD1-CD2 4.32Å; F665-L673 HydrophobicContact CD2-CD1 4.34Å; F665-L673 HydrophobicContact CG-CD2 4.09Å; F665-L673 HydrophobicContact CG-CG 4.42Å; K668-L673 HydrophobicContact CD-CD2 4.28Å; Q670-L673 HydrophobicContact CB-CB 4.05Å; Q670-L673 HydrophobicContact CG-CB 4.06Å; Q670-L673 PolarHBondContact O-N 2.88Å; Q670-L673 VanDerWaalsContact O-N 3.16Å; R671-L673 VanDerWaalsContact C-N 3.29Å; R671-L673 PolarHBondContact O-N 3.49Å; L673-S676 PolarHBondContact O-N 2.9Å; L673-T677 WeakPolarHBondContact O-CB 3.27Å; L673-T677 PolarHBondContact O-N 3Å; L673-T677 PolarHBondContact O-OG1 3.17Å |
| 674 | K | 87.9 | Confident | 86.9 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55 | -53 | 174.3 | -77.4 | 174.4 | 160.5 | 171.3 | 0 | 111.6 | L666 K668 Q670 R671 S676 T677 L678 L707 | L666-K674 WeakPolarHBondContact O-CE 3.35Å; K668-K674 WeakPolarHBondContact O-CE 3.44Å; Q670-K674 PolarHBondContact O-N 3.07Å; Q670-K674 VanDerWaalsContact O-N 3.1Å; R671-K674 PolarHBondContact O-N 3.29Å; K674-S676 PolarHBondContact O-N 3.07Å; K674-T677 PolarHBondContact O-N 3.15Å; K674-L678 WeakPolarHBondContact O-CG 3.39Å; K674-L678 PolarHBondContact O-N 3.31Å; K674-L707 HydrophobicContact CD-CD2 4.2Å |
| 675 | L | 89.5 | Confident | 86.6 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | -179.2 | -70 | 171.3 | 0 | 0 | 0 | 112.4 | R671 T677 L678 A679 H714 V715 V718 | R671-L675 HydrophobicContact CG-CD1 4.23Å; R671-L675 PolarHBondContact O-N 3.21Å; R671-L675 VanDerWaalsContact O-N 3.07Å; L675-T677 VanDerWaalsContact C-N 3.29Å; L675-T677 PolarHBondContact O-N 3.36Å; L675-L678 PolarHBondContact O-N 3.48Å; L675-A679 WeakPolarHBondContact O-CB 3.49Å; L675-A679 PolarHBondContact O-N 3.27Å; L675-H714 WeakPolarHBondContact CD1-ND1 3.42Å; L675-H714 WeakPolarHBondContact CD2-ND1 3.29Å; L675-V715 HydrophobicContact CD2-CB 4.37Å; L675-V715 HydrophobicContact CD2-CG2 3.64Å; L675-V715 HydrophobicContact CG-CG2 4.04Å; L675-V718 HydrophobicContact CD2-CG2 4.23Å |
| 676 | S | 88 | Confident | 86.3 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -37.3 | 178 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | V636 V672 L673 K674 C680 | V636-S676 VanDerWaalsContact CG1-C 3.43Å; V636-S676 VanDerWaalsContact CG1-O 3.25Å; V636-S676 WeakPolarHBondContact CG1-O 3.41Å; V672-S676 WeakPolarHBondContact O-CB 3.4Å; V672-S676 PolarHBondContact O-N 3.31Å; V672-S676 VanDerWaalsContact O-N 3.09Å; V672-S676 PolarHBondContact O-OG 3.21Å; L673-S676 PolarHBondContact O-N 2.9Å; K674-S676 PolarHBondContact O-N 3.07Å; S676-C680 WeakPolarHBondContact O-CB 3.18Å; S676-C680 PolarHBondContact O-N 2.86Å |
| 677 | T | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | L662 F665 L666 L673 K674 L675 C680 L681 | L662-T677 HydrophobicContact CB-CG2 3.91Å; L662-T677 HydrophobicContact CD2-CG2 3.96Å; L662-T677 HydrophobicContact CG-CG2 4.5Å; L662-T677 WeakPolarHBondContact O-CG2 3.35Å; F665-T677 HydrophobicContact CB-CG2 4.26Å; L666-T677 HydrophobicContact CD2-CG2 3.76Å; L666-T677 HydrophobicContact CG-CG2 4.19Å; L673-T677 WeakPolarHBondContact O-CB 3.27Å; L673-T677 PolarHBondContact O-N 3Å; L673-T677 PolarHBondContact O-OG1 3.17Å; K674-T677 PolarHBondContact O-N 3.15Å; L675-T677 VanDerWaalsContact C-N 3.29Å; L675-T677 PolarHBondContact O-N 3.36Å; T677-C680 WeakPolarHBondContact O-CB 3.42Å; T677-C680 PolarHBondContact O-N 3.43Å; T677-L681 HydrophobicContact CG2-CD1 4.01Å; T677-L681 HydrophobicContact CG2-CG 4.47Å; T677-L681 WeakPolarHBondContact O-CB 3.37Å; T677-L681 VanDerWaalsContact O-CG 3.25Å; T677-L681 WeakPolarHBondContact O-CG 3.43Å; T677-L681 PolarHBondContact O-N 2.92Å |
| 678 | L | 88.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.2 | -68.7 | 169.5 | 0 | 0 | 0 | 112 | L666 K674 L675 L681 T682 L707 V715 V718 S719 L722 | L666-L678 HydrophobicContact CD1-CD2 4.19Å; L666-L678 HydrophobicContact CD2-CD2 3.68Å; L666-L678 HydrophobicContact CD2-CG 3.76Å; K674-L678 WeakPolarHBondContact O-CG 3.39Å; K674-L678 PolarHBondContact O-N 3.31Å; L675-L678 PolarHBondContact O-N 3.48Å; L678-L681 PolarHBondContact O-N 2.71Å; L678-T682 WeakPolarHBondContact O-CB 3.3Å; L678-T682 PolarHBondContact O-N 2.92Å; L678-T682 PolarHBondContact O-OG1 3.49Å; L678-L707 HydrophobicContact CD1-CD1 4.38Å; L678-L707 HydrophobicContact CD2-CD1 4.14Å; L678-V715 HydrophobicContact CD1-CG1 4.02Å; L678-V718 HydrophobicContact CB-CB 4.41Å; L678-V718 HydrophobicContact CB-CG1 3.61Å; L678-V718 HydrophobicContact CD1-CB 4.41Å; L678-V718 HydrophobicContact CD1-CG1 4.47Å; L678-S719 VanDerWaalsContact CD1-OG 3.26Å; L678-S719 WeakPolarHBondContact CD1-OG 3.39Å; L678-L722 HydrophobicContact CD2-CD2 3.99Å |
| 679 | A | 87.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L675 T682 A683 | L675-A679 WeakPolarHBondContact O-CB 3.49Å; L675-A679 PolarHBondContact O-N 3.27Å; A679-T682 PolarHBondContact O-N 3.43Å; A679-A683 PolarHBondContact O-N 3.46Å |
| 680 | C | 87.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | V636 T640 S676 T677 T682 A683 L684 | V636-C680 HydrophobicContact CG1-CB 3.82Å; T640-C680 VanDerWaalsContact OG1-CA 3.27Å; T640-C680 WeakPolarHBondContact OG1-CA 3.35Å; T640-C680 WeakPolarHBondContact OG1-CB 3.45Å; S676-C680 WeakPolarHBondContact O-CB 3.18Å; S676-C680 PolarHBondContact O-N 2.86Å; T677-C680 WeakPolarHBondContact O-CB 3.42Å; T677-C680 PolarHBondContact O-N 3.43Å; C680-T682 VanDerWaalsContact C-N 3.28Å; C680-T682 PolarHBondContact O-N 3.08Å; C680-A683 PolarHBondContact O-N 2.85Å; C680-L684 WeakPolarHBondContact O-CB 3.4Å; C680-L684 VanDerWaalsContact O-CG 3.28Å; C680-L684 WeakPolarHBondContact O-CG 3.47Å; C680-L684 PolarHBondContact O-N 3.34Å |
| 681 | L | 86.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.4 | -71.3 | 167.9 | 0 | 0 | 0 | 111.1 | L659 L662 L666 T677 L678 L684 V685 V700 L722 | L659-L681 HydrophobicContact CD2-CD2 3.5Å; L659-L681 VanDerWaalsContact CD2-CD2 3.5Å; L662-L681 HydrophobicContact CB-CD2 4.06Å; L662-L681 HydrophobicContact CB-CG 4.43Å; L662-L681 HydrophobicContact CD1-CD2 3.85Å; L662-L681 HydrophobicContact CD1-CG 4.35Å; L666-L681 HydrophobicContact CD1-CD1 4.11Å; T677-L681 HydrophobicContact CG2-CD1 4.01Å; T677-L681 HydrophobicContact CG2-CG 4.47Å; T677-L681 WeakPolarHBondContact O-CB 3.37Å; T677-L681 VanDerWaalsContact O-CG 3.25Å; T677-L681 WeakPolarHBondContact O-CG 3.43Å; T677-L681 PolarHBondContact O-N 2.92Å; L678-L681 PolarHBondContact O-N 2.71Å; L681-L684 PolarHBondContact O-N 3.27Å; L681-V685 WeakPolarHBondContact O-CB 3.06Å; L681-V685 VanDerWaalsContact O-CG2 3.28Å; L681-V685 WeakPolarHBondContact O-CG2 3.35Å; L681-V685 PolarHBondContact O-N 3.49Å; L681-V700 HydrophobicContact CD1-CG1 3.63Å; L681-V700 HydrophobicContact CD1-CG2 4.32Å; L681-V700 HydrophobicContact CD2-CG1 4.32Å; L681-V700 HydrophobicContact CD2-CG2 3.93Å; L681-L722 HydrophobicContact CB-CD1 3.87Å; L681-L722 HydrophobicContact CB-CD2 3.91Å; L681-L722 HydrophobicContact CD1-CD2 4.15Å |
| 682 | T | 86.3 | Confident | 81.8 | Confident | 21 Ų | 21 | 31.2 Ų | 31.2 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | L678 A679 C680 V685 T686 T721 | L678-T682 WeakPolarHBondContact O-CB 3.3Å; L678-T682 PolarHBondContact O-N 2.92Å; L678-T682 PolarHBondContact O-OG1 3.49Å; A679-T682 PolarHBondContact O-N 3.43Å; C680-T682 VanDerWaalsContact C-N 3.28Å; C680-T682 PolarHBondContact O-N 3.08Å; T682-V685 PolarHBondContact O-N 2.92Å; T682-T686 WeakPolarHBondContact O-CB 3.2Å; T682-T686 PolarHBondContact O-N 3.33Å; T682-T686 PolarHBondContact O-OG1 3.47Å; T682-T721 HydrophobicContact CG2-CG2 4.22Å |
| 683 | A | 84.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 35 Ų | 35 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | T640 S643 A679 C680 T686 H687 | T640-A683 HydrophobicContact CG2-CB 4.22Å; S643-A683 WeakPolarHBondContact OG-CB 3.33Å; A679-A683 PolarHBondContact O-N 3.46Å; C680-A683 PolarHBondContact O-N 2.85Å; A683-T686 PolarHBondContact O-N 3.2Å; A683-H687 PolarHBondContact O-CD2 3.17Å; A683-H687 PolarHBondContact O-N 2.94Å |
| 684 | L | 84.1 | Confident | 80.2 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 177.4 | -73.6 | 169.6 | 0 | 0 | 0 | 112.4 | L655 L662 C680 L681 T686 H688 | L655-L684 HydrophobicContact CD1-CD1 4.45Å; L655-L684 HydrophobicContact CD1-CD2 4.02Å; L662-L684 HydrophobicContact CD1-CD1 4.02Å; C680-L684 WeakPolarHBondContact O-CB 3.4Å; C680-L684 VanDerWaalsContact O-CG 3.28Å; C680-L684 WeakPolarHBondContact O-CG 3.47Å; C680-L684 PolarHBondContact O-N 3.34Å; L681-L684 PolarHBondContact O-N 3.27Å; L684-T686 VanDerWaalsContact C-N 3.33Å; L684-T686 PolarHBondContact O-N 3.33Å; L684-H688 WeakPolarHBondContact O-CA 3.28Å; L684-H688 WeakPolarHBondContact O-CB 3.43Å; L684-H688 PolarHBondContact O-N 3.21Å |
| 685 | V | 81.7 | Confident | 79.4 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -36.6 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L681 T682 A689 I692 L697 L722 C725 M726 A729 | L681-V685 WeakPolarHBondContact O-CB 3.06Å; L681-V685 VanDerWaalsContact O-CG2 3.28Å; L681-V685 WeakPolarHBondContact O-CG2 3.35Å; L681-V685 PolarHBondContact O-N 3.49Å; T682-V685 PolarHBondContact O-N 2.92Å; V685-A689 WeakPolarHBondContact O-CB 3.43Å; V685-I692 HydrophobicContact CG2-CD1 4.36Å; V685-L697 HydrophobicContact CG2-CD2 4.44Å; V685-L722 HydrophobicContact CG2-CD1 4.1Å; V685-C725 HydrophobicContact CG1-CB 4.07Å; V685-M726 HydrophobicContact CG1-CG 3.91Å; V685-M726 HydrophobicContact CG2-CG 4.22Å; V685-A729 HydrophobicContact CG1-CB 4.15Å |
| 686 | T | 80.9 | Confident | 78.5 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.9 | -42.4 | -177.7 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | T682 A683 L684 C725 | T682-T686 WeakPolarHBondContact O-CB 3.2Å; T682-T686 PolarHBondContact O-N 3.33Å; T682-T686 PolarHBondContact O-OG1 3.47Å; A683-T686 PolarHBondContact O-N 3.2Å; L684-T686 VanDerWaalsContact C-N 3.33Å; L684-T686 PolarHBondContact O-N 3.33Å; T686-C725 PolarHBondContact OG1-SG 2.91Å |
| 687 | H | 77.4 | Confident | 77.9 | Confident | 102 Ų | 102 | 38.7 Ų | 38.7 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -99.1 | -27.9 | -173.3 | -65.2 | -66.9 | 0 | 0 | 0 | 114.6 | S643 A683 | S643-H687 WeakPolarHBondContact O-CB 3.21Å; S643-H687 PolarHBondContact O-CD2 3.42Å; S643-H687 VanDerWaalsContact O-CD2 3.28Å; A683-H687 PolarHBondContact O-CD2 3.17Å; A683-H687 PolarHBondContact O-N 2.94Å |
| 688 | H | 72.8 | Confident | 77.4 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -116.1 | 21.3 | -174.5 | -59.6 | -74.6 | 0 | 0 | 0 | 114.1 | I649 L684 A690 S691 | I649-H688 PolarHBondContact O-CE1 3.4Å; L684-H688 WeakPolarHBondContact O-CA 3.28Å; L684-H688 WeakPolarHBondContact O-CB 3.43Å; L684-H688 PolarHBondContact O-N 3.21Å; H688-A690 VanDerWaalsContact C-N 3.26Å; H688-A690 PolarHBondContact O-N 3.21Å; H688-A690 VanDerWaalsContact O-N 3.13Å; H688-S691 PolarHBondContact O-N 2.94Å |
| 689 | A | 65.2 | Low | 77 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -46.1 | -44.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V685 S691 I692 A729 | V685-A689 WeakPolarHBondContact O-CB 3.43Å; A689-S691 PolarHBondContact O-N 2.99Å; A689-I692 PolarHBondContact O-N 3.15Å; A689-A729 HydrophobicContact CB-CB 3.72Å |
| 690 | A | 66.2 | Low | 76.7 | Confident | 107 Ų | 107 | 44 Ų | 44 | 88% | 0.884 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -65.2 | -23.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | H688 | H688-A690 VanDerWaalsContact C-N 3.26Å; H688-A690 PolarHBondContact O-N 3.21Å; H688-A690 VanDerWaalsContact O-N 3.13Å |
| 691 | S | 66.3 | Low | 76.3 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 39% | 0.392 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -91.7 | -10 | -177.4 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | H688 A689 | H688-S691 PolarHBondContact O-N 2.94Å; A689-S691 PolarHBondContact O-N 2.99Å |
| 692 | I | 71.2 | Confident | 76.1 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | trans | -90.8 | 116 | -174.7 | -61.4 | 167 | 0 | 0 | 0 | 110.1 | L655 L659 V685 A689 L697 | L655-I692 HydrophobicContact CD2-CB 4.45Å; L655-I692 HydrophobicContact CD2-CD1 4.38Å; L655-I692 HydrophobicContact CD2-CG1 3.41Å; L655-I692 VanDerWaalsContact CD2-CG1 3.41Å; L655-I692 HydrophobicContact CG-CG1 4.16Å; L659-I692 HydrophobicContact CD1-CG2 4.07Å; V685-I692 HydrophobicContact CG2-CD1 4.36Å; A689-I692 PolarHBondContact O-N 3.15Å; I692-L697 HydrophobicContact CG2-CD1 3.57Å; I692-L697 HydrophobicContact CG2-CD2 4.05Å; I692-L697 HydrophobicContact CG2-CG 3.53Å | ||
| 693 | K | 73.4 | Confident | 76 | Confident | 161 Ų | 161 | 47.1 Ų | 47.1 | 70% | 0.7 | 29% | 0.288 | S | S | * | . | trans | -71.9 | 138.9 | 169.8 | -68.2 | -178.2 | -178.7 | 175.9 | 0 | 110 | A695 A696 | K693-A695 PolarHBondContact O-N 3.26Å; K693-A695 VanDerWaalsContact O-N 3.1Å; K693-A696 WeakPolarHBondContact O-CB 3.43Å; K693-A696 PolarHBondContact O-N 3.42Å | ||
| 694 | P | 68.8 | Low | 76 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -51.4 | -36 | 178.4 | -31.5 | 36.7 | 0 | 0 | 0 | 115 | A696 L697 S733 | P694-A696 VanDerWaalsContact C-N 3.29Å; P694-A696 PolarHBondContact O-N 2.77Å; P694-L697 PolarHBondContact O-N 2.82Å; P694-S733 WeakPolarHBondContact CB-OG 3.36Å |
| 695 | A | 69.9 | Low | 76.1 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 62% | 0.62 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65.3 | -28 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K693 L697 | K693-A695 PolarHBondContact O-N 3.26Å; K693-A695 VanDerWaalsContact O-N 3.1Å; A695-L697 VanDerWaalsContact C-N 3.26Å; A695-L697 PolarHBondContact O-N 3.35Å |
| 696 | A | 72.4 | Confident | 76.2 | Confident | 18 Ų | 18 | 52.1 Ų | 52.1 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -75.2 | -16.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P656 L659 K693 P694 | P656-A696 HydrophobicContact CB-CB 4.45Å; L659-A696 WeakPolarHBondContact CB-O 3.34Å; L659-A696 HydrophobicContact CD1-CB 3.96Å; K693-A696 WeakPolarHBondContact O-CB 3.43Å; K693-A696 PolarHBondContact O-N 3.42Å; P694-A696 VanDerWaalsContact C-N 3.29Å; P694-A696 PolarHBondContact O-N 2.77Å |
| 697 | L | 75.2 | Confident | 76.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -90.5 | -15.7 | -179.8 | -73.5 | 166.1 | 0 | 0 | 0 | 113.4 | L659 V685 I692 P694 A695 P699 V700 L701 M726 | L659-L697 HydrophobicContact CD1-CD2 4.26Å; L659-L697 HydrophobicContact CD2-CD2 4.44Å; V685-L697 HydrophobicContact CG2-CD2 4.44Å; I692-L697 HydrophobicContact CG2-CD1 3.57Å; I692-L697 HydrophobicContact CG2-CD2 4.05Å; I692-L697 HydrophobicContact CG2-CG 3.53Å; P694-L697 PolarHBondContact O-N 2.82Å; A695-L697 VanDerWaalsContact C-N 3.26Å; A695-L697 PolarHBondContact O-N 3.35Å; L697-P699 VanDerWaalsContact C-CD 3.48Å; L697-V700 PolarHBondContact O-N 2.93Å; L697-V700 VanDerWaalsContact O-N 3.12Å; L697-L701 HydrophobicContact CB-CD1 4.15Å; L697-L701 VanDerWaalsContact O-CB 3.24Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 WeakPolarHBondContact O-CG 3.47Å; L697-L701 PolarHBondContact O-N 2.98Å; L697-M726 HydrophobicContact CB-CE 4.35Å; L697-M726 HydrophobicContact CD1-CE 4.05Å; L697-M726 HydrophobicContact CD2-CE 4.16Å; L697-M726 HydrophobicContact CG-CE 4.42Å |
| 698 | E | 78.6 | Confident | 76.7 | Confident | 102 Ų | 102 | 44.7 Ų | 44.7 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.3 | -41.9 | -176.4 | -170.3 | 160.6 | -137.7 | 0 | 0 | 114 | V700 L701 S702 K736 | E698-V700 VanDerWaalsContact C-N 3.3Å; E698-V700 PolarHBondContact O-N 3.26Å; E698-L701 PolarHBondContact O-N 3.28Å; E698-S702 PolarHBondContact O-N 2.97Å; E698-S702 VanDerWaalsContact O-N 3.07Å; E698-K736 IonicContact OE1-NZ 2.82Å; E698-K736 PolarHBondContact OE1-NZ 2.88Å |
| 699 | P | 79.9 | Confident | 77.2 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 31% | 0.312 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -24.1 | 177.5 | -19.9 | 33.1 | 0 | 0 | 0 | 114.6 | L697 S702 E703 | L697-P699 VanDerWaalsContact C-CD 3.48Å; P699-S702 PolarHBondContact O-OG 2.6Å; P699-E703 WeakPolarHBondContact O-CG 3.33Å |
| 700 | V | 81.9 | Confident | 78 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -80.1 | -45.2 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 109.1 | L659 L666 L681 L697 E698 S702 E703 I704 L722 | L659-V700 WeakPolarHBondContact O-CG2 3.45Å; L666-V700 HydrophobicContact CD1-CG1 4.21Å; L681-V700 HydrophobicContact CD1-CG1 3.63Å; L681-V700 HydrophobicContact CD1-CG2 4.32Å; L681-V700 HydrophobicContact CD2-CG1 4.32Å; L681-V700 HydrophobicContact CD2-CG2 3.93Å; L697-V700 PolarHBondContact O-N 2.93Å; L697-V700 VanDerWaalsContact O-N 3.12Å; E698-V700 VanDerWaalsContact C-N 3.3Å; E698-V700 PolarHBondContact O-N 3.26Å; V700-S702 VanDerWaalsContact C-N 3.35Å; V700-S702 PolarHBondContact O-N 2.92Å; V700-E703 PolarHBondContact O-N 3.08Å; V700-E703 VanDerWaalsContact O-N 3.08Å; V700-I704 HydrophobicContact CG1-CD1 4.3Å; V700-I704 PolarHBondContact O-N 3.1Å; V700-L722 HydrophobicContact CG1-CD2 4.42Å |
| 701 | L | 79.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62 | -35.3 | -177 | -90.9 | -178.3 | 0 | 0 | 0 | 113.6 | L697 E698 E703 I704 P705 M726 I737 | L697-L701 HydrophobicContact CB-CD1 4.15Å; L697-L701 VanDerWaalsContact O-CB 3.24Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 WeakPolarHBondContact O-CG 3.47Å; L697-L701 PolarHBondContact O-N 2.98Å; E698-L701 PolarHBondContact O-N 3.28Å; L701-E703 PolarHBondContact O-N 3.41Å; L701-I704 HydrophobicContact CD2-CD1 4.27Å; L701-P705 WeakPolarHBondContact O-CD 3.36Å; L701-M726 HydrophobicContact CD1-CE 3.96Å; L701-M726 HydrophobicContact CD2-CE 3.48Å; L701-M726 VanDerWaalsContact CD2-CE 3.48Å; L701-M726 HydrophobicContact CD2-SD 4.06Å; L701-M726 HydrophobicContact CG-CE 3.71Å; L701-I737 HydrophobicContact CB-CD1 3.38Å; L701-I737 HydrophobicContact CD1-CD1 4.05Å; L701-I737 HydrophobicContact CD2-CD1 4.07Å; L701-I737 HydrophobicContact CG-CD1 4.02Å |
| 702 | S | 82.8 | Confident | 79.7 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.3 | 174.1 | 62 | 0 | 0 | 0 | 0 | 113.7 | E698 P699 V700 | E698-S702 PolarHBondContact O-N 2.97Å; E698-S702 VanDerWaalsContact O-N 3.07Å; P699-S702 PolarHBondContact O-OG 2.6Å; V700-S702 VanDerWaalsContact C-N 3.35Å; V700-S702 PolarHBondContact O-N 2.92Å |
| 703 | E | 84.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.2 | -173.5 | -53 | -47.8 | 131.9 | 0 | 0 | 114.2 | L666 R667 P699 V700 L701 P706 L707 | L666-E703 HydrophobicContact CB-CB 3.92Å; L666-E703 HydrophobicContact CD1-CB 4.2Å; R667-E703 WeakPolarHBondContact CD-OE2 3.46Å; R667-E703 HydrophobicContact CG-CG 4.23Å; R667-E703 WeakPolarHBondContact CG-OE2 3.47Å; R667-E703 IonicContact CZ-OE1 2.73Å; R667-E703 VanDerWaalsContact CZ-OE1 3.25Å; R667-E703 IonicContact CZ-OE2 2.95Å; R667-E703 IonicContact NE-OE1 2.66Å; R667-E703 PolarHBondContact NE-OE1 2.95Å; R667-E703 VanDerWaalsContact NE-OE1 3.08Å; R667-E703 IonicContact NE-OE2 3.27Å; R667-E703 PolarHBondContact NE-OE2 3.22Å; R667-E703 IonicContact NH2-OE1 2.77Å; R667-E703 PolarHBondContact NH2-OE1 3.27Å; R667-E703 IonicContact NH2-OE2 2.96Å; P699-E703 WeakPolarHBondContact O-CG 3.33Å; V700-E703 PolarHBondContact O-N 3.08Å; V700-E703 VanDerWaalsContact O-N 3.08Å; L701-E703 PolarHBondContact O-N 3.41Å; E703-P706 WeakPolarHBondContact O-CD 3.09Å; E703-P706 WeakPolarHBondContact O-CG 3.34Å; E703-L707 WeakPolarHBondContact O-CG 3.48Å |
| 704 | I | 84.1 | Confident | 81 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -72.3 | -41.9 | 179.5 | -66.5 | 171.8 | 0 | 0 | 0 | 113.3 | V700 L701 L707 V708 L722 L723 | V700-I704 HydrophobicContact CG1-CD1 4.3Å; V700-I704 PolarHBondContact O-N 3.1Å; L701-I704 HydrophobicContact CD2-CD1 4.27Å; I704-L707 WeakPolarHBondContact O-CA 3.42Å; I704-L707 WeakPolarHBondContact O-CB 3.44Å; I704-L707 PolarHBondContact O-N 3.17Å; I704-V708 HydrophobicContact CG2-CG2 4.23Å; I704-V708 PolarHBondContact O-N 3.41Å; I704-L722 HydrophobicContact CD1-CD2 3.99Å; I704-L723 HydrophobicContact CD1-CD2 4.05Å; I704-L723 HydrophobicContact CD1-CG 4.47Å; I704-L723 HydrophobicContact CG2-CD1 3.82Å; I704-L723 HydrophobicContact CG2-CD2 4.15Å; I704-L723 HydrophobicContact CG2-CG 4.08Å |
| 705 | P | 85.4 | Confident | 82 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -51.8 | -45.5 | -178.4 | -26.3 | 33.7 | 0 | 0 | 0 | 115.6 | L701 L707 V708 I737 V741 | L701-P705 WeakPolarHBondContact O-CD 3.36Å; P705-L707 PolarHBondContact O-N 2.77Å; P705-V708 PolarHBondContact O-N 3.32Å; P705-I737 HydrophobicContact CG-CG2 4.23Å; P705-V741 HydrophobicContact CG-CG2 4.06Å |
| 706 | P | 84.3 | Confident | 82.8 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 60% | 0.604 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -70.9 | -11.2 | 177.3 | 29.3 | -36.7 | 0 | 0 | 0 | 114 | E703 | E703-P706 WeakPolarHBondContact O-CD 3.09Å; E703-P706 WeakPolarHBondContact O-CG 3.34Å |
| 707 | L | 83.6 | Confident | 83.6 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -87.4 | -16.7 | 175.9 | -59.7 | 177.2 | 0 | 0 | 0 | 113 | L666 K674 L678 E703 I704 P705 D709 V715 S716 | L666-L707 HydrophobicContact CB-CD1 4.13Å; L666-L707 HydrophobicContact CD1-CD1 4.18Å; L666-L707 HydrophobicContact CD2-CD1 4.04Å; L666-L707 HydrophobicContact CG-CD1 4.33Å; K674-L707 HydrophobicContact CD-CD2 4.2Å; L678-L707 HydrophobicContact CD1-CD1 4.38Å; L678-L707 HydrophobicContact CD2-CD1 4.14Å; E703-L707 WeakPolarHBondContact O-CG 3.48Å; I704-L707 WeakPolarHBondContact O-CA 3.42Å; I704-L707 WeakPolarHBondContact O-CB 3.44Å; I704-L707 PolarHBondContact O-N 3.17Å; P705-L707 PolarHBondContact O-N 2.77Å; L707-D709 PolarHBondContact O-N 3.32Å; L707-V715 HydrophobicContact CB-CG1 4.14Å; L707-V715 HydrophobicContact CD2-CG1 4.16Å; L707-S716 PolarHBondContact O-OG 2.95Å; L707-S716 VanDerWaalsContact O-OG 3.07Å |
| 708 | V | 83.9 | Confident | 84.2 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -90.6 | 80.5 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | I704 P705 I720 V745 L748 | I704-V708 HydrophobicContact CG2-CG2 4.23Å; I704-V708 PolarHBondContact O-N 3.41Å; P705-V708 PolarHBondContact O-N 3.32Å; V708-I720 HydrophobicContact CG1-CD1 4.41Å; V708-V745 HydrophobicContact CG1-CG2 4.13Å; V708-L748 HydrophobicContact CG1-CD2 4.45Å |
| 709 | D | 83.8 | Confident | 84.6 | Confident | 80 Ų | 80 | 38 Ų | 38 | 43% | 0.428 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -136.6 | 161.7 | -178.2 | -172.9 | 34.5 | 0 | 0 | 0 | 111.4 | L707 S711 S716 | L707-D709 PolarHBondContact O-N 3.32Å; D709-S711 VanDerWaalsContact C-N 3.27Å; D709-S711 PolarHBondContact O-N 2.93Å; D709-S711 WeakPolarHBondContact OD2-CB 3.31Å; D709-S711 PolarHBondContact OD2-OG 3.09Å; D709-S716 PolarHBondContact N-OG 3.35Å; D709-S716 VanDerWaalsContact N-OG 3.11Å; D709-S716 PolarHBondContact O-OG 2.88Å |
| 710 | E | 81.2 | Confident | 85 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 34% | 0.341 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -74.3 | -19.4 | -179.7 | -59.7 | -173.9 | -159.6 | 0 | 0 | 112.5 | L748 S751 | E710-L748 HydrophobicContact CG-CD1 4.09Å; E710-S751 WeakPolarHBondContact OE2-CB 3.31Å; E710-S751 PolarHBondContact OE2-OG 2.98Å |
| 711 | S | 83.3 | Confident | 85.2 | Confident | 103 Ų | 103 | 38 Ų | 38 | 72% | 0.72 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -66.3 | -36.3 | -176.2 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | D709 | D709-S711 VanDerWaalsContact C-N 3.27Å; D709-S711 PolarHBondContact O-N 2.93Å; D709-S711 WeakPolarHBondContact OD2-CB 3.31Å; D709-S711 PolarHBondContact OD2-OG 3.09Å |
| 712 | D | 84.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | trans | -133.8 | 89.3 | 174.9 | -166.3 | -19.4 | 0 | 0 | 0 | 111.6 | R671 H714 V715 S716 | R671-D712 IonicContact CZ-OD1 2.86Å; R671-D712 IonicContact CZ-OD2 3.22Å; R671-D712 IonicContact NE-OD1 3.58Å; R671-D712 IonicContact NE-OD2 2.64Å; R671-D712 PolarHBondContact NE-OD2 3.43Å; R671-D712 IonicContact NH2-OD1 3.06Å; R671-D712 PolarHBondContact NH2-OD1 3.45Å; R671-D712 VanDerWaalsContact NH2-OD1 3.15Å; R671-D712 IonicContact NH2-OD2 3.26Å; D712-H714 PolarHBondContact O-N 2.96Å; D712-H714 VanDerWaalsContact O-N 3.17Å; D712-H714 PolarHBondContact OD1-N 2.87Å; D712-V715 HydrophobicContact CB-CB 4.15Å; D712-V715 HydrophobicContact CB-CG2 4.19Å; D712-V715 PolarHBondContact O-N 3.31Å; D712-V715 VanDerWaalsContact O-N 3.17Å; D712-V715 PolarHBondContact OD1-N 3.37Å; D712-V715 VanDerWaalsContact OD2-CG2 3.25Å; D712-V715 WeakPolarHBondContact OD2-CG2 3.23Å; D712-S716 PolarHBondContact O-N 3.29Å; D712-S716 PolarHBondContact O-OG 3.45Å | ||
| 713 | M | 85.1 | Confident | 85.6 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 20% | 0.197 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -31.1 | -178.1 | -167.2 | 61.4 | 66.3 | 0 | 0 | 113.5 | Q717 L748 L753 L754 A758 | M713-Q717 WeakPolarHBondContact O-CB 3.43Å; M713-Q717 PolarHBondContact O-N 3.32Å; M713-L748 HydrophobicContact CE-CD1 3.89Å; M713-L748 HydrophobicContact SD-CD1 4.04Å; M713-L748 HydrophobicContact SD-CD2 4.4Å; M713-L748 HydrophobicContact SD-CG 4.44Å; M713-L753 HydrophobicContact CE-CB 4.05Å; M713-L754 HydrophobicContact CE-CD1 4.44Å; M713-L754 HydrophobicContact SD-CD1 3.95Å; M713-A758 HydrophobicContact CG-CB 3.63Å; M713-A758 HydrophobicContact SD-CB 3.4Å; M713-A758 WeakPolarHBondContact SD-CB 3.4Å |
| 714 | H | 88.2 | Confident | 85.7 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 39% | 0.394 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -73.6 | -41.4 | 179.8 | -178.1 | -134.1 | 0 | 0 | 0 | 111.5 | L675 D712 S716 Q717 V718 | L675-H714 WeakPolarHBondContact CD1-ND1 3.42Å; L675-H714 WeakPolarHBondContact CD2-ND1 3.29Å; D712-H714 PolarHBondContact O-N 2.96Å; D712-H714 VanDerWaalsContact O-N 3.17Å; D712-H714 PolarHBondContact OD1-N 2.87Å; H714-S716 VanDerWaalsContact C-N 3.33Å; H714-Q717 PolarHBondContact O-N 3.49Å; H714-V718 WeakPolarHBondContact O-CG2 3.35Å; H714-V718 PolarHBondContact O-N 3.29Å; H714-V718 VanDerWaalsContact O-N 3.08Å |
| 715 | V | 88.4 | Confident | 85.6 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L675 L678 L707 D712 V718 S719 | L675-V715 HydrophobicContact CD2-CB 4.37Å; L675-V715 HydrophobicContact CD2-CG2 3.64Å; L675-V715 HydrophobicContact CG-CG2 4.04Å; L678-V715 HydrophobicContact CD1-CG1 4.02Å; L707-V715 HydrophobicContact CB-CG1 4.14Å; L707-V715 HydrophobicContact CD2-CG1 4.16Å; D712-V715 HydrophobicContact CB-CB 4.15Å; D712-V715 HydrophobicContact CB-CG2 4.19Å; D712-V715 PolarHBondContact O-N 3.31Å; D712-V715 VanDerWaalsContact O-N 3.17Å; D712-V715 PolarHBondContact OD1-N 3.37Å; D712-V715 VanDerWaalsContact OD2-CG2 3.25Å; D712-V715 WeakPolarHBondContact OD2-CG2 3.23Å; V715-V718 PolarHBondContact O-N 3.05Å; V715-S719 VanDerWaalsContact O-CB 3.3Å; V715-S719 WeakPolarHBondContact O-CB 3.38Å; V715-S719 PolarHBondContact O-N 2.97Å; V715-S719 PolarHBondContact O-OG 3.38Å |
| 716 | S | 86.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 173.8 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | L707 D709 D712 H714 V718 S719 I720 | L707-S716 PolarHBondContact O-OG 2.95Å; L707-S716 VanDerWaalsContact O-OG 3.07Å; D709-S716 PolarHBondContact N-OG 3.35Å; D709-S716 VanDerWaalsContact N-OG 3.11Å; D709-S716 PolarHBondContact O-OG 2.88Å; D712-S716 PolarHBondContact O-N 3.29Å; D712-S716 PolarHBondContact O-OG 3.45Å; H714-S716 VanDerWaalsContact C-N 3.33Å; S716-V718 PolarHBondContact O-N 3.35Å; S716-S719 PolarHBondContact O-N 3.44Å; S716-I720 WeakPolarHBondContact O-CB 3.41Å; S716-I720 WeakPolarHBondContact O-CD1 3.32Å; S716-I720 WeakPolarHBondContact O-CG1 3.26Å; S716-I720 PolarHBondContact O-N 2.77Å |
| 717 | Q | 89.8 | Confident | 85 | Confident | 60 Ų | 60 | 29.6 Ų | 29.6 | 28% | 0.28 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55 | -54 | 176.4 | 178.2 | -177.5 | -18.8 | 0 | 0 | 111.9 | M713 H714 S719 I720 T721 G757 A758 A761 | M713-Q717 WeakPolarHBondContact O-CB 3.43Å; M713-Q717 PolarHBondContact O-N 3.32Å; H714-Q717 PolarHBondContact O-N 3.49Å; Q717-S719 VanDerWaalsContact C-N 3.32Å; Q717-S719 PolarHBondContact O-N 3.4Å; Q717-I720 PolarHBondContact O-N 3.45Å; Q717-T721 PolarHBondContact O-N 3.06Å; Q717-T721 PolarHBondContact O-OG1 3.4Å; Q717-T721 VanDerWaalsContact O-OG1 3.05Å; Q717-G757 VanDerWaalsContact CD-C 3.42Å; Q717-A758 HydrophobicContact CB-CB 4.04Å; Q717-A761 HydrophobicContact CG-CB 4.05Å |
| 718 | V | 87.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | -177.1 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | L675 L678 H714 V715 S716 I720 T721 L722 | L675-V718 HydrophobicContact CD2-CG2 4.23Å; L678-V718 HydrophobicContact CB-CB 4.41Å; L678-V718 HydrophobicContact CB-CG1 3.61Å; L678-V718 HydrophobicContact CD1-CB 4.41Å; L678-V718 HydrophobicContact CD1-CG1 4.47Å; H714-V718 WeakPolarHBondContact O-CG2 3.35Å; H714-V718 PolarHBondContact O-N 3.29Å; H714-V718 VanDerWaalsContact O-N 3.08Å; V715-V718 PolarHBondContact O-N 3.05Å; S716-V718 PolarHBondContact O-N 3.35Å; V718-I720 VanDerWaalsContact C-N 3.33Å; V718-I720 PolarHBondContact O-N 3.21Å; V718-T721 PolarHBondContact O-N 3.18Å; V718-L722 PolarHBondContact O-N 2.82Å |
| 719 | S | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 174.4 | -58 | 0 | 0 | 0 | 0 | 111.7 | L678 V715 S716 Q717 L722 L723 | L678-S719 VanDerWaalsContact CD1-OG 3.26Å; L678-S719 WeakPolarHBondContact CD1-OG 3.39Å; V715-S719 VanDerWaalsContact O-CB 3.3Å; V715-S719 WeakPolarHBondContact O-CB 3.38Å; V715-S719 PolarHBondContact O-N 2.97Å; V715-S719 PolarHBondContact O-OG 3.38Å; S716-S719 PolarHBondContact O-N 3.44Å; Q717-S719 VanDerWaalsContact C-N 3.32Å; Q717-S719 PolarHBondContact O-N 3.4Å; S719-L722 WeakPolarHBondContact O-CB 3.36Å; S719-L722 PolarHBondContact O-N 3.5Å; S719-L723 WeakPolarHBondContact O-CG 3.32Å; S719-L723 PolarHBondContact O-N 3.02Å |
| 720 | I | 86.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.9 | -35.9 | 177.3 | -65.4 | 164 | 0 | 0 | 0 | 111 | V708 S716 Q717 V718 L722 L723 T724 L748 A761 I762 F765 | V708-I720 HydrophobicContact CG1-CD1 4.41Å; S716-I720 WeakPolarHBondContact O-CB 3.41Å; S716-I720 WeakPolarHBondContact O-CD1 3.32Å; S716-I720 WeakPolarHBondContact O-CG1 3.26Å; S716-I720 PolarHBondContact O-N 2.77Å; Q717-I720 PolarHBondContact O-N 3.45Å; V718-I720 VanDerWaalsContact C-N 3.33Å; V718-I720 PolarHBondContact O-N 3.21Å; I720-L722 VanDerWaalsContact C-N 3.34Å; I720-L722 PolarHBondContact O-N 3.17Å; I720-L723 PolarHBondContact O-N 3.29Å; I720-T724 WeakPolarHBondContact O-CB 2.94Å; I720-T724 PolarHBondContact O-N 3.38Å; I720-T724 PolarHBondContact O-OG1 3.18Å; I720-L748 HydrophobicContact CD1-CD2 3.76Å; I720-A761 HydrophobicContact CB-CB 4.41Å; I720-A761 HydrophobicContact CG2-CB 4.11Å; I720-A761 WeakPolarHBondContact CG2-O 3.38Å; I720-I762 HydrophobicContact CD1-CD1 4.27Å; I720-I762 HydrophobicContact CD1-CG1 3.65Å; I720-I762 HydrophobicContact CG2-CG1 4.26Å; I720-F765 HydrophobicContact CG2-CB 3.68Å; I720-F765 HydrophobicContact CG2-CG 4.14Å |
| 721 | T | 87.1 | Confident | 83.2 | Confident | 51 Ų | 51 | 33.3 Ų | 33.3 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 170.8 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | T682 Q717 V718 L723 T724 C725 | T682-T721 HydrophobicContact CG2-CG2 4.22Å; Q717-T721 PolarHBondContact O-N 3.06Å; Q717-T721 PolarHBondContact O-OG1 3.4Å; Q717-T721 VanDerWaalsContact O-OG1 3.05Å; V718-T721 PolarHBondContact O-N 3.18Å; T721-L723 PolarHBondContact O-N 3.37Å; T721-T724 WeakPolarHBondContact O-CB 3.41Å; T721-T724 PolarHBondContact O-N 3.46Å; T721-C725 PolarHBondContact O-N 3.19Å |
| 722 | L | 85.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 173.5 | 175.3 | 61.4 | 0 | 0 | 0 | 111.1 | L678 L681 V685 V700 I704 V718 S719 I720 T724 C725 M726 | L678-L722 HydrophobicContact CD2-CD2 3.99Å; L681-L722 HydrophobicContact CB-CD1 3.87Å; L681-L722 HydrophobicContact CB-CD2 3.91Å; L681-L722 HydrophobicContact CD1-CD2 4.15Å; V685-L722 HydrophobicContact CG2-CD1 4.1Å; V700-L722 HydrophobicContact CG1-CD2 4.42Å; I704-L722 HydrophobicContact CD1-CD2 3.99Å; V718-L722 PolarHBondContact O-N 2.82Å; S719-L722 WeakPolarHBondContact O-CB 3.36Å; S719-L722 PolarHBondContact O-N 3.5Å; I720-L722 VanDerWaalsContact C-N 3.34Å; I720-L722 PolarHBondContact O-N 3.17Å; L722-T724 VanDerWaalsContact C-N 3.27Å; L722-T724 PolarHBondContact O-N 2.9Å; L722-C725 PolarHBondContact O-N 3.36Å; L722-M726 HydrophobicContact CD1-CG 4.32Å; L722-M726 HydrophobicContact CD1-SD 4.34Å; L722-M726 HydrophobicContact CG-SD 4.13Å; L722-M726 VanDerWaalsContact O-CG 3.29Å; L722-M726 WeakPolarHBondContact O-CG 3.41Å; L722-M726 PolarHBondContact O-N 2.95Å |
| 723 | L | 84.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 176.9 | -71.1 | 166.8 | 0 | 0 | 0 | 112.4 | I704 S719 I720 T721 M726 A727 L734 V741 F765 | I704-L723 HydrophobicContact CD1-CD2 4.05Å; I704-L723 HydrophobicContact CD1-CG 4.47Å; I704-L723 HydrophobicContact CG2-CD1 3.82Å; I704-L723 HydrophobicContact CG2-CD2 4.15Å; I704-L723 HydrophobicContact CG2-CG 4.08Å; S719-L723 WeakPolarHBondContact O-CG 3.32Å; S719-L723 PolarHBondContact O-N 3.02Å; I720-L723 PolarHBondContact O-N 3.29Å; T721-L723 PolarHBondContact O-N 3.37Å; L723-M726 PolarHBondContact O-N 3.18Å; L723-A727 WeakPolarHBondContact O-CB 3.06Å; L723-A727 PolarHBondContact O-N 2.94Å; L723-L734 HydrophobicContact CD2-CD1 4.12Å; L723-V741 HydrophobicContact CD1-CG1 3.46Å; L723-V741 VanDerWaalsContact CD1-CG1 3.46Å; L723-V741 HydrophobicContact CD2-CG1 4.48Å; L723-F765 HydrophobicContact CB-CD2 3.84Å; L723-F765 HydrophobicContact CB-CE2 3.65Å; L723-F765 HydrophobicContact CB-CZ 4.42Å |
| 724 | T | 85.4 | Confident | 80.8 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 175.1 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | I720 T721 L722 M726 A727 K728 D764 F765 A768 | I720-T724 WeakPolarHBondContact O-CB 2.94Å; I720-T724 PolarHBondContact O-N 3.38Å; I720-T724 PolarHBondContact O-OG1 3.18Å; T721-T724 WeakPolarHBondContact O-CB 3.41Å; T721-T724 PolarHBondContact O-N 3.46Å; L722-T724 VanDerWaalsContact C-N 3.27Å; L722-T724 PolarHBondContact O-N 2.9Å; T724-M726 VanDerWaalsContact C-N 3.33Å; T724-M726 PolarHBondContact O-N 3.25Å; T724-A727 PolarHBondContact O-N 3.37Å; T724-K728 WeakPolarHBondContact O-CG 3.33Å; T724-K728 PolarHBondContact O-N 3.26Å; T724-K728 VanDerWaalsContact O-N 3.17Å; T724-D764 HydrophobicContact CG2-CB 4.13Å; T724-F765 VanDerWaalsContact OG1-CA 3.24Å; T724-F765 WeakPolarHBondContact OG1-CA 3.39Å; T724-F765 VanDerWaalsContact OG1-CB 3.27Å; T724-F765 WeakPolarHBondContact OG1-CB 3.33Å; T724-F765 PolarHBondContact OG1-N 2.98Å; T724-A768 HydrophobicContact CG2-CB 3.98Å |
| 725 | C | 82 | Confident | 79.7 | Confident | 27 Ų | 27 | 27.2 Ų | 27.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 174.9 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | V685 T686 T721 L722 A727 K728 A729 | V685-C725 HydrophobicContact CG1-CB 4.07Å; T686-C725 PolarHBondContact OG1-SG 2.91Å; T721-C725 PolarHBondContact O-N 3.19Å; L722-C725 PolarHBondContact O-N 3.36Å; C725-A727 PolarHBondContact O-N 3.13Å; C725-K728 PolarHBondContact O-N 3.31Å; C725-A729 VanDerWaalsContact O-CB 3.23Å; C725-A729 WeakPolarHBondContact O-CB 3.43Å; C725-A729 PolarHBondContact O-N 2.86Å |
| 726 | M | 80.5 | Confident | 78.7 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 176.1 | -67 | -179.1 | 75.7 | 0 | 0 | 112.5 | V685 L697 L701 L722 L723 T724 K728 A729 C730 | V685-M726 HydrophobicContact CG1-CG 3.91Å; V685-M726 HydrophobicContact CG2-CG 4.22Å; L697-M726 HydrophobicContact CB-CE 4.35Å; L697-M726 HydrophobicContact CD1-CE 4.05Å; L697-M726 HydrophobicContact CD2-CE 4.16Å; L697-M726 HydrophobicContact CG-CE 4.42Å; L701-M726 HydrophobicContact CD1-CE 3.96Å; L701-M726 HydrophobicContact CD2-CE 3.48Å; L701-M726 VanDerWaalsContact CD2-CE 3.48Å; L701-M726 HydrophobicContact CD2-SD 4.06Å; L701-M726 HydrophobicContact CG-CE 3.71Å; L722-M726 HydrophobicContact CD1-CG 4.32Å; L722-M726 HydrophobicContact CD1-SD 4.34Å; L722-M726 HydrophobicContact CG-SD 4.13Å; L722-M726 VanDerWaalsContact O-CG 3.29Å; L722-M726 WeakPolarHBondContact O-CG 3.41Å; L722-M726 PolarHBondContact O-N 2.95Å; L723-M726 PolarHBondContact O-N 3.18Å; T724-M726 VanDerWaalsContact C-N 3.33Å; T724-M726 PolarHBondContact O-N 3.25Å; M726-K728 VanDerWaalsContact C-N 3.32Å; M726-K728 PolarHBondContact O-N 3.26Å; M726-A729 PolarHBondContact O-N 3.23Å; M726-C730 CarbonylContact O-C 3.06Å; M726-C730 VanDerWaalsContact O-C 3.27Å; M726-C730 WeakPolarHBondContact O-CA 3.31Å; M726-C730 PolarHBondContact O-N 3.49Å |
| 727 | A | 77.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L723 T724 C725 L734 A768 S772 | L723-A727 WeakPolarHBondContact O-CB 3.06Å; L723-A727 PolarHBondContact O-N 2.94Å; T724-A727 PolarHBondContact O-N 3.37Å; C725-A727 PolarHBondContact O-N 3.13Å; A727-L734 HydrophobicContact CB-CD2 3.63Å; A727-A768 HydrophobicContact CB-CB 4.06Å; A727-S772 PolarHBondContact O-OG 2.68Å |
| 728 | K | 78.5 | Confident | 76.3 | Confident | 151 Ų | 151 | 33.1 Ų | 33.1 | 66% | 0.657 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -75.7 | -39.1 | 176.7 | -68.2 | 177.3 | -178.2 | 175.7 | 0 | 112.5 | T724 C725 M726 A768 | T724-K728 WeakPolarHBondContact O-CG 3.33Å; T724-K728 PolarHBondContact O-N 3.26Å; T724-K728 VanDerWaalsContact O-N 3.17Å; C725-K728 PolarHBondContact O-N 3.31Å; M726-K728 VanDerWaalsContact C-N 3.32Å; M726-K728 PolarHBondContact O-N 3.26Å; K728-A768 HydrophobicContact CG-CB 3.99Å |
| 729 | A | 74.6 | Confident | 75.5 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -98.9 | -35.8 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V685 A689 C725 M726 | V685-A729 HydrophobicContact CG1-CB 4.15Å; A689-A729 HydrophobicContact CB-CB 3.72Å; C725-A729 VanDerWaalsContact O-CB 3.23Å; C725-A729 WeakPolarHBondContact O-CB 3.43Å; C725-A729 PolarHBondContact O-N 2.86Å; M726-A729 PolarHBondContact O-N 3.23Å |
| 730 | C | 70.9 | Confident | 74.9 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | trans | -137.9 | 72.3 | -176.8 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | M726 S732 S733 | M726-C730 CarbonylContact O-C 3.06Å; M726-C730 VanDerWaalsContact O-C 3.27Å; M726-C730 WeakPolarHBondContact O-CA 3.31Å; M726-C730 PolarHBondContact O-N 3.49Å; C730-S732 VanDerWaalsContact C-N 3.33Å; C730-S732 PolarHBondContact O-N 2.97Å; C730-S733 PolarHBondContact O-N 3.18Å | ||
| 731 | P | 70.6 | Confident | 74.5 | Confident | 45 Ų | 45 | 38.7 Ų | 38.7 | 29% | 0.292 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.5 | -35.3 | -174.5 | -27.9 | 36.7 | 0 | 0 | 0 | 115.7 | S733 L734 S772 A774 | P731-S733 PolarHBondContact O-N 3.32Å; P731-L734 PolarHBondContact O-N 3.25Å; P731-S772 VanDerWaalsContact CB-OG 3.23Å; P731-S772 WeakPolarHBondContact CB-OG 3.48Å; P731-S772 WeakPolarHBondContact CG-OG 3.45Å; P731-A774 HydrophobicContact CB-CB 3.39Å |
| 732 | S | 69.3 | Low | 74.1 | Confident | 84 Ų | 84 | 36.6 Ų | 36.6 | 59% | 0.587 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.4 | -32 | -174.8 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | C730 | C730-S732 VanDerWaalsContact C-N 3.33Å; C730-S732 PolarHBondContact O-N 2.97Å |
| 733 | S | 66.9 | Low | 73.9 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.6 | -29.9 | 178.5 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | P694 C730 P731 A735 | P694-S733 WeakPolarHBondContact CB-OG 3.36Å; C730-S733 PolarHBondContact O-N 3.18Å; P731-S733 PolarHBondContact O-N 3.32Å; S733-A735 VanDerWaalsContact C-N 3.31Å; S733-A735 PolarHBondContact O-N 3.46Å |
| 734 | L | 66.4 | Low | 73.7 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -28.8 | -178.7 | -171.7 | 65.1 | 0 | 0 | 0 | 112.4 | L723 A727 P731 K736 I737 S738 L769 | L723-L734 HydrophobicContact CD2-CD1 4.12Å; A727-L734 HydrophobicContact CB-CD2 3.63Å; P731-L734 PolarHBondContact O-N 3.25Å; L734-K736 PolarHBondContact O-N 3.45Å; L734-K736 VanDerWaalsContact O-N 3.16Å; L734-I737 PolarHBondContact O-N 3.45Å; L734-S738 PolarHBondContact O-N 2.88Å; L734-S738 VanDerWaalsContact O-N 3.12Å; L734-L769 HydrophobicContact CD2-CD1 3.69Å |
| 735 | A | 66.3 | Low | 73.6 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 34% | 0.339 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S733 I737 S738 T775 | S733-A735 VanDerWaalsContact C-N 3.31Å; S733-A735 PolarHBondContact O-N 3.46Å; A735-I737 VanDerWaalsContact C-N 3.33Å; A735-I737 PolarHBondContact O-N 3Å; A735-S738 PolarHBondContact O-OG 3.34Å; A735-T775 HydrophobicContact CB-CG2 3.96Å |
| 736 | K | 65.9 | Low | 73.6 | Confident | 151 Ų | 151 | 40.1 Ų | 40.1 | 66% | 0.657 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.3 | -178.6 | -69.7 | -177.2 | 174.7 | -175.8 | 0 | 114.4 | E698 L734 | E698-K736 IonicContact OE1-NZ 2.82Å; E698-K736 PolarHBondContact OE1-NZ 2.88Å; L734-K736 PolarHBondContact O-N 3.45Å; L734-K736 VanDerWaalsContact O-N 3.16Å |
| 737 | I | 62.3 | Low | 73.8 | Confident | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -2.4 | -166.1 | -65.1 | 161.3 | 0 | 0 | 0 | 112.2 | L701 P705 L734 A735 S739 S740 V741 | L701-I737 HydrophobicContact CB-CD1 3.38Å; L701-I737 HydrophobicContact CD1-CD1 4.05Å; L701-I737 HydrophobicContact CD2-CD1 4.07Å; L701-I737 HydrophobicContact CG-CD1 4.02Å; P705-I737 HydrophobicContact CG-CG2 4.23Å; L734-I737 PolarHBondContact O-N 3.45Å; A735-I737 VanDerWaalsContact C-N 3.33Å; A735-I737 PolarHBondContact O-N 3Å; I737-S739 PolarHBondContact O-N 2.88Å; I737-S739 VanDerWaalsContact O-N 3.1Å; I737-S740 PolarHBondContact O-N 2.92Å; I737-S740 PolarHBondContact O-OG 3.34Å; I737-V741 HydrophobicContact CG2-CB 4.46Å; I737-V741 HydrophobicContact CG2-CG2 3.46Å; I737-V741 VanDerWaalsContact CG2-CG2 3.46Å; I737-V741 PolarHBondContact O-N 3.27Å; I737-V741 VanDerWaalsContact O-N 3.08Å |
| 738 | S | 64.3 | Low | 74.1 | Confident | 15 Ų | 15 | 47 Ų | 47 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -47.4 | -40.5 | 173.9 | 59.2 | 0 | 0 | 0 | 0 | 113 | L734 A735 L742 | L734-S738 PolarHBondContact O-N 2.88Å; L734-S738 VanDerWaalsContact O-N 3.12Å; A735-S738 PolarHBondContact O-OG 3.34Å; S738-L742 WeakPolarHBondContact O-CB 3.46Å; S738-L742 VanDerWaalsContact O-CD1 3.26Å; S738-L742 WeakPolarHBondContact O-CD1 3.41Å; S738-L742 WeakPolarHBondContact O-CG 3.45Å; S738-L742 PolarHBondContact O-N 3.28Å |
| 739 | S | 71.5 | Confident | 74.3 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 63% | 0.629 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.2 | -44.5 | -178.8 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | I737 S743 | I737-S739 PolarHBondContact O-N 2.88Å; I737-S739 VanDerWaalsContact O-N 3.1Å; S739-S743 PolarHBondContact O-N 2.99Å |
| 740 | S | 75.6 | Confident | 74.7 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -76.4 | -41 | -178.4 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | I737 S743 G744 | I737-S740 PolarHBondContact O-N 2.92Å; I737-S740 PolarHBondContact O-OG 3.34Å; S740-S743 PolarHBondContact O-N 3.5Å; S740-S743 PolarHBondContact O-OG 3.43Å; S740-G744 PolarHBondContact O-N 3.02Å |
| 741 | V | 78.1 | Confident | 75.3 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.9 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | P705 L723 I737 S743 G744 V745 | P705-V741 HydrophobicContact CG-CG2 4.06Å; L723-V741 HydrophobicContact CD1-CG1 3.46Å; L723-V741 VanDerWaalsContact CD1-CG1 3.46Å; L723-V741 HydrophobicContact CD2-CG1 4.48Å; I737-V741 HydrophobicContact CG2-CB 4.46Å; I737-V741 HydrophobicContact CG2-CG2 3.46Å; I737-V741 VanDerWaalsContact CG2-CG2 3.46Å; I737-V741 PolarHBondContact O-N 3.27Å; I737-V741 VanDerWaalsContact O-N 3.08Å; V741-S743 VanDerWaalsContact C-N 3.26Å; V741-S743 PolarHBondContact O-N 2.98Å; V741-G744 PolarHBondContact O-N 3Å; V741-G744 VanDerWaalsContact O-N 3.09Å; V741-V745 HydrophobicContact CG1-CG2 4.14Å; V741-V745 WeakPolarHBondContact O-CG2 3.13Å; V741-V745 PolarHBondContact O-N 3.11Å |
| 742 | L | 78.9 | Confident | 76 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 178.4 | -75 | 170 | 0 | 0 | 0 | 111.8 | S738 G744 V745 F746 F765 L769 L777 L782 | S738-L742 WeakPolarHBondContact O-CB 3.46Å; S738-L742 VanDerWaalsContact O-CD1 3.26Å; S738-L742 WeakPolarHBondContact O-CD1 3.41Å; S738-L742 WeakPolarHBondContact O-CG 3.45Å; S738-L742 PolarHBondContact O-N 3.28Å; L742-G744 VanDerWaalsContact C-N 3.31Å; L742-G744 PolarHBondContact O-N 2.98Å; L742-V745 PolarHBondContact O-N 3.35Å; L742-F746 HydrophobicContact CB-CD2 4.35Å; L742-F746 HydrophobicContact CB-CE2 3.92Å; L742-F746 HydrophobicContact CB-CZ 4.4Å; L742-F746 HydrophobicContact CD2-CZ 4.34Å; L742-F746 WeakPolarHBondContact O-CB 3.23Å; L742-F746 WeakPolarHBondContact O-CD2 3.33Å; L742-F746 WeakPolarHBondContact O-CG 3.18Å; L742-F746 PolarHBondContact O-N 2.81Å; L742-F765 HydrophobicContact CD2-CE1 4.26Å; L742-L769 HydrophobicContact CD1-CD2 4.5Å; L742-L769 HydrophobicContact CD2-CD2 4.11Å; L742-L777 HydrophobicContact CD1-CD1 3.57Å; L742-L782 HydrophobicContact CD1-CD2 4.15Å; L742-L782 HydrophobicContact CD2-CD2 4.31Å |
| 743 | S | 81.8 | Confident | 76.7 | Confident | 62 Ų | 62 | 41.3 Ų | 41.3 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 174.7 | 79 | 0 | 0 | 0 | 0 | 112.7 | S739 S740 V741 K747 | S739-S743 PolarHBondContact O-N 2.99Å; S740-S743 PolarHBondContact O-N 3.5Å; S740-S743 PolarHBondContact O-OG 3.43Å; V741-S743 VanDerWaalsContact C-N 3.26Å; V741-S743 PolarHBondContact O-N 2.98Å; S743-K747 WeakPolarHBondContact O-CG 3.49Å; S743-K747 PolarHBondContact O-N 2.94Å |
| 744 | G | 80.5 | Confident | 77.5 | Confident | 12 Ų | 12 | 41 Ų | 41 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.2 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | S740 V741 L742 F746 K747 L748 | S740-G744 PolarHBondContact O-N 3.02Å; V741-G744 PolarHBondContact O-N 3Å; V741-G744 VanDerWaalsContact O-N 3.09Å; L742-G744 VanDerWaalsContact C-N 3.31Å; L742-G744 PolarHBondContact O-N 2.98Å; G744-F746 PolarHBondContact O-N 2.93Å; G744-K747 PolarHBondContact O-N 3.37Å; G744-L748 PolarHBondContact O-N 3.31Å |
| 745 | V | 82.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.4 | V708 V741 L742 L748 I749 I762 F765 | V708-V745 HydrophobicContact CG1-CG2 4.13Å; V741-V745 HydrophobicContact CG1-CG2 4.14Å; V741-V745 WeakPolarHBondContact O-CG2 3.13Å; V741-V745 PolarHBondContact O-N 3.11Å; L742-V745 PolarHBondContact O-N 3.35Å; V745-L748 WeakPolarHBondContact O-CB 3.44Å; V745-L748 PolarHBondContact O-N 3.47Å; V745-I749 HydrophobicContact CG1-CD1 3.87Å; V745-I749 HydrophobicContact CG1-CG1 4.37Å; V745-I749 VanDerWaalsContact O-CG1 3.27Å; V745-I749 WeakPolarHBondContact O-CG1 3.11Å; V745-I749 PolarHBondContact O-N 2.89Å; V745-I762 HydrophobicContact CG1-CG2 3.97Å; V745-F765 HydrophobicContact CG2-CE1 4.4Å |
| 746 | F | 83.2 | Confident | 79.2 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.8 | -66.9 | -41.6 | 0 | 0 | 0 | 111.9 | L742 G744 L748 I749 H750 L782 S785 L786 | L742-F746 HydrophobicContact CB-CD2 4.35Å; L742-F746 HydrophobicContact CB-CE2 3.92Å; L742-F746 HydrophobicContact CB-CZ 4.4Å; L742-F746 HydrophobicContact CD2-CZ 4.34Å; L742-F746 WeakPolarHBondContact O-CB 3.23Å; L742-F746 WeakPolarHBondContact O-CD2 3.33Å; L742-F746 WeakPolarHBondContact O-CG 3.18Å; L742-F746 PolarHBondContact O-N 2.81Å; G744-F746 PolarHBondContact O-N 2.93Å; F746-L748 VanDerWaalsContact C-N 3.29Å; F746-L748 PolarHBondContact O-N 2.7Å; F746-I749 HydrophobicContact CD1-CD1 4.2Å; F746-I749 PolarHBondContact O-N 3.11Å; F746-H750 PolarHBondContact O-CD2 2.76Å; F746-H750 PolarHBondContact O-N 3.42Å; F746-H750 VanDerWaalsContact O-N 3.14Å; F746-L782 HydrophobicContact CZ-CD2 4.22Å; F746-S785 WeakPolarHBondContact CZ-OG 3.22Å; F746-L786 HydrophobicContact CD1-CD2 3.61Å; F746-L786 HydrophobicContact CD1-CG 4.38Å; F746-L786 HydrophobicContact CE1-CD2 3.53Å; F746-L786 HydrophobicContact CE1-CG 3.85Å |
| 747 | K | 83.2 | Confident | 80 | Confident | 145 Ų | 145 | 42.1 Ų | 42.1 | 63% | 0.63 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.9 | -47.7 | 171.6 | -72 | 176.3 | -178.8 | -176.4 | 0 | 111.2 | S743 G744 I749 H750 S751 | S743-K747 WeakPolarHBondContact O-CG 3.49Å; S743-K747 PolarHBondContact O-N 2.94Å; G744-K747 PolarHBondContact O-N 3.37Å; K747-I749 VanDerWaalsContact C-N 3.33Å; K747-I749 PolarHBondContact O-N 3.04Å; K747-H750 PolarHBondContact O-N 3.46Å; K747-H750 VanDerWaalsContact O-N 3.07Å; K747-S751 PolarHBondContact O-N 3.29Å; K747-S751 VanDerWaalsContact O-N 3.11Å |
| 748 | L | 84 | Confident | 81.1 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | 179 | -161.6 | 74.3 | 0 | 0 | 0 | 112.8 | V708 E710 M713 I720 G744 V745 F746 H750 S751 L754 I762 | V708-L748 HydrophobicContact CG1-CD2 4.45Å; E710-L748 HydrophobicContact CG-CD1 4.09Å; M713-L748 HydrophobicContact CE-CD1 3.89Å; M713-L748 HydrophobicContact SD-CD1 4.04Å; M713-L748 HydrophobicContact SD-CD2 4.4Å; M713-L748 HydrophobicContact SD-CG 4.44Å; I720-L748 HydrophobicContact CD1-CD2 3.76Å; G744-L748 PolarHBondContact O-N 3.31Å; V745-L748 WeakPolarHBondContact O-CB 3.44Å; V745-L748 PolarHBondContact O-N 3.47Å; F746-L748 VanDerWaalsContact C-N 3.29Å; F746-L748 PolarHBondContact O-N 2.7Å; L748-H750 VanDerWaalsContact C-N 3.28Å; L748-H750 PolarHBondContact O-N 3.38Å; L748-S751 VanDerWaalsContact O-CB 3.25Å; L748-S751 WeakPolarHBondContact O-CB 3.24Å; L748-S751 PolarHBondContact O-N 3.36Å; L748-S751 VanDerWaalsContact O-N 3.14Å; L748-L754 HydrophobicContact CG-CD1 4.42Å; L748-L754 WeakPolarHBondContact O-CD2 3.4Å; L748-I762 HydrophobicContact CD2-CD1 3.73Å; L748-I762 HydrophobicContact CG-CD1 4.34Å |
| 749 | I | 83.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 175.3 | -72 | 166.3 | 0 | 0 | 0 | 111.7 | V745 F746 K747 S751 L754 I762 L766 L786 S807 V808 | V745-I749 HydrophobicContact CG1-CD1 3.87Å; V745-I749 HydrophobicContact CG1-CG1 4.37Å; V745-I749 VanDerWaalsContact O-CG1 3.27Å; V745-I749 WeakPolarHBondContact O-CG1 3.11Å; V745-I749 PolarHBondContact O-N 2.89Å; F746-I749 HydrophobicContact CD1-CD1 4.2Å; F746-I749 PolarHBondContact O-N 3.11Å; K747-I749 VanDerWaalsContact C-N 3.33Å; K747-I749 PolarHBondContact O-N 3.04Å; I749-S751 VanDerWaalsContact C-N 3.32Å; I749-L754 HydrophobicContact CG1-CD2 4.49Å; I749-I762 HydrophobicContact CD1-CG2 3.94Å; I749-I762 HydrophobicContact CG1-CD1 4.37Å; I749-I762 HydrophobicContact CG1-CG2 4.04Å; I749-L766 HydrophobicContact CD1-CD1 4.5Å; I749-L786 HydrophobicContact CD1-CD2 3.79Å; I749-L786 HydrophobicContact CG2-CD2 4.4Å; I749-S807 WeakPolarHBondContact O-CB 3.37Å; I749-V808 HydrophobicContact CG2-CB 4.49Å; I749-V808 HydrophobicContact CG2-CG2 3.43Å; I749-V808 VanDerWaalsContact CG2-CG2 3.43Å |
| 750 | H | 82.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -81.8 | -10.3 | 176.5 | -63.1 | -63.2 | 0 | 0 | 0 | 113.5 | F746 K747 L748 F790 S804 | F746-H750 PolarHBondContact O-CD2 2.76Å; F746-H750 PolarHBondContact O-N 3.42Å; F746-H750 VanDerWaalsContact O-N 3.14Å; K747-H750 PolarHBondContact O-N 3.46Å; K747-H750 VanDerWaalsContact O-N 3.07Å; L748-H750 VanDerWaalsContact C-N 3.28Å; L748-H750 PolarHBondContact O-N 3.38Å; H750-F790 AromaticContact CE1-CE2 3.61Å; H750-F790 AromaticContact ND1-CE2 3.98Å; H750-F790 AromaticContact ND1-CZ 3.97Å; H750-S804 PolarHBondContact O-OG 3.46Å |
| 751 | S | 84 | Confident | 83.4 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -66.5 | 136.8 | 179.9 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | E710 K747 L748 I749 L753 L754 | E710-S751 WeakPolarHBondContact OE2-CB 3.31Å; E710-S751 PolarHBondContact OE2-OG 2.98Å; K747-S751 PolarHBondContact O-N 3.29Å; K747-S751 VanDerWaalsContact O-N 3.11Å; L748-S751 VanDerWaalsContact O-CB 3.25Å; L748-S751 WeakPolarHBondContact O-CB 3.24Å; L748-S751 PolarHBondContact O-N 3.36Å; L748-S751 VanDerWaalsContact O-N 3.14Å; I749-S751 VanDerWaalsContact C-N 3.32Å; S751-L753 PolarHBondContact O-N 3Å; S751-L753 PolarHBondContact OG-N 3.39Å; S751-L754 PolarHBondContact O-N 3.45Å | ||
| 752 | P | 84.2 | Confident | 83.9 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.7 | 171.3 | -21.9 | 32.7 | 0 | 0 | 0 | 114 | L754 H801 | P752-L754 VanDerWaalsContact C-N 3.31Å; P752-L754 PolarHBondContact O-N 3.19Å; P752-H801 HydrophobicContact CB-CB 4.21Å; P752-H801 HydrophobicContact CG-CB 3.83Å |
| 753 | L | 83.3 | Confident | 84.2 | Confident | 111 Ų | 111 | 40 Ų | 40 | 58% | 0.581 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.7 | -173.5 | -59.4 | 178.8 | 0 | 0 | 0 | 113.1 | M713 S751 Q755 | M713-L753 HydrophobicContact CE-CB 4.05Å; S751-L753 PolarHBondContact O-N 3Å; S751-L753 PolarHBondContact OG-N 3.39Å; L753-Q755 PolarHBondContact O-N 3.04Å; L753-Q755 VanDerWaalsContact O-N 3.16Å |
| 754 | L | 84 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -72.2 | 109.7 | -176.4 | -176.2 | 63.8 | 0 | 0 | 0 | 111.3 | M713 L748 I749 S751 P752 A758 L759 I762 Q803 | M713-L754 HydrophobicContact CE-CD1 4.44Å; M713-L754 HydrophobicContact SD-CD1 3.95Å; L748-L754 HydrophobicContact CG-CD1 4.42Å; L748-L754 WeakPolarHBondContact O-CD2 3.4Å; I749-L754 HydrophobicContact CG1-CD2 4.49Å; S751-L754 PolarHBondContact O-N 3.45Å; P752-L754 VanDerWaalsContact C-N 3.31Å; P752-L754 PolarHBondContact O-N 3.19Å; L754-A758 HydrophobicContact CD1-CB 3.85Å; L754-L759 HydrophobicContact CD1-CB 4.24Å; L754-L759 HydrophobicContact CD2-CD1 3.84Å; L754-L759 HydrophobicContact CG-CB 4.18Å; L754-L759 HydrophobicContact CG-CD1 4.27Å; L754-I762 HydrophobicContact CD1-CD1 3.72Å; L754-I762 HydrophobicContact CD2-CD1 3.84Å; L754-I762 HydrophobicContact CG-CD1 4.46Å; L754-Q803 PolarHBondContact O-NE2 2.87Å | ||
| 755 | Q | 81.8 | Confident | 84.7 | Confident | 143 Ų | 143 | 40.5 Ų | 40.5 | 67% | 0.668 | 22% | 0.224 | S | C | * | . | trans | -151.9 | 162.6 | 175.7 | 59.6 | -178.9 | -19 | 0 | 0 | 112 | L753 G757 | L753-Q755 PolarHBondContact O-N 3.04Å; L753-Q755 VanDerWaalsContact O-N 3.16Å; Q755-G757 PolarHBondContact O-N 3.34Å | ||
| 756 | G | 86.6 | Confident | 84.8 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 52% | 0.515 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -131 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A758 L759 L760 | G756-A758 VanDerWaalsContact C-N 3.35Å; G756-A758 PolarHBondContact O-N 2.95Å; G756-L759 PolarHBondContact O-N 3.18Å; G756-L760 PolarHBondContact O-N 3.05Å |
| 757 | G | 83.7 | Confident | 84.9 | Confident | 30 Ų | 30 | 42 Ų | 42 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -33.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q717 Q755 L760 A761 | Q717-G757 VanDerWaalsContact CD-C 3.42Å; Q755-G757 PolarHBondContact O-N 3.34Å; G757-L760 PolarHBondContact O-N 2.9Å; G757-A761 WeakPolarHBondContact O-CB 3.43Å; G757-A761 PolarHBondContact O-N 3.06Å |
| 758 | A | 85.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M713 Q717 L754 G756 A761 I762 | M713-A758 HydrophobicContact CG-CB 3.63Å; M713-A758 HydrophobicContact SD-CB 3.4Å; M713-A758 WeakPolarHBondContact SD-CB 3.4Å; Q717-A758 HydrophobicContact CB-CB 4.04Å; L754-A758 HydrophobicContact CD1-CB 3.85Å; G756-A758 VanDerWaalsContact C-N 3.35Å; G756-A758 PolarHBondContact O-N 2.95Å; A758-A761 PolarHBondContact O-N 2.89Å; A758-I762 VanDerWaalsContact O-CG1 3.31Å; A758-I762 WeakPolarHBondContact O-CG1 3.02Å; A758-I762 PolarHBondContact O-N 3.44Å |
| 759 | L | 86.6 | Confident | 84.6 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -48.5 | 175.2 | 179.2 | 63.7 | 0 | 0 | 0 | 110.3 | L754 G756 A761 I762 L763 | L754-L759 HydrophobicContact CD1-CB 4.24Å; L754-L759 HydrophobicContact CD2-CD1 3.84Å; L754-L759 HydrophobicContact CG-CB 4.18Å; L754-L759 HydrophobicContact CG-CD1 4.27Å; G756-L759 PolarHBondContact O-N 3.18Å; L759-A761 VanDerWaalsContact C-N 3.3Å; L759-A761 PolarHBondContact O-N 2.92Å; L759-I762 WeakPolarHBondContact O-CB 3.41Å; L759-I762 PolarHBondContact O-N 3.17Å; L759-I762 VanDerWaalsContact O-N 3.1Å; L759-L763 HydrophobicContact CD1-CG 4.49Å; L759-L763 HydrophobicContact CG-CD1 4.4Å; L759-L763 HydrophobicContact CG-CG 4.49Å; L759-L763 VanDerWaalsContact O-CG 3.32Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.27Å |
| 760 | L | 86.1 | Confident | 84.3 | Confident | 107 Ų | 107 | 36.5 Ų | 36.5 | 56% | 0.56 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -57.3 | -43.2 | 177.2 | -68.5 | 174.9 | 0 | 0 | 0 | 112 | G756 G757 I762 L763 D764 | G756-L760 PolarHBondContact O-N 3.05Å; G757-L760 PolarHBondContact O-N 2.9Å; L760-I762 VanDerWaalsContact C-N 3.34Å; L760-I762 PolarHBondContact O-N 2.86Å; L760-L763 HydrophobicContact CD2-CD1 4.46Å; L760-L763 PolarHBondContact O-N 3.22Å; L760-D764 PolarHBondContact O-N 2.89Å |
| 761 | A | 86.6 | Confident | 84.1 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q717 I720 G757 A758 L759 F765 | Q717-A761 HydrophobicContact CG-CB 4.05Å; I720-A761 HydrophobicContact CB-CB 4.41Å; I720-A761 HydrophobicContact CG2-CB 4.11Å; I720-A761 WeakPolarHBondContact CG2-O 3.38Å; G757-A761 WeakPolarHBondContact O-CB 3.43Å; G757-A761 PolarHBondContact O-N 3.06Å; A758-A761 PolarHBondContact O-N 2.89Å; L759-A761 VanDerWaalsContact C-N 3.3Å; L759-A761 PolarHBondContact O-N 2.92Å; A761-F765 VanDerWaalsContact O-CB 3.32Å; A761-F765 WeakPolarHBondContact O-CB 3.38Å; A761-F765 PolarHBondContact O-N 3.26Å |
| 762 | I | 87.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.4 | -67.1 | 163.4 | 0 | 0 | 0 | 111.1 | I720 V745 L748 I749 L754 A758 L759 L760 F765 L766 | I720-I762 HydrophobicContact CD1-CD1 4.27Å; I720-I762 HydrophobicContact CD1-CG1 3.65Å; I720-I762 HydrophobicContact CG2-CG1 4.26Å; V745-I762 HydrophobicContact CG1-CG2 3.97Å; L748-I762 HydrophobicContact CD2-CD1 3.73Å; L748-I762 HydrophobicContact CG-CD1 4.34Å; I749-I762 HydrophobicContact CD1-CG2 3.94Å; I749-I762 HydrophobicContact CG1-CD1 4.37Å; I749-I762 HydrophobicContact CG1-CG2 4.04Å; L754-I762 HydrophobicContact CD1-CD1 3.72Å; L754-I762 HydrophobicContact CD2-CD1 3.84Å; L754-I762 HydrophobicContact CG-CD1 4.46Å; A758-I762 VanDerWaalsContact O-CG1 3.31Å; A758-I762 WeakPolarHBondContact O-CG1 3.02Å; A758-I762 PolarHBondContact O-N 3.44Å; L759-I762 WeakPolarHBondContact O-CB 3.41Å; L759-I762 PolarHBondContact O-N 3.17Å; L759-I762 VanDerWaalsContact O-N 3.1Å; L760-I762 VanDerWaalsContact C-N 3.34Å; L760-I762 PolarHBondContact O-N 2.86Å; I762-F765 WeakPolarHBondContact O-CB 3.43Å; I762-F765 PolarHBondContact O-N 2.98Å; I762-L766 HydrophobicContact CG2-CD1 4.08Å; I762-L766 HydrophobicContact CG2-CG 4.33Å; I762-L766 WeakPolarHBondContact O-CG 3.4Å; I762-L766 PolarHBondContact O-N 3.42Å |
| 763 | L | 86.4 | Confident | 82.6 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 177.8 | -62 | 178.9 | 0 | 0 | 0 | 110.7 | L759 L760 F765 L766 Q767 R810 C811 A814 | L759-L763 HydrophobicContact CD1-CG 4.49Å; L759-L763 HydrophobicContact CG-CD1 4.4Å; L759-L763 HydrophobicContact CG-CG 4.49Å; L759-L763 VanDerWaalsContact O-CG 3.32Å; L759-L763 WeakPolarHBondContact O-CG 3.3Å; L759-L763 PolarHBondContact O-N 3.27Å; L760-L763 HydrophobicContact CD2-CD1 4.46Å; L760-L763 PolarHBondContact O-N 3.22Å; L763-F765 VanDerWaalsContact C-N 3.31Å; L763-F765 PolarHBondContact O-N 3.28Å; L763-L766 PolarHBondContact O-N 3.27Å; L763-Q767 WeakPolarHBondContact O-CG 3.49Å; L763-Q767 PolarHBondContact O-N 3.4Å; L763-R810 HydrophobicContact CD1-CB 4.29Å; L763-R810 VanDerWaalsContact CD2-C 3.47Å; L763-R810 HydrophobicContact CD2-CB 4.09Å; L763-R810 WeakPolarHBondContact CD2-O 3.39Å; L763-C811 HydrophobicContact CD2-CB 4.27Å; L763-A814 HydrophobicContact CB-CB 4.08Å; L763-A814 HydrophobicContact CD2-CB 3.79Å; L763-A814 HydrophobicContact CG-CB 4.43Å |
| 764 | D | 86.3 | Confident | 81.2 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.4 | -71.5 | -18.5 | 0 | 0 | 0 | 111.9 | T724 L760 A768 | T724-D764 HydrophobicContact CG2-CB 4.13Å; L760-D764 PolarHBondContact O-N 2.89Å; D764-A768 VanDerWaalsContact O-CB 3.31Å; D764-A768 WeakPolarHBondContact O-CB 3.43Å; D764-A768 PolarHBondContact O-N 3.26Å |
| 765 | F | 86.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 176.1 | 175.2 | -115.9 | 0 | 0 | 0 | 111.9 | I720 L723 T724 L742 V745 A761 I762 L763 Q767 A768 L769 | I720-F765 HydrophobicContact CG2-CB 3.68Å; I720-F765 HydrophobicContact CG2-CG 4.14Å; L723-F765 HydrophobicContact CB-CD2 3.84Å; L723-F765 HydrophobicContact CB-CE2 3.65Å; L723-F765 HydrophobicContact CB-CZ 4.42Å; T724-F765 VanDerWaalsContact OG1-CA 3.24Å; T724-F765 WeakPolarHBondContact OG1-CA 3.39Å; T724-F765 VanDerWaalsContact OG1-CB 3.27Å; T724-F765 WeakPolarHBondContact OG1-CB 3.33Å; T724-F765 PolarHBondContact OG1-N 2.98Å; L742-F765 HydrophobicContact CD2-CE1 4.26Å; V745-F765 HydrophobicContact CG2-CE1 4.4Å; A761-F765 VanDerWaalsContact O-CB 3.32Å; A761-F765 WeakPolarHBondContact O-CB 3.38Å; A761-F765 PolarHBondContact O-N 3.26Å; I762-F765 WeakPolarHBondContact O-CB 3.43Å; I762-F765 PolarHBondContact O-N 2.98Å; L763-F765 VanDerWaalsContact C-N 3.31Å; L763-F765 PolarHBondContact O-N 3.28Å; F765-Q767 VanDerWaalsContact C-N 3.35Å; F765-Q767 PolarHBondContact O-N 3.31Å; F765-A768 PolarHBondContact O-N 3.48Å; F765-L769 HydrophobicContact CZ-CD2 4.5Å; F765-L769 WeakPolarHBondContact O-CB 3.44Å; F765-L769 PolarHBondContact O-N 3.43Å |
| 766 | L | 84.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 179.5 | -72 | 177.9 | 0 | 0 | 0 | 111.6 | I749 I762 L763 L769 V770 C811 L815 | I749-L766 HydrophobicContact CD1-CD1 4.5Å; I762-L766 HydrophobicContact CG2-CD1 4.08Å; I762-L766 HydrophobicContact CG2-CG 4.33Å; I762-L766 WeakPolarHBondContact O-CG 3.4Å; I762-L766 PolarHBondContact O-N 3.42Å; L763-L766 PolarHBondContact O-N 3.27Å; L766-L769 PolarHBondContact O-N 3.45Å; L766-V770 WeakPolarHBondContact O-CG2 3.49Å; L766-V770 PolarHBondContact O-N 3.3Å; L766-C811 HydrophobicContact CD1-CB 3.75Å; L766-L815 HydrophobicContact CB-CD2 3.98Å |
| 767 | Q | 84.5 | Confident | 77 | Confident | 66 Ų | 66 | 45 Ų | 45 | 31% | 0.308 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 173.9 | -73.5 | 179.4 | 11.3 | 0 | 0 | 111.6 | L763 F765 L769 V770 V771 A814 S817 A818 | L763-Q767 WeakPolarHBondContact O-CG 3.49Å; L763-Q767 PolarHBondContact O-N 3.4Å; F765-Q767 VanDerWaalsContact C-N 3.35Å; F765-Q767 PolarHBondContact O-N 3.31Å; Q767-L769 VanDerWaalsContact C-N 3.31Å; Q767-L769 PolarHBondContact O-N 3.17Å; Q767-V770 PolarHBondContact O-N 3.45Å; Q767-V771 WeakPolarHBondContact O-CG2 3.31Å; Q767-V771 PolarHBondContact O-N 3.19Å; Q767-A814 HydrophobicContact CG-CB 4.01Å; Q767-A814 WeakPolarHBondContact CG-O 3.44Å; Q767-S817 PolarHBondContact NE2-OG 3.37Å; Q767-A818 HydrophobicContact CB-CB 4.39Å; Q767-A818 HydrophobicContact CG-CB 4.31Å |
| 768 | A | 82.1 | Confident | 76.2 | Confident | 9 Ų | 9 | 45.1 Ų | 45.1 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | T724 A727 K728 D764 F765 V771 S772 | T724-A768 HydrophobicContact CG2-CB 3.98Å; A727-A768 HydrophobicContact CB-CB 4.06Å; K728-A768 HydrophobicContact CG-CB 3.99Å; D764-A768 VanDerWaalsContact O-CB 3.31Å; D764-A768 WeakPolarHBondContact O-CB 3.43Å; D764-A768 PolarHBondContact O-N 3.26Å; F765-A768 PolarHBondContact O-N 3.48Å; A768-V771 PolarHBondContact O-N 2.98Å; A768-S772 VanDerWaalsContact O-CB 3.27Å; A768-S772 WeakPolarHBondContact O-CB 3.12Å; A768-S772 PolarHBondContact O-N 2.73Å |
| 769 | L | 80.5 | Confident | 75.6 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 179.8 | -175.9 | 66.1 | 0 | 0 | 0 | 112.1 | L734 L742 F765 L766 Q767 S772 L782 | L734-L769 HydrophobicContact CD2-CD1 3.69Å; L742-L769 HydrophobicContact CD1-CD2 4.5Å; L742-L769 HydrophobicContact CD2-CD2 4.11Å; F765-L769 HydrophobicContact CZ-CD2 4.5Å; F765-L769 WeakPolarHBondContact O-CB 3.44Å; F765-L769 PolarHBondContact O-N 3.43Å; L766-L769 PolarHBondContact O-N 3.45Å; Q767-L769 VanDerWaalsContact C-N 3.31Å; Q767-L769 PolarHBondContact O-N 3.17Å; L769-S772 PolarHBondContact O-N 3.17Å; L769-L782 HydrophobicContact CD2-CD1 4.18Å |
| 770 | V | 77.4 | Confident | 74.9 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 179.6 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | L766 Q767 S772 K773 L782 L815 A818 S819 | L766-V770 WeakPolarHBondContact O-CG2 3.49Å; L766-V770 PolarHBondContact O-N 3.3Å; Q767-V770 PolarHBondContact O-N 3.45Å; V770-S772 VanDerWaalsContact C-N 3.3Å; V770-S772 PolarHBondContact O-N 3.45Å; V770-K773 PolarHBondContact O-N 3.49Å; V770-L782 HydrophobicContact CG2-CD1 3.95Å; V770-L815 HydrophobicContact CG2-CD2 3.4Å; V770-A818 HydrophobicContact CB-CB 4.48Å; V770-A818 HydrophobicContact CG1-CB 4.45Å; V770-S819 WeakPolarHBondContact CG1-OG 3.5Å |
| 771 | V | 78.6 | Confident | 74.4 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65.4 | -36.1 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | Q767 A768 K773 A818 | Q767-V771 WeakPolarHBondContact O-CG2 3.31Å; Q767-V771 PolarHBondContact O-N 3.19Å; A768-V771 PolarHBondContact O-N 2.98Å; V771-K773 VanDerWaalsContact C-N 3.27Å; V771-K773 PolarHBondContact O-N 3.3Å; V771-A818 HydrophobicContact CG2-CB 4.37Å |
| 772 | S | 69.5 | Low | 74 | Confident | 29 Ų | 29 | 48 Ų | 48 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -25.4 | -176.7 | -165.1 | 0 | 0 | 0 | 0 | 113.6 | A727 P731 A768 L769 V770 A774 | A727-S772 PolarHBondContact O-OG 2.68Å; P731-S772 VanDerWaalsContact CB-OG 3.23Å; P731-S772 WeakPolarHBondContact CB-OG 3.48Å; P731-S772 WeakPolarHBondContact CG-OG 3.45Å; A768-S772 VanDerWaalsContact O-CB 3.27Å; A768-S772 WeakPolarHBondContact O-CB 3.12Å; A768-S772 PolarHBondContact O-N 2.73Å; L769-S772 PolarHBondContact O-N 3.17Å; V770-S772 VanDerWaalsContact C-N 3.3Å; V770-S772 PolarHBondContact O-N 3.45Å; S772-A774 PolarHBondContact O-N 3.3Å |
| 773 | K | 65.6 | Low | 73.6 | Confident | 184 Ų | 184 | 49.3 Ų | 49.3 | 80% | 0.8 | 28% | 0.275 | S | S | * | . | trans | 50.2 | 9 | -179 | -64.5 | -174.6 | -179.7 | -178.6 | 0 | 116.1 | V770 V771 T775 | V770-K773 PolarHBondContact O-N 3.49Å; V771-K773 VanDerWaalsContact C-N 3.27Å; V771-K773 PolarHBondContact O-N 3.3Å; K773-T775 VanDerWaalsContact C-N 3.3Å; K773-T775 PolarHBondContact O-N 2.96Å | ||
| 774 | A | 54.3 | Low | 73.3 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | trans | -81.1 | -6.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P731 S772 | P731-A774 HydrophobicContact CB-CB 3.39Å; S772-A774 PolarHBondContact O-N 3.3Å | ||
| 775 | T | 52.5 | Low | 72.8 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -116.2 | 147.9 | 177.3 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | A735 K773 L777 | A735-T775 HydrophobicContact CB-CG2 3.96Å; K773-T775 VanDerWaalsContact C-N 3.3Å; K773-T775 PolarHBondContact O-N 2.96Å; T775-L777 PolarHBondContact O-N 2.82Å |
| 776 | N | 53 | Low | 72.5 | Confident | 164 Ų | 164 | 52.6 Ų | 52.6 | 88% | 0.877 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -60.1 | 4.5 | 169.9 | -66.8 | -23.7 | 0 | 0 | 0 | 114.3 | G778 Q781 | N776-G778 PolarHBondContact O-N 3.09Å; N776-Q781 PolarHBondContact O-NE2 3.34Å; N776-Q781 PolarHBondContact O-OE1 2.84Å |
| 777 | L | 60.1 | Low | 72.1 | Confident | 48 Ų | 48 | 53 Ų | 53 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | trans | -91.3 | 87.4 | 176.9 | -69.7 | 153.3 | 0 | 0 | 0 | 109.5 | L742 T775 | L742-L777 HydrophobicContact CD1-CD1 3.57Å; T775-L777 PolarHBondContact O-N 2.82Å | ||
| 778 | G | 66.6 | Low | 71.9 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | trans | -74.9 | 166 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | N776 S780 Q781 L782 | N776-G778 PolarHBondContact O-N 3.09Å; G778-S780 PolarHBondContact O-N 2.9Å; G778-S780 VanDerWaalsContact O-N 3.14Å; G778-Q781 PolarHBondContact O-N 3.37Å; G778-L782 PolarHBondContact O-N 2.96Å | ||
| 779 | Y | 73.1 | Confident | 71.6 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -44.9 | -44.7 | 175.2 | 171.6 | -89 | 0 | 0 | 0 | 112.7 | Q781 L782 L783 L815 S816 E822 T826 | Y779-Q781 VanDerWaalsContact C-N 3.33Å; Y779-Q781 PolarHBondContact O-N 3.03Å; Y779-L782 PolarHBondContact O-N 3.32Å; Y779-L783 HydrophobicContact CE1-CD1 4.01Å; Y779-L783 WeakPolarHBondContact O-CB 3.27Å; Y779-L783 PolarHBondContact O-N 3.38Å; Y779-L815 HydrophobicContact CD2-CB 4.09Å; Y779-L815 HydrophobicContact CE2-CB 3.87Å; Y779-L815 WeakPolarHBondContact CE2-O 3.2Å; Y779-S816 PolarHBondContact OH-OG 3.26Å; Y779-E822 WeakPolarHBondContact CB-OE2 3.4Å; Y779-E822 HydrophobicContact CD1-CB 4.01Å; Y779-E822 WeakPolarHBondContact CD1-OE2 3.23Å; Y779-E822 HydrophobicContact CE1-CB 3.85Å; Y779-T826 WeakPolarHBondContact CE1-OG1 3.41Å; Y779-T826 PolarHBondContact OH-OG1 3.08Å |
| 780 | S | 72.2 | Confident | 71.1 | Confident | 67 Ų | 67 | 57.6 Ų | 57.6 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.3 | -28.4 | -179.7 | 62.9 | 0 | 0 | 0 | 0 | 114.8 | G778 K784 | G778-S780 PolarHBondContact O-N 2.9Å; G778-S780 VanDerWaalsContact O-N 3.14Å; S780-K784 VanDerWaalsContact O-CG 3.29Å; S780-K784 WeakPolarHBondContact O-CG 3.49Å; S780-K784 PolarHBondContact O-N 3.45Å |
| 781 | Q | 75.6 | Confident | 70.7 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -82.9 | -38.5 | 179.1 | -67.5 | 179.9 | 2.8 | 0 | 0 | 111.4 | N776 G778 Y779 K784 S785 | N776-Q781 PolarHBondContact O-NE2 3.34Å; N776-Q781 PolarHBondContact O-OE1 2.84Å; G778-Q781 PolarHBondContact O-N 3.37Å; Y779-Q781 VanDerWaalsContact C-N 3.33Å; Y779-Q781 PolarHBondContact O-N 3.03Å; Q781-K784 PolarHBondContact O-N 3.34Å; Q781-S785 PolarHBondContact O-N 3.26Å; Q781-S785 PolarHBondContact O-OG 3.44Å |
| 782 | L | 76.4 | Confident | 69.9 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 173.3 | -68.1 | 173.4 | 0 | 0 | 0 | 111.2 | L742 F746 L769 V770 G778 Y779 S785 L786 L815 | L742-L782 HydrophobicContact CD1-CD2 4.15Å; L742-L782 HydrophobicContact CD2-CD2 4.31Å; F746-L782 HydrophobicContact CZ-CD2 4.22Å; L769-L782 HydrophobicContact CD2-CD1 4.18Å; V770-L782 HydrophobicContact CG2-CD1 3.95Å; G778-L782 PolarHBondContact O-N 2.96Å; Y779-L782 PolarHBondContact O-N 3.32Å; L782-S785 WeakPolarHBondContact CA-OG 3.43Å; L782-S785 PolarHBondContact O-N 3.2Å; L782-S785 PolarHBondContact O-OG 2.94Å; L782-L786 WeakPolarHBondContact O-CB 3.39Å; L782-L786 VanDerWaalsContact O-CG 3.3Å; L782-L786 WeakPolarHBondContact O-CG 3.37Å; L782-L786 PolarHBondContact O-N 3.33Å; L782-L815 HydrophobicContact CB-CD1 4.23Å; L782-L815 HydrophobicContact CD1-CD2 4.19Å |
| 783 | L | 79.4 | Confident | 68.9 | Low | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.2 | -170.6 | 146.1 | 0 | 0 | 0 | 112 | Y779 L786 M787 V812 T826 | Y779-L783 HydrophobicContact CE1-CD1 4.01Å; Y779-L783 WeakPolarHBondContact O-CB 3.27Å; Y779-L783 PolarHBondContact O-N 3.38Å; L783-L786 PolarHBondContact O-N 3.27Å; L783-M787 HydrophobicContact CD2-CG 4.47Å; L783-M787 HydrophobicContact CD2-SD 3.51Å; L783-M787 VanDerWaalsContact CD2-SD 3.51Å; L783-M787 HydrophobicContact CG-SD 4.14Å; L783-M787 WeakPolarHBondContact O-CG 3.44Å; L783-M787 PolarHBondContact O-N 2.97Å; L783-M787 VanDerWaalsContact O-N 3.17Å; L783-V812 HydrophobicContact CD1-CG1 4.45Å; L783-T826 HydrophobicContact CD1-CG2 3.49Å; L783-T826 VanDerWaalsContact CD1-CG2 3.49Å |
| 784 | K | 79.6 | Confident | 67.8 | Low | 146 Ų | 146 | 63.4 Ų | 63.4 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 175.9 | -78 | 178.4 | -178 | -175.5 | 0 | 112 | S780 Q781 L786 M787 E788 | S780-K784 VanDerWaalsContact O-CG 3.29Å; S780-K784 WeakPolarHBondContact O-CG 3.49Å; S780-K784 PolarHBondContact O-N 3.45Å; Q781-K784 PolarHBondContact O-N 3.34Å; K784-L786 VanDerWaalsContact C-N 3.33Å; K784-L786 PolarHBondContact O-N 2.76Å; K784-M787 PolarHBondContact O-N 3.45Å; K784-E788 VanDerWaalsContact O-CB 3.27Å; K784-E788 WeakPolarHBondContact O-CB 3.17Å; K784-E788 PolarHBondContact O-N 3.47Å |
| 785 | S | 77.6 | Confident | 67.2 | Low | 32 Ų | 32 | 67.4 Ų | 67.4 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -32.8 | -179.3 | 46.9 | 0 | 0 | 0 | 0 | 113.6 | F746 Q781 L782 P789 | F746-S785 WeakPolarHBondContact CZ-OG 3.22Å; Q781-S785 PolarHBondContact O-N 3.26Å; Q781-S785 PolarHBondContact O-OG 3.44Å; L782-S785 WeakPolarHBondContact CA-OG 3.43Å; L782-S785 PolarHBondContact O-N 3.2Å; L782-S785 PolarHBondContact O-OG 2.94Å; S785-P789 WeakPolarHBondContact O-CD 3.47Å |
| 786 | L | 79.1 | Confident | 66.3 | Low | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.2 | -34.2 | 173.5 | -74.4 | 171.5 | 0 | 0 | 0 | 113.2 | F746 I749 L782 L783 K784 V808 C811 L815 | F746-L786 HydrophobicContact CD1-CD2 3.61Å; F746-L786 HydrophobicContact CD1-CG 4.38Å; F746-L786 HydrophobicContact CE1-CD2 3.53Å; F746-L786 HydrophobicContact CE1-CG 3.85Å; I749-L786 HydrophobicContact CD1-CD2 3.79Å; I749-L786 HydrophobicContact CG2-CD2 4.4Å; L782-L786 WeakPolarHBondContact O-CB 3.39Å; L782-L786 VanDerWaalsContact O-CG 3.3Å; L782-L786 WeakPolarHBondContact O-CG 3.37Å; L782-L786 PolarHBondContact O-N 3.33Å; L783-L786 PolarHBondContact O-N 3.27Å; K784-L786 VanDerWaalsContact C-N 3.33Å; K784-L786 PolarHBondContact O-N 2.76Å; L786-V808 HydrophobicContact CB-CG1 4.27Å; L786-C811 HydrophobicContact CD1-CB 4.11Å; L786-L815 HydrophobicContact CD1-CD1 3.58Å |
| 787 | M | 77.6 | Confident | 65.5 | Low | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.039 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -92.3 | -22.7 | -176.1 | -65.3 | -176.2 | 78.2 | 0 | 0 | 113.8 | L783 K784 P789 F790 Q791 L830 L846 | L783-M787 HydrophobicContact CD2-CG 4.47Å; L783-M787 HydrophobicContact CD2-SD 3.51Å; L783-M787 VanDerWaalsContact CD2-SD 3.51Å; L783-M787 HydrophobicContact CG-SD 4.14Å; L783-M787 WeakPolarHBondContact O-CG 3.44Å; L783-M787 PolarHBondContact O-N 2.97Å; L783-M787 VanDerWaalsContact O-N 3.17Å; K784-M787 PolarHBondContact O-N 3.45Å; M787-P789 VanDerWaalsContact C-CD 3.45Å; M787-F790 PolarHBondContact O-N 3.39Å; M787-Q791 WeakPolarHBondContact O-CG 3.44Å; M787-Q791 PolarHBondContact O-N 3.16Å; M787-L830 HydrophobicContact CE-CD2 3.78Å; M787-L846 HydrophobicContact CE-CD2 4.44Å; M787-L846 HydrophobicContact CG-CD2 4.33Å |
| 788 | E | 78.9 | Confident | 64.7 | Low | 126 Ų | 126 | 73 Ų | 73 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -52.6 | -42.5 | -177 | -178.2 | 172.3 | -164.8 | 0 | 0 | 113.9 | K784 F790 Q791 S792 | K784-E788 VanDerWaalsContact O-CB 3.27Å; K784-E788 WeakPolarHBondContact O-CB 3.17Å; K784-E788 PolarHBondContact O-N 3.47Å; E788-F790 PolarHBondContact O-N 3.45Å; E788-Q791 PolarHBondContact O-N 2.62Å; E788-Q791 VanDerWaalsContact O-N 3.15Å; E788-S792 PolarHBondContact O-N 3.36Å |
| 789 | P | 75.3 | Confident | 64.2 | Low | 48 Ų | 48 | 76.3 Ų | 76.3 | 31% | 0.312 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.2 | -28.6 | 177.8 | -25.9 | 37.6 | 0 | 0 | 0 | 113.9 | S785 M787 | S785-P789 WeakPolarHBondContact O-CD 3.47Å; M787-P789 VanDerWaalsContact C-CD 3.45Å |
| 790 | F | 71.4 | Confident | 63.8 | Low | 3 Ų | 3 | 78.6 Ų | 78.6 | 1% | 0.013 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -89.7 | -16.5 | -179.7 | -58.8 | -89.2 | 0 | 0 | 0 | 113.2 | H750 M787 E788 L800 Y805 V808 S842 L846 | H750-F790 AromaticContact CE1-CE2 3.61Å; H750-F790 AromaticContact ND1-CE2 3.98Å; H750-F790 AromaticContact ND1-CZ 3.97Å; M787-F790 PolarHBondContact O-N 3.39Å; E788-F790 PolarHBondContact O-N 3.45Å; F790-L800 HydrophobicContact CD1-CD1 3.66Å; F790-L800 HydrophobicContact CE1-CB 4.31Å; F790-L800 HydrophobicContact CE1-CD1 3.77Å; F790-L800 HydrophobicContact CE1-CD2 4.37Å; F790-L800 HydrophobicContact CE1-CG 4.38Å; F790-L800 HydrophobicContact CG-CD1 4.31Å; F790-L800 HydrophobicContact CZ-CD1 4.5Å; F790-L800 HydrophobicContact CZ-CD2 4.48Å; F790-Y805 AromaticContact CD1-CD1 3.89Å; F790-Y805 HydrophobicContact CD1-CD1 3.89Å; F790-Y805 AromaticContact CD1-CE1 3.42Å; F790-Y805 HydrophobicContact CD1-CE1 3.42Å; F790-Y805 VanDerWaalsContact CD1-CE1 3.42Å; F790-Y805 AromaticContact CD1-CZ 3.9Å; F790-Y805 AromaticContact CE1-CD1 3.61Å; F790-Y805 HydrophobicContact CE1-CD1 3.61Å; F790-Y805 HydrophobicContact CE1-CD2 4.26Å; F790-Y805 AromaticContact CE1-CE1 3.46Å; F790-Y805 HydrophobicContact CE1-CE1 3.46Å; F790-Y805 VanDerWaalsContact CE1-CE1 3.46Å; F790-Y805 HydrophobicContact CE1-CE2 4.15Å; F790-Y805 HydrophobicContact CE1-CG 4.02Å; F790-Y805 AromaticContact CE1-CZ 3.76Å; F790-Y805 HydrophobicContact CZ-CD1 4.5Å; F790-V808 HydrophobicContact CE2-CB 4.29Å; F790-V808 HydrophobicContact CE2-CG1 4.23Å; F790-V808 HydrophobicContact CE2-CG2 3.77Å; F790-V808 HydrophobicContact CZ-CG2 4.03Å; F790-S842 PolarHBondContact O-OG 3.22Å; F790-L846 HydrophobicContact CB-CD2 3.97Å; F790-L846 HydrophobicContact CD1-CD2 4.43Å; F790-L846 HydrophobicContact CD2-CD2 3.59Å; F790-L846 HydrophobicContact CE2-CD2 4.13Å; F790-L846 HydrophobicContact CG-CD2 3.75Å |
| 791 | Q | 69.5 | Low | 64.1 | Low | 91 Ų | 91 | 79.8 Ų | 79.8 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -90.2 | -24.1 | 179.5 | -68.9 | 176.6 | 4.7 | 0 | 0 | 112.4 | M787 E788 S793 | M787-Q791 WeakPolarHBondContact O-CG 3.44Å; M787-Q791 PolarHBondContact O-N 3.16Å; E788-Q791 PolarHBondContact O-N 2.62Å; E788-Q791 VanDerWaalsContact O-N 3.15Å; Q791-S793 PolarHBondContact O-N 3.33Å |
| 792 | S | 61.4 | Low | 64.2 | Low | 69 Ų | 69 | 82.2 Ų | 82.2 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | trans | -80.9 | 115.9 | -179.2 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | E788 K794 | E788-S792 PolarHBondContact O-N 3.36Å; S792-K794 PolarHBondContact O-N 3.29Å | ||
| 793 | S | 46.9 | Very low | 64.5 | Low | 118 Ų | 118 | 85 Ų | 85 | 83% | 0.825 | 48% | 0.481 | S | S | * | . | trans | -74.5 | 36.5 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | Q791 | Q791-S793 PolarHBondContact O-N 3.33Š| ||
| 794 | K | 44 | Very low | 64.7 | Low | 176 Ų | 176 | 83.7 Ų | 83.7 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | trans | -94 | 106.4 | 177 | -79.5 | -171.8 | 179.4 | 178.9 | 0 | 110.5 | S792 S796 | S792-K794 PolarHBondContact O-N 3.29Å; K794-S796 VanDerWaalsContact C-N 3.25Å; K794-S796 PolarHBondContact O-N 3.07Å | ||
| 795 | S | 40.6 | Very low | 64.9 | Low | 125 Ų | 125 | 78.2 Ų | 78.2 | 87% | 0.874 | 45% | 0.449 | S | S | * | . | trans | -58.5 | 74.7 | 163.7 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 796 | S | 34.4 | Very low | 65.2 | Low | 92 Ų | 92 | 78.9 Ų | 78.9 | 64% | 0.643 | 45% | 0.449 | S | S | * | . | trans | -133.6 | 96 | 167.5 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | K794 D798 | K794-S796 VanDerWaalsContact C-N 3.25Å; K794-S796 PolarHBondContact O-N 3.07Å; S796-D798 PolarHBondContact O-N 3.16Å | ||
| 797 | A | 35.7 | Very low | 65.5 | Low | 106 Ų | 106 | 78.9 Ų | 78.9 | 88% | 0.876 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 62.6 | -9.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||
| 798 | D | 44.1 | Very low | 65.9 | Low | 152 Ų | 152 | 78.5 Ų | 78.5 | 81% | 0.813 | 45% | 0.447 | S | S | * | . | trans | -123.8 | 103.7 | 166.6 | -82.7 | -32.6 | 0 | 0 | 0 | 110 | S796 L800 | S796-D798 PolarHBondContact O-N 3.16Å; D798-L800 PolarHBondContact O-N 3.1Å | ||
| 799 | A | 54.8 | Low | 66.3 | Low | 102 Ų | 102 | 72.5 Ų | 72.5 | 84% | 0.843 | 42% | 0.419 | S | S | * | . | trans | -59.9 | 112.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | H801 | A799-H801 PolarHBondContact O-N 3.18Š| ||
| 800 | L | 66.3 | Low | 66.7 | Low | 63 Ų | 63 | 75 Ų | 75 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | trans | -54.6 | 123.3 | 177.1 | -73.9 | 161.1 | 0 | 0 | 0 | 109.4 | F790 D798 Y805 | F790-L800 HydrophobicContact CD1-CD1 3.66Å; F790-L800 HydrophobicContact CE1-CB 4.31Å; F790-L800 HydrophobicContact CE1-CD1 3.77Å; F790-L800 HydrophobicContact CE1-CD2 4.37Å; F790-L800 HydrophobicContact CE1-CG 4.38Å; F790-L800 HydrophobicContact CG-CD1 4.31Å; F790-L800 HydrophobicContact CZ-CD1 4.5Å; F790-L800 HydrophobicContact CZ-CD2 4.48Å; D798-L800 PolarHBondContact O-N 3.1Å; L800-Y805 HydrophobicContact CB-CE2 4.34Å | ||
| 801 | H | 76.8 | Confident | 67.4 | Low | 93 Ų | 93 | 74.9 Ų | 74.9 | 43% | 0.431 | 42% | 0.422 | S | S | . | . | trans | -72.7 | 149.7 | -175 | -172.4 | -98.6 | 0 | 0 | 0 | 111.4 | P752 A799 Q803 S804 Y805 | P752-H801 HydrophobicContact CB-CB 4.21Å; P752-H801 HydrophobicContact CG-CB 3.83Å; A799-H801 PolarHBondContact O-N 3.18Å; H801-Q803 VanDerWaalsContact ND1-CB 3.27Å; H801-Q803 WeakPolarHBondContact ND1-CB 3.25Å; H801-Q803 PolarHBondContact ND1-N 3.46Å; H801-Q803 VanDerWaalsContact ND1-N 3.19Å; H801-Q803 PolarHBondContact O-N 3.16Å; H801-Q803 VanDerWaalsContact O-N 3.12Å; H801-S804 VanDerWaalsContact O-CB 3.25Å; H801-S804 WeakPolarHBondContact O-CB 3.48Å; H801-S804 PolarHBondContact O-N 2.64Å; H801-S804 PolarHBondContact O-OG 3.12Å; H801-S804 VanDerWaalsContact O-OG 3.11Å; H801-Y805 WeakPolarHBondContact O-CD2 3.35Å | ||
| 802 | R | 79.6 | Confident | 68.2 | Low | 150 Ų | 150 | 70.5 Ų | 70.5 | 57% | 0.566 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -53.3 | -36.6 | 179.5 | -175 | 174.4 | 175.1 | 153.4 | 1.3 | 113 | S804 Y805 H806 | R802-S804 VanDerWaalsContact C-N 3.29Å; R802-S804 PolarHBondContact O-N 2.95Å; R802-Y805 PolarHBondContact O-N 3.32Å; R802-H806 PolarHBondContact O-CD2 3.34Å |
| 803 | Q | 82.4 | Confident | 69.2 | Low | 57 Ų | 57 | 67.3 Ų | 67.3 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 177.8 | -172.3 | 64.9 | 2.2 | 0 | 0 | 112.6 | L754 H801 Y805 H806 S807 | L754-Q803 PolarHBondContact O-NE2 2.87Å; H801-Q803 VanDerWaalsContact ND1-CB 3.27Å; H801-Q803 WeakPolarHBondContact ND1-CB 3.25Å; H801-Q803 PolarHBondContact ND1-N 3.46Å; H801-Q803 VanDerWaalsContact ND1-N 3.19Å; H801-Q803 PolarHBondContact O-N 3.16Å; H801-Q803 VanDerWaalsContact O-N 3.12Å; Q803-Y805 VanDerWaalsContact C-N 3.26Å; Q803-Y805 PolarHBondContact O-N 3.38Å; Q803-H806 PolarHBondContact O-N 3.11Å; Q803-H806 VanDerWaalsContact O-N 3.13Å; Q803-S807 PolarHBondContact O-N 3.02Å; Q803-S807 PolarHBondContact O-OG 3.26Å |
| 804 | S | 83.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -36.7 | -178.5 | -41.2 | 0 | 0 | 0 | 0 | 111.1 | H750 H801 R802 S807 V808 | H750-S804 PolarHBondContact O-OG 3.46Å; H801-S804 VanDerWaalsContact O-CB 3.25Å; H801-S804 WeakPolarHBondContact O-CB 3.48Å; H801-S804 PolarHBondContact O-N 2.64Å; H801-S804 PolarHBondContact O-OG 3.12Å; H801-S804 VanDerWaalsContact O-OG 3.11Å; R802-S804 VanDerWaalsContact C-N 3.29Å; R802-S804 PolarHBondContact O-N 2.95Å; S804-S807 PolarHBondContact O-N 3.04Å; S804-V808 WeakPolarHBondContact O-CB 3.42Å; S804-V808 WeakPolarHBondContact O-CG2 3.25Å; S804-V808 PolarHBondContact O-N 2.86Å |
| 805 | Y | 83.5 | Confident | 72.8 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 175 | -64.5 | -91.7 | 0 | 0 | 0 | 112.3 | F790 L800 H801 R802 Q803 A809 S842 V845 L846 | F790-Y805 AromaticContact CD1-CD1 3.89Å; F790-Y805 HydrophobicContact CD1-CD1 3.89Å; F790-Y805 AromaticContact CD1-CE1 3.42Å; F790-Y805 HydrophobicContact CD1-CE1 3.42Å; F790-Y805 VanDerWaalsContact CD1-CE1 3.42Å; F790-Y805 AromaticContact CD1-CZ 3.9Å; F790-Y805 AromaticContact CE1-CD1 3.61Å; F790-Y805 HydrophobicContact CE1-CD1 3.61Å; F790-Y805 HydrophobicContact CE1-CD2 4.26Å; F790-Y805 AromaticContact CE1-CE1 3.46Å; F790-Y805 HydrophobicContact CE1-CE1 3.46Å; F790-Y805 VanDerWaalsContact CE1-CE1 3.46Å; F790-Y805 HydrophobicContact CE1-CE2 4.15Å; F790-Y805 HydrophobicContact CE1-CG 4.02Å; F790-Y805 AromaticContact CE1-CZ 3.76Å; F790-Y805 HydrophobicContact CZ-CD1 4.5Å; L800-Y805 HydrophobicContact CB-CE2 4.34Å; H801-Y805 WeakPolarHBondContact O-CD2 3.35Å; R802-Y805 PolarHBondContact O-N 3.32Å; Q803-Y805 VanDerWaalsContact C-N 3.26Å; Q803-Y805 PolarHBondContact O-N 3.38Å; Y805-A809 VanDerWaalsContact O-CB 3.27Å; Y805-A809 WeakPolarHBondContact O-CB 3.02Å; Y805-A809 PolarHBondContact O-N 3.43Å; Y805-S842 WeakPolarHBondContact CE1-O 3.24Å; Y805-S842 WeakPolarHBondContact OH-CB 3.41Å; Y805-V845 HydrophobicContact CD1-CG1 4.23Å; Y805-L846 HydrophobicContact CD1-CB 4.09Å; Y805-L846 HydrophobicContact CD1-CD1 4.41Å |
| 806 | H | 84.4 | Confident | 74.7 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 21% | 0.213 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 177.9 | -72.7 | -73.7 | 0 | 0 | 0 | 112.4 | R802 Q803 A809 R810 | R802-H806 PolarHBondContact O-CD2 3.34Å; Q803-H806 PolarHBondContact O-N 3.11Å; Q803-H806 VanDerWaalsContact O-N 3.13Å; H806-A809 PolarHBondContact O-N 3.38Å; H806-R810 WeakPolarHBondContact O-CG 3.47Å; H806-R810 PolarHBondContact O-N 2.87Å |
| 807 | S | 85.5 | Confident | 77 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 176 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | I749 Q803 S804 R810 C811 | I749-S807 WeakPolarHBondContact O-CB 3.37Å; Q803-S807 PolarHBondContact O-N 3.02Å; Q803-S807 PolarHBondContact O-OG 3.26Å; S804-S807 PolarHBondContact O-N 3.04Å; S807-R810 PolarHBondContact O-N 3.46Å; S807-C811 PolarHBondContact O-N 2.88Å; S807-C811 PolarHBondContact O-SG 3.34Å |
| 808 | V | 85.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 179.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | I749 L786 F790 S804 R810 C811 V812 L846 | I749-V808 HydrophobicContact CG2-CB 4.49Å; I749-V808 HydrophobicContact CG2-CG2 3.43Å; I749-V808 VanDerWaalsContact CG2-CG2 3.43Å; L786-V808 HydrophobicContact CB-CG1 4.27Å; F790-V808 HydrophobicContact CE2-CB 4.29Å; F790-V808 HydrophobicContact CE2-CG1 4.23Å; F790-V808 HydrophobicContact CE2-CG2 3.77Å; F790-V808 HydrophobicContact CZ-CG2 4.03Å; S804-V808 WeakPolarHBondContact O-CB 3.42Å; S804-V808 WeakPolarHBondContact O-CG2 3.25Å; S804-V808 PolarHBondContact O-N 2.86Å; V808-R810 VanDerWaalsContact C-N 3.31Å; V808-R810 PolarHBondContact O-N 2.96Å; V808-C811 WeakPolarHBondContact O-CB 3.49Å; V808-C811 PolarHBondContact O-N 2.96Å; V808-C811 VanDerWaalsContact O-N 3.14Å; V808-V812 HydrophobicContact CG1-CG2 4.36Å; V808-V812 WeakPolarHBondContact O-CG2 3.4Å; V808-V812 PolarHBondContact O-N 3.27Å; V808-L846 HydrophobicContact CB-CD1 4.04Å; V808-L846 HydrophobicContact CG1-CD1 3.88Å; V808-L846 HydrophobicContact CG1-CD2 4.27Å |
| 809 | A | 85.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y805 H806 V812 A813 L849 E853 | Y805-A809 VanDerWaalsContact O-CB 3.27Å; Y805-A809 WeakPolarHBondContact O-CB 3.02Å; Y805-A809 PolarHBondContact O-N 3.43Å; H806-A809 PolarHBondContact O-N 3.38Å; A809-V812 PolarHBondContact O-N 3.47Å; A809-A813 WeakPolarHBondContact O-CB 3.19Å; A809-A813 PolarHBondContact O-N 2.91Å; A809-L849 HydrophobicContact CB-CB 3.81Å; A809-E853 HydrophobicContact CB-CG 4.16Å |
| 810 | R | 85 | Confident | 81.5 | Confident | 100 Ų | 100 | 36.3 Ų | 36.3 | 38% | 0.377 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 174.6 | -72.7 | 179.2 | 179.2 | 172.7 | 1.3 | 112.7 | L763 H806 S807 V808 A813 A814 E853 | L763-R810 HydrophobicContact CD1-CB 4.29Å; L763-R810 VanDerWaalsContact CD2-C 3.47Å; L763-R810 HydrophobicContact CD2-CB 4.09Å; L763-R810 WeakPolarHBondContact CD2-O 3.39Å; H806-R810 WeakPolarHBondContact O-CG 3.47Å; H806-R810 PolarHBondContact O-N 2.87Å; S807-R810 PolarHBondContact O-N 3.46Å; V808-R810 VanDerWaalsContact C-N 3.31Å; V808-R810 PolarHBondContact O-N 2.96Å; R810-A813 PolarHBondContact O-N 2.66Å; R810-A814 WeakPolarHBondContact O-CB 3.37Å; R810-A814 PolarHBondContact O-N 2.96Å; R810-E853 HydrophobicContact CG-CG 3.95Å; R810-E853 WeakPolarHBondContact CG-OE1 3.35Å; R810-E853 IonicContact CZ-OE1 3.69Å; R810-E853 IonicContact NE-OE1 3.71Å; R810-E853 PolarHBondContact NE-OE1 3.32Å; R810-E853 IonicContact NH2-OE1 2.89Å |
| 811 | C | 85.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 173.6 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | L763 L766 L786 S807 V808 A813 A814 L815 | L763-C811 HydrophobicContact CD2-CB 4.27Å; L766-C811 HydrophobicContact CD1-CB 3.75Å; L786-C811 HydrophobicContact CD1-CB 4.11Å; S807-C811 PolarHBondContact O-N 2.88Å; S807-C811 PolarHBondContact O-SG 3.34Å; V808-C811 WeakPolarHBondContact O-CB 3.49Å; V808-C811 PolarHBondContact O-N 2.96Å; V808-C811 VanDerWaalsContact O-N 3.14Å; C811-A813 VanDerWaalsContact C-N 3.33Å; C811-A813 PolarHBondContact O-N 3.48Å; C811-A814 PolarHBondContact O-N 3.48Å; C811-L815 VanDerWaalsContact O-CG 3.29Å; C811-L815 WeakPolarHBondContact O-CG 3.33Å; C811-L815 PolarHBondContact O-N 3.19Å |
| 812 | V | 85.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L783 V808 A809 L815 S816 C850 | L783-V812 HydrophobicContact CD1-CG1 4.45Å; V808-V812 HydrophobicContact CG1-CG2 4.36Å; V808-V812 WeakPolarHBondContact O-CG2 3.4Å; V808-V812 PolarHBondContact O-N 3.27Å; A809-V812 PolarHBondContact O-N 3.47Å; V812-L815 PolarHBondContact O-N 3.15Å; V812-S816 WeakPolarHBondContact O-CB 3.41Å; V812-S816 PolarHBondContact O-N 3.41Å; V812-S816 PolarHBondContact O-OG 3.01Å; V812-C850 HydrophobicContact CG1-CB 4.39Å |
| 813 | A | 83.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A809 R810 C811 L815 S816 S817 E853 V854 | A809-A813 WeakPolarHBondContact O-CB 3.19Å; A809-A813 PolarHBondContact O-N 2.91Å; R810-A813 PolarHBondContact O-N 2.66Å; C811-A813 VanDerWaalsContact C-N 3.33Å; C811-A813 PolarHBondContact O-N 3.48Å; A813-L815 PolarHBondContact O-N 3.32Å; A813-S816 WeakPolarHBondContact O-CB 3.27Å; A813-S816 PolarHBondContact O-N 3.14Å; A813-S816 VanDerWaalsContact O-N 3.15Å; A813-S817 PolarHBondContact O-N 3.44Å; A813-S817 PolarHBondContact O-OG 2.96Å; A813-E853 HydrophobicContact CB-CB 3.7Å; A813-E853 WeakPolarHBondContact CB-O 3.46Å; A813-V854 HydrophobicContact CB-CG2 4.17Å |
| 814 | A | 83.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L763 Q767 R810 C811 S816 S817 A818 | L763-A814 HydrophobicContact CB-CB 4.08Å; L763-A814 HydrophobicContact CD2-CB 3.79Å; L763-A814 HydrophobicContact CG-CB 4.43Å; Q767-A814 HydrophobicContact CG-CB 4.01Å; Q767-A814 WeakPolarHBondContact CG-O 3.44Å; R810-A814 WeakPolarHBondContact O-CB 3.37Å; R810-A814 PolarHBondContact O-N 2.96Å; C811-A814 PolarHBondContact O-N 3.48Å; A814-S816 VanDerWaalsContact C-N 3.33Å; A814-S817 PolarHBondContact O-OG 3.33Å; A814-A818 PolarHBondContact O-N 2.94Å |
| 815 | L | 82.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 171.8 | -69.1 | 171.8 | 0 | 0 | 0 | 111 | L766 V770 Y779 L782 L786 C811 V812 A813 A818 S819 | L766-L815 HydrophobicContact CB-CD2 3.98Å; V770-L815 HydrophobicContact CG2-CD2 3.4Å; Y779-L815 HydrophobicContact CD2-CB 4.09Å; Y779-L815 HydrophobicContact CE2-CB 3.87Å; Y779-L815 WeakPolarHBondContact CE2-O 3.2Å; L782-L815 HydrophobicContact CB-CD1 4.23Å; L782-L815 HydrophobicContact CD1-CD2 4.19Å; L786-L815 HydrophobicContact CD1-CD1 3.58Å; C811-L815 VanDerWaalsContact O-CG 3.29Å; C811-L815 WeakPolarHBondContact O-CG 3.33Å; C811-L815 PolarHBondContact O-N 3.19Å; V812-L815 PolarHBondContact O-N 3.15Å; A813-L815 PolarHBondContact O-N 3.32Å; L815-A818 PolarHBondContact O-N 3.04Å; L815-S819 PolarHBondContact O-N 3.1Å |
| 816 | S | 81.1 | Confident | 79.9 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.5 | -36.2 | -179.4 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | Y779 V812 A813 A814 S819 T823 | Y779-S816 PolarHBondContact OH-OG 3.26Å; V812-S816 WeakPolarHBondContact O-CB 3.41Å; V812-S816 PolarHBondContact O-N 3.41Å; V812-S816 PolarHBondContact O-OG 3.01Å; A813-S816 WeakPolarHBondContact O-CB 3.27Å; A813-S816 PolarHBondContact O-N 3.14Å; A813-S816 VanDerWaalsContact O-N 3.15Å; A814-S816 VanDerWaalsContact C-N 3.33Å; S816-S819 CarbonylContact O-C 3.4Å; S816-S819 PolarHBondContact O-N 3.18Å; S816-T823 PolarHBondContact O-OG1 3.42Å |
| 817 | S | 81.6 | Confident | 79.6 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.1 | -32.2 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | Q767 A813 A814 | Q767-S817 PolarHBondContact NE2-OG 3.37Å; A813-S817 PolarHBondContact O-N 3.44Å; A813-S817 PolarHBondContact O-OG 2.96Å; A814-S817 PolarHBondContact O-OG 3.33Å |
| 818 | A | 79.2 | Confident | 79.3 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.3 | -27 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q767 V770 V771 A814 L815 | Q767-A818 HydrophobicContact CB-CB 4.39Å; Q767-A818 HydrophobicContact CG-CB 4.31Å; V770-A818 HydrophobicContact CB-CB 4.48Å; V770-A818 HydrophobicContact CG1-CB 4.45Å; V771-A818 HydrophobicContact CG2-CB 4.37Å; A814-A818 PolarHBondContact O-N 2.94Å; L815-A818 PolarHBondContact O-N 3.04Å |
| 819 | S | 77.3 | Confident | 79.1 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -127.4 | 72.9 | -176.5 | -74.2 | 0 | 0 | 0 | 0 | 113 | V770 L815 S816 K821 E822 T823 | V770-S819 WeakPolarHBondContact CG1-OG 3.5Å; L815-S819 PolarHBondContact O-N 3.1Å; S816-S819 CarbonylContact O-C 3.4Å; S816-S819 PolarHBondContact O-N 3.18Å; S819-K821 PolarHBondContact O-N 3.38Å; S819-E822 PolarHBondContact O-N 2.89Å; S819-T823 PolarHBondContact O-OG1 3.45Å | ||
| 820 | P | 73.5 | Confident | 78.8 | Confident | 96 Ų | 96 | 44.2 Ų | 44.2 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.4 | -174 | 24.8 | -35 | 0 | 0 | 0 | 114.8 | T823 | P820-T823 WeakPolarHBondContact CA-OG1 3.4Å; P820-T823 PolarHBondContact O-OG1 3.25Å |
| 821 | K | 72.8 | Confident | 78.6 | Confident | 199 Ų | 199 | 40.4 Ų | 40.4 | 87% | 0.865 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26.6 | 179.9 | -63.9 | -175.1 | -179.5 | -177 | 0 | 113.4 | S819 | S819-K821 PolarHBondContact O-N 3.38Š|
| 822 | E | 69.3 | Low | 78.3 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -8.1 | -175.7 | -64.3 | -174.9 | -171.1 | 0 | 0 | 112.8 | Y779 S819 G825 T826 | Y779-E822 WeakPolarHBondContact CB-OE2 3.4Å; Y779-E822 HydrophobicContact CD1-CB 4.01Å; Y779-E822 WeakPolarHBondContact CD1-OE2 3.23Å; Y779-E822 HydrophobicContact CE1-CB 3.85Å; S819-E822 PolarHBondContact O-N 2.89Å; E822-G825 PolarHBondContact O-N 3.19Å; E822-T826 PolarHBondContact O-N 3.34Å; E822-T826 VanDerWaalsContact O-N 3.14Å; E822-T826 PolarHBondContact O-OG1 3.39Å |
| 823 | T | 71.5 | Confident | 77.9 | Confident | 24 Ų | 24 | 48 Ų | 48 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.8 | -48.8 | 175.8 | -41.5 | 0 | 0 | 0 | 0 | 114 | S816 S819 P820 G825 T826 V827 V854 | S816-T823 PolarHBondContact O-OG1 3.42Å; S819-T823 PolarHBondContact O-OG1 3.45Å; P820-T823 WeakPolarHBondContact CA-OG1 3.4Å; P820-T823 PolarHBondContact O-OG1 3.25Å; T823-G825 VanDerWaalsContact C-N 3.34Å; T823-G825 PolarHBondContact O-N 2.93Å; T823-T826 WeakPolarHBondContact O-CB 3.47Å; T823-T826 PolarHBondContact O-N 2.8Å; T823-T826 VanDerWaalsContact O-N 3.14Å; T823-V827 HydrophobicContact CG2-CG2 4.4Å; T823-V827 WeakPolarHBondContact O-CG2 3.25Å; T823-V827 PolarHBondContact O-N 3.07Å; T823-V854 HydrophobicContact CG2-CG1 4.04Å |
| 824 | P | 74.5 | Confident | 77.6 | Confident | 87 Ų | 87 | 49 Ų | 49 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.5 | -35.4 | -177.4 | 24.1 | -33.3 | 0 | 0 | 0 | 113 | T826 V827 A828 | P824-T826 VanDerWaalsContact C-N 3.33Å; P824-V827 PolarHBondContact O-N 3.4Å; P824-A828 WeakPolarHBondContact O-CB 3.25Å; P824-A828 PolarHBondContact O-N 2.93Å |
| 825 | G | 75.5 | Confident | 77.2 | Confident | 52 Ų | 52 | 54 Ų | 54 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E822 T823 S829 | E822-G825 PolarHBondContact O-N 3.19Å; T823-G825 VanDerWaalsContact C-N 3.34Å; T823-G825 PolarHBondContact O-N 2.93Å; G825-S829 PolarHBondContact O-N 3.06Å |
| 826 | T | 75.1 | Confident | 77 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 175.3 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | Y779 L783 E822 T823 P824 A828 S829 L830 | Y779-T826 WeakPolarHBondContact CE1-OG1 3.41Å; Y779-T826 PolarHBondContact OH-OG1 3.08Å; L783-T826 HydrophobicContact CD1-CG2 3.49Å; L783-T826 VanDerWaalsContact CD1-CG2 3.49Å; E822-T826 PolarHBondContact O-N 3.34Å; E822-T826 VanDerWaalsContact O-N 3.14Å; E822-T826 PolarHBondContact O-OG1 3.39Å; T823-T826 WeakPolarHBondContact O-CB 3.47Å; T823-T826 PolarHBondContact O-N 2.8Å; T823-T826 VanDerWaalsContact O-N 3.14Å; P824-T826 VanDerWaalsContact C-N 3.33Å; T826-A828 PolarHBondContact O-N 2.99Å; T826-S829 WeakPolarHBondContact O-CB 3.36Å; T826-S829 PolarHBondContact O-N 3.02Å; T826-L830 HydrophobicContact CG2-CD1 4.26Å; T826-L830 WeakPolarHBondContact O-CG 3.47Å; T826-L830 PolarHBondContact O-N 3.03Å |
| 827 | V | 77.2 | Confident | 76.1 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 9% | 0.085 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | T823 P824 S829 L830 I831 L851 V854 L860 | T823-V827 HydrophobicContact CG2-CG2 4.4Å; T823-V827 WeakPolarHBondContact O-CG2 3.25Å; T823-V827 PolarHBondContact O-N 3.07Å; P824-V827 PolarHBondContact O-N 3.4Å; V827-S829 VanDerWaalsContact C-N 3.34Å; V827-S829 PolarHBondContact O-N 3.45Å; V827-L830 PolarHBondContact O-N 3.42Å; V827-I831 HydrophobicContact CG1-CD1 3.76Å; V827-I831 HydrophobicContact CG1-CG1 4.38Å; V827-I831 VanDerWaalsContact O-CG1 3.24Å; V827-I831 WeakPolarHBondContact O-CG1 3.28Å; V827-I831 PolarHBondContact O-N 3.44Å; V827-L851 HydrophobicContact CG1-CD2 4.01Å; V827-V854 HydrophobicContact CG2-CG1 4.3Å; V827-L860 HydrophobicContact CG1-CD2 4.37Å; V827-L860 HydrophobicContact CG2-CD2 3.74Å |
| 828 | A | 79.9 | Confident | 75.1 | Confident | 57 Ų | 57 | 65 Ų | 65 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P824 T826 I831 Q832 | P824-A828 WeakPolarHBondContact O-CB 3.25Å; P824-A828 PolarHBondContact O-N 2.93Å; T826-A828 PolarHBondContact O-N 2.99Å; A828-I831 PolarHBondContact O-N 3.3Å; A828-Q832 PolarHBondContact O-N 2.88Å |
| 829 | S | 80 | Confident | 74.7 | Confident | 56 Ų | 56 | 65 Ų | 65 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | G825 T826 V827 Q832 Q833 | G825-S829 PolarHBondContact O-N 3.06Å; T826-S829 WeakPolarHBondContact O-CB 3.36Å; T826-S829 PolarHBondContact O-N 3.02Å; V827-S829 VanDerWaalsContact C-N 3.34Å; V827-S829 PolarHBondContact O-N 3.45Å; S829-Q832 PolarHBondContact O-N 3.11Å; S829-Q833 WeakPolarHBondContact O-CG 3.19Å; S829-Q833 PolarHBondContact O-N 3.14Å |
| 830 | L | 79.8 | Confident | 74.7 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.9 | -66.7 | 172.6 | 0 | 0 | 0 | 111.8 | M787 T826 V827 Q832 Q833 V834 C850 L851 | M787-L830 HydrophobicContact CE-CD2 3.78Å; T826-L830 HydrophobicContact CG2-CD1 4.26Å; T826-L830 WeakPolarHBondContact O-CG 3.47Å; T826-L830 PolarHBondContact O-N 3.03Å; V827-L830 PolarHBondContact O-N 3.42Å; L830-Q832 VanDerWaalsContact C-N 3.31Å; L830-Q832 PolarHBondContact O-N 3.07Å; L830-Q833 PolarHBondContact O-N 3.48Å; L830-V834 WeakPolarHBondContact O-CG2 3.33Å; L830-V834 PolarHBondContact O-N 3.12Å; L830-V834 VanDerWaalsContact O-N 3.12Å; L830-C850 HydrophobicContact CD1-CB 3.85Å; L830-C850 HydrophobicContact CD2-CB 4.37Å; L830-L851 HydrophobicContact CB-CD1 4.47Å; L830-L851 HydrophobicContact CB-CD2 3.99Å; L830-L851 HydrophobicContact CB-CG 4.11Å; L830-L851 HydrophobicContact CD1-CD2 4.13Å; L830-L851 HydrophobicContact CD1-CG 4.31Å |
| 831 | I | 80.6 | Confident | 74.8 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.2 | -67.5 | 163.8 | 0 | 0 | 0 | 110.9 | V827 A828 Q833 V834 K835 V866 V869 | V827-I831 HydrophobicContact CG1-CD1 3.76Å; V827-I831 HydrophobicContact CG1-CG1 4.38Å; V827-I831 VanDerWaalsContact O-CG1 3.24Å; V827-I831 WeakPolarHBondContact O-CG1 3.28Å; V827-I831 PolarHBondContact O-N 3.44Å; A828-I831 PolarHBondContact O-N 3.3Å; I831-Q833 VanDerWaalsContact C-N 3.33Å; I831-Q833 PolarHBondContact O-N 3.44Å; I831-V834 PolarHBondContact O-N 3.26Å; I831-K835 HydrophobicContact CG2-CD 4.12Å; I831-K835 WeakPolarHBondContact O-CG 3.37Å; I831-K835 PolarHBondContact O-N 3.02Å; I831-V866 HydrophobicContact CD1-CG2 3.52Å; I831-V866 HydrophobicContact CG1-CG2 4.09Å; I831-V869 HydrophobicContact CG2-CG2 4.36Å |
| 832 | Q | 79.7 | Confident | 75 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65 | -37.2 | 177.7 | -168.1 | 178.2 | 9.4 | 0 | 0 | 111.9 | A828 S829 L830 V834 K835 N836 | A828-Q832 PolarHBondContact O-N 2.88Å; S829-Q832 PolarHBondContact O-N 3.11Å; L830-Q832 VanDerWaalsContact C-N 3.31Å; L830-Q832 PolarHBondContact O-N 3.07Å; Q832-V834 VanDerWaalsContact C-N 3.32Å; Q832-V834 PolarHBondContact O-N 3.47Å; Q832-K835 PolarHBondContact O-N 3.25Å; Q832-N836 WeakPolarHBondContact O-CB 3.24Å; Q832-N836 PolarHBondContact O-N 3.41Å; Q832-N836 VanDerWaalsContact O-N 3.12Å; Q832-N836 PolarHBondContact O-ND2 3.42Å; Q832-N836 PolarHBondContact O-OD1 3.33Å |
| 833 | Q | 77.4 | Confident | 75.4 | Confident | 37 Ų | 37 | 55 Ų | 55 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.4 | -32.5 | 176.7 | -73.5 | -179.1 | -8.2 | 0 | 0 | 113.1 | S829 L830 I831 T839 S847 | S829-Q833 WeakPolarHBondContact O-CG 3.19Å; S829-Q833 PolarHBondContact O-N 3.14Å; L830-Q833 PolarHBondContact O-N 3.48Å; I831-Q833 VanDerWaalsContact C-N 3.33Å; I831-Q833 PolarHBondContact O-N 3.44Å; Q833-T839 WeakPolarHBondContact O-CG2 3.45Å; Q833-T839 PolarHBondContact O-OG1 3.32Å; Q833-S847 PolarHBondContact OE1-OG 3.11Å |
| 834 | V | 76.3 | Confident | 75.9 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -76.3 | -37.6 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L830 I831 Q832 L848 V869 | L830-V834 WeakPolarHBondContact O-CG2 3.33Å; L830-V834 PolarHBondContact O-N 3.12Å; L830-V834 VanDerWaalsContact O-N 3.12Å; I831-V834 PolarHBondContact O-N 3.26Å; Q832-V834 VanDerWaalsContact C-N 3.32Å; Q832-V834 PolarHBondContact O-N 3.47Å; V834-L848 HydrophobicContact CG1-CD2 4.18Å; V834-L848 HydrophobicContact CG2-CD2 4.25Å; V834-L848 HydrophobicContact CG2-CG 4.23Å; V834-V869 HydrophobicContact CB-CG1 4.01Å; V834-V869 HydrophobicContact CG1-CG1 3.41Å; V834-V869 VanDerWaalsContact CG1-CG1 3.41Å |
| 835 | K | 76.6 | Confident | 76.3 | Confident | 110 Ų | 110 | 51.7 Ų | 51.7 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.9 | -28.6 | 178.8 | -74.1 | 179.1 | 179.8 | 175.2 | 0 | 113.4 | I831 Q832 S837 E865 V869 | I831-K835 HydrophobicContact CG2-CD 4.12Å; I831-K835 WeakPolarHBondContact O-CG 3.37Å; I831-K835 PolarHBondContact O-N 3.02Å; Q832-K835 PolarHBondContact O-N 3.25Å; K835-S837 PolarHBondContact O-N 3.17Å; K835-E865 IonicContact NZ-OE2 3.51Å; K835-V869 HydrophobicContact CD-CG2 4.38Å; K835-V869 VanDerWaalsContact CE-CG2 3.41Å; K835-V869 HydrophobicContact CG-CG2 4.09Å |
| 836 | N | 77.6 | Confident | 76.7 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | trans | -80.2 | 113.1 | -177.6 | -70.9 | -11.1 | 0 | 0 | 0 | 110.9 | Q832 S838 T839 Q844 | Q832-N836 WeakPolarHBondContact O-CB 3.24Å; Q832-N836 PolarHBondContact O-N 3.41Å; Q832-N836 VanDerWaalsContact O-N 3.12Å; Q832-N836 PolarHBondContact O-ND2 3.42Å; Q832-N836 PolarHBondContact O-OD1 3.33Å; N836-S838 PolarHBondContact O-N 3.31Å; N836-S838 VanDerWaalsContact O-N 3.13Å; N836-T839 HydrophobicContact CB-CG2 4.04Å; N836-T839 PolarHBondContact O-N 3.46Å; N836-T839 PolarHBondContact O-OG1 2.85Å; N836-Q844 PolarHBondContact O-NE2 3.17Å | ||
| 837 | S | 62.2 | Low | 77.2 | Confident | 121 Ų | 121 | 48.5 Ų | 48.5 | 85% | 0.846 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -7.2 | 177.4 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | K835 | K835-S837 PolarHBondContact O-N 3.17Š|
| 838 | S | 61 | Low | 77.5 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 74% | 0.741 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -2.4 | 178.6 | 64 | 0 | 0 | 0 | 0 | 113.8 | N836 | N836-S838 PolarHBondContact O-N 3.31Å; N836-S838 VanDerWaalsContact O-N 3.13Å |
| 839 | T | 71.7 | Confident | 77.8 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -80.2 | 146.7 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | Q833 N836 Q844 | Q833-T839 WeakPolarHBondContact O-CG2 3.45Å; Q833-T839 PolarHBondContact O-OG1 3.32Å; N836-T839 HydrophobicContact CB-CG2 4.04Å; N836-T839 PolarHBondContact O-N 3.46Å; N836-T839 PolarHBondContact O-OG1 2.85Å; T839-Q844 VanDerWaalsContact OG1-CG 3.26Å; T839-Q844 WeakPolarHBondContact OG1-CG 3.41Å; T839-Q844 PolarHBondContact OG1-NE2 3.47Å |
| 840 | P | 76.4 | Confident | 78.1 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | trans | -57 | 141.4 | 173.4 | -22.3 | 32.1 | 0 | 0 | 0 | 111.3 | S842 A843 Q844 | P840-S842 PolarHBondContact O-N 3.31Å; P840-A843 HydrophobicContact CB-CB 4.37Å; P840-A843 WeakPolarHBondContact O-CA 3.44Å; P840-A843 WeakPolarHBondContact O-CB 3.39Å; P840-A843 PolarHBondContact O-N 3.29Å; P840-Q844 PolarHBondContact O-N 3.27Å; P840-Q844 VanDerWaalsContact O-N 3.14Å | ||
| 841 | E | 76.1 | Confident | 78.3 | Confident | 113 Ų | 113 | 43 Ų | 43 | 53% | 0.528 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.1 | -36.1 | 178.9 | -62.8 | -175.5 | -168.9 | 0 | 0 | 112.1 | A843 Q844 V845 N878 | E841-A843 VanDerWaalsContact C-N 3.33Å; E841-A843 PolarHBondContact O-N 2.89Å; E841-Q844 WeakPolarHBondContact O-CB 3.4Å; E841-Q844 PolarHBondContact O-N 3.37Å; E841-V845 WeakPolarHBondContact O-CG2 2.98Å; E841-V845 PolarHBondContact O-N 3.22Å; E841-N878 PolarHBondContact OE2-ND2 3.46Å |
| 842 | S | 76.6 | Confident | 78.4 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 173.6 | 54.1 | 0 | 0 | 0 | 0 | 113 | F790 Y805 P840 L846 | F790-S842 PolarHBondContact O-OG 3.22Å; Y805-S842 WeakPolarHBondContact CE1-O 3.24Å; Y805-S842 WeakPolarHBondContact OH-CB 3.41Å; P840-S842 PolarHBondContact O-N 3.31Å; S842-L846 WeakPolarHBondContact O-CB 3.38Å; S842-L846 PolarHBondContact O-N 2.91Å |
| 843 | A | 78.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.9 | -33.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | P840 E841 S847 | P840-A843 HydrophobicContact CB-CB 4.37Å; P840-A843 WeakPolarHBondContact O-CA 3.44Å; P840-A843 WeakPolarHBondContact O-CB 3.39Å; P840-A843 PolarHBondContact O-N 3.29Å; E841-A843 VanDerWaalsContact C-N 3.33Å; E841-A843 PolarHBondContact O-N 2.89Å; A843-S847 VanDerWaalsContact O-CB 3.3Å; A843-S847 WeakPolarHBondContact O-CB 3.4Å; A843-S847 PolarHBondContact O-N 3.34Å; A843-S847 PolarHBondContact O-OG 2.77Å |
| 844 | Q | 80.2 | Confident | 78.9 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -45.4 | 174.3 | -65.4 | -179.1 | -8.3 | 0 | 0 | 111.5 | N836 T839 P840 E841 S847 L848 | N836-Q844 PolarHBondContact O-NE2 3.17Å; T839-Q844 VanDerWaalsContact OG1-CG 3.26Å; T839-Q844 WeakPolarHBondContact OG1-CG 3.41Å; T839-Q844 PolarHBondContact OG1-NE2 3.47Å; P840-Q844 PolarHBondContact O-N 3.27Å; P840-Q844 VanDerWaalsContact O-N 3.14Å; E841-Q844 WeakPolarHBondContact O-CB 3.4Å; E841-Q844 PolarHBondContact O-N 3.37Å; Q844-S847 PolarHBondContact O-N 3.46Å; Q844-L848 WeakPolarHBondContact O-CG 3.42Å; Q844-L848 PolarHBondContact O-N 3.27Å |
| 845 | V | 83.3 | Confident | 79.1 | Confident | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 111 | Y805 E841 S847 L848 L849 E880 I881 A884 | Y805-V845 HydrophobicContact CD1-CG1 4.23Å; E841-V845 WeakPolarHBondContact O-CG2 2.98Å; E841-V845 PolarHBondContact O-N 3.22Å; V845-S847 VanDerWaalsContact C-N 3.31Å; V845-S847 PolarHBondContact O-N 2.93Å; V845-L848 PolarHBondContact O-N 3.23Å; V845-L849 HydrophobicContact CG1-CD1 4.16Å; V845-L849 WeakPolarHBondContact O-CG 3.27Å; V845-L849 PolarHBondContact O-N 2.93Å; V845-L849 VanDerWaalsContact O-N 3.1Å; V845-E880 HydrophobicContact CG2-CB 4.23Å; V845-I881 HydrophobicContact CG2-CG1 3.68Å; V845-A884 HydrophobicContact CG1-CB 4.08Å |
| 846 | L | 84.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 177 | -178.1 | 64.3 | 0 | 0 | 0 | 111.6 | M787 F790 Y805 V808 S842 L848 L849 C850 | M787-L846 HydrophobicContact CE-CD2 4.44Å; M787-L846 HydrophobicContact CG-CD2 4.33Å; F790-L846 HydrophobicContact CB-CD2 3.97Å; F790-L846 HydrophobicContact CD1-CD2 4.43Å; F790-L846 HydrophobicContact CD2-CD2 3.59Å; F790-L846 HydrophobicContact CE2-CD2 4.13Å; F790-L846 HydrophobicContact CG-CD2 3.75Å; Y805-L846 HydrophobicContact CD1-CB 4.09Å; Y805-L846 HydrophobicContact CD1-CD1 4.41Å; V808-L846 HydrophobicContact CB-CD1 4.04Å; V808-L846 HydrophobicContact CG1-CD1 3.88Å; V808-L846 HydrophobicContact CG1-CD2 4.27Å; S842-L846 WeakPolarHBondContact O-CB 3.38Å; S842-L846 PolarHBondContact O-N 2.91Å; L846-L848 PolarHBondContact O-N 2.95Å; L846-L849 PolarHBondContact O-N 2.88Å; L846-C850 WeakPolarHBondContact O-CB 3.44Å; L846-C850 PolarHBondContact O-N 3.36Å; L846-C850 PolarHBondContact O-SG 2.96Å |
| 847 | S | 84.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | -178.6 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Q833 A843 Q844 V845 C850 L851 | Q833-S847 PolarHBondContact OE1-OG 3.11Å; A843-S847 VanDerWaalsContact O-CB 3.3Å; A843-S847 WeakPolarHBondContact O-CB 3.4Å; A843-S847 PolarHBondContact O-N 3.34Å; A843-S847 PolarHBondContact O-OG 2.77Å; Q844-S847 PolarHBondContact O-N 3.46Å; V845-S847 VanDerWaalsContact C-N 3.31Å; V845-S847 PolarHBondContact O-N 2.93Å; S847-C850 PolarHBondContact O-N 3.02Å; S847-L851 VanDerWaalsContact O-CG 3.29Å; S847-L851 WeakPolarHBondContact O-CG 3.47Å; S847-L851 PolarHBondContact O-N 2.96Å |
| 848 | L | 84.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.9 | -72.3 | 169.4 | 0 | 0 | 0 | 111.8 | V834 Q844 V845 L846 L851 G852 A873 I881 A884 A885 A888 | V834-L848 HydrophobicContact CG1-CD2 4.18Å; V834-L848 HydrophobicContact CG2-CD2 4.25Å; V834-L848 HydrophobicContact CG2-CG 4.23Å; Q844-L848 WeakPolarHBondContact O-CG 3.42Å; Q844-L848 PolarHBondContact O-N 3.27Å; V845-L848 PolarHBondContact O-N 3.23Å; L846-L848 PolarHBondContact O-N 2.95Å; L848-L851 PolarHBondContact O-N 2.76Å; L848-G852 PolarHBondContact O-N 2.73Å; L848-A873 HydrophobicContact CD1-CB 4.21Å; L848-A873 HydrophobicContact CD2-CB 4.47Å; L848-I881 HydrophobicContact CD1-CG2 3.82Å; L848-A884 HydrophobicContact CB-CB 4.23Å; L848-A884 HydrophobicContact CD1-CB 4.42Å; L848-A885 HydrophobicContact CD1-CB 4.28Å; L848-A888 WeakPolarHBondContact O-CB 3.36Å |
| 849 | L | 85.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.1 | -68 | 173.9 | 0 | 0 | 0 | 112.3 | A809 V845 L846 L851 G852 E853 A884 C887 | A809-L849 HydrophobicContact CB-CB 3.81Å; V845-L849 HydrophobicContact CG1-CD1 4.16Å; V845-L849 WeakPolarHBondContact O-CG 3.27Å; V845-L849 PolarHBondContact O-N 2.93Å; V845-L849 VanDerWaalsContact O-N 3.1Å; L846-L849 PolarHBondContact O-N 2.88Å; L849-L851 PolarHBondContact O-N 2.71Å; L849-G852 PolarHBondContact O-N 3.24Å; L849-E853 PolarHBondContact O-N 2.67Å; L849-A884 HydrophobicContact CD2-CB 4.08Å; L849-A884 HydrophobicContact CG-CB 4.06Å; L849-C887 HydrophobicContact CD2-CB 4.26Å |
| 850 | C | 85.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 173.5 | -73.6 | 0 | 0 | 0 | 0 | 111.4 | V812 L830 L846 S847 G852 E853 V854 | V812-C850 HydrophobicContact CG1-CB 4.39Å; L830-C850 HydrophobicContact CD1-CB 3.85Å; L830-C850 HydrophobicContact CD2-CB 4.37Å; L846-C850 WeakPolarHBondContact O-CB 3.44Å; L846-C850 PolarHBondContact O-N 3.36Å; L846-C850 PolarHBondContact O-SG 2.96Å; S847-C850 PolarHBondContact O-N 3.02Å; C850-G852 VanDerWaalsContact C-N 3.3Å; C850-G852 PolarHBondContact O-N 2.96Å; C850-E853 PolarHBondContact O-N 3.34Å; C850-V854 VanDerWaalsContact O-CB 3.29Å; C850-V854 WeakPolarHBondContact O-CB 3.48Å; C850-V854 WeakPolarHBondContact O-CG2 3.4Å; C850-V854 PolarHBondContact O-N 3.38Å |
| 851 | L | 84.5 | Confident | 78 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.5 | -72.4 | 170.6 | 0 | 0 | 0 | 111.7 | V827 L830 S847 L848 L849 G855 | V827-L851 HydrophobicContact CG1-CD2 4.01Å; L830-L851 HydrophobicContact CB-CD1 4.47Å; L830-L851 HydrophobicContact CB-CD2 3.99Å; L830-L851 HydrophobicContact CB-CG 4.11Å; L830-L851 HydrophobicContact CD1-CD2 4.13Å; L830-L851 HydrophobicContact CD1-CG 4.31Å; S847-L851 VanDerWaalsContact O-CG 3.29Å; S847-L851 WeakPolarHBondContact O-CG 3.47Å; S847-L851 PolarHBondContact O-N 2.96Å; L848-L851 PolarHBondContact O-N 2.76Å; L849-L851 PolarHBondContact O-N 2.71Å; L851-G855 PolarHBondContact O-N 3.49Å |
| 852 | G | 83.9 | Confident | 77.1 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -53 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | L848 L849 C850 G855 R856 G891 | L848-G852 PolarHBondContact O-N 2.73Å; L849-G852 PolarHBondContact O-N 3.24Å; C850-G852 VanDerWaalsContact C-N 3.3Å; C850-G852 PolarHBondContact O-N 2.96Å; G852-G855 PolarHBondContact O-N 2.98Å; G852-R856 WeakPolarHBondContact O-CB 3.44Å; G852-R856 PolarHBondContact O-N 3.47Å; G852-G891 CarbonylContact O-C 3.42Å |
| 853 | E | 83.8 | Confident | 76.4 | Confident | 21 Ų | 21 | 24.7 Ų | 24.7 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.4 | -33.1 | -176.9 | -66.4 | -72.7 | -164.3 | 0 | 0 | 112.5 | A809 R810 A813 L849 C850 R856 S857 | A809-E853 HydrophobicContact CB-CG 4.16Å; R810-E853 HydrophobicContact CG-CG 3.95Å; R810-E853 WeakPolarHBondContact CG-OE1 3.35Å; R810-E853 IonicContact CZ-OE1 3.69Å; R810-E853 IonicContact NE-OE1 3.71Å; R810-E853 PolarHBondContact NE-OE1 3.32Å; R810-E853 IonicContact NH2-OE1 2.89Å; A813-E853 HydrophobicContact CB-CB 3.7Å; A813-E853 WeakPolarHBondContact CB-O 3.46Å; L849-E853 PolarHBondContact O-N 2.67Å; C850-E853 PolarHBondContact O-N 3.34Å; E853-R856 PolarHBondContact O-N 2.94Å; E853-R856 IonicContact OE1-NH1 2.84Å; E853-R856 WeakPolarHBondContact OE2-CD 3.37Å; E853-R856 IonicContact OE2-NH1 3.54Å; E853-R856 PolarHBondContact OE2-NH1 3.3Å; E853-S857 PolarHBondContact O-N 3.42Å; E853-S857 PolarHBondContact O-OG 3.09Å |
| 854 | V | 83.6 | Confident | 75.8 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 170.4 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | A813 T823 V827 C850 R856 S857 G858 L860 | A813-V854 HydrophobicContact CB-CG2 4.17Å; T823-V854 HydrophobicContact CG2-CG1 4.04Å; V827-V854 HydrophobicContact CG2-CG1 4.3Å; C850-V854 VanDerWaalsContact O-CB 3.29Å; C850-V854 WeakPolarHBondContact O-CB 3.48Å; C850-V854 WeakPolarHBondContact O-CG2 3.4Å; C850-V854 PolarHBondContact O-N 3.38Å; V854-R856 VanDerWaalsContact C-N 3.26Å; V854-R856 PolarHBondContact O-N 3.49Å; V854-S857 PolarHBondContact O-N 2.8Å; V854-G858 PolarHBondContact O-N 3.42Å; V854-L860 HydrophobicContact CG1-CD1 4.49Å; V854-L860 HydrophobicContact CG1-CD2 4.3Å |
| 855 | G | 79.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -25.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L851 G852 G858 L860 G895 | L851-G855 PolarHBondContact O-N 3.49Å; G852-G855 PolarHBondContact O-N 2.98Å; G855-G858 CarbonylContact C-O 3.51Å; G855-G858 WeakPolarHBondContact CA-O 3.48Å; G855-L860 VanDerWaalsContact CA-CD1 3.49Å; G855-G895 WeakPolarHBondContact O-CA 3.46Å |
| 856 | R | 79.9 | Confident | 74.8 | Confident | 60 Ų | 60 | 36.8 Ų | 36.8 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.2 | -40.8 | 171.5 | 178.2 | 178.1 | -105.5 | 147.4 | -2.2 | 112 | G852 E853 V854 G891 V894 E924 | G852-R856 WeakPolarHBondContact O-CB 3.44Å; G852-R856 PolarHBondContact O-N 3.47Å; E853-R856 PolarHBondContact O-N 2.94Å; E853-R856 IonicContact OE1-NH1 2.84Å; E853-R856 WeakPolarHBondContact OE2-CD 3.37Å; E853-R856 IonicContact OE2-NH1 3.54Å; E853-R856 PolarHBondContact OE2-NH1 3.3Å; V854-R856 VanDerWaalsContact C-N 3.26Å; V854-R856 PolarHBondContact O-N 3.49Å; R856-G891 VanDerWaalsContact CA-O 3.28Å; R856-G891 WeakPolarHBondContact CA-O 3.45Å; R856-G891 WeakPolarHBondContact CB-O 3.4Å; R856-G891 PolarHBondContact N-O 3.34Å; R856-V894 HydrophobicContact CG-CB 4.46Å; R856-V894 HydrophobicContact CG-CG1 4.28Å; R856-E924 IonicContact CZ-OE1 3.44Å; R856-E924 IonicContact NH1-OE1 3.97Å; R856-E924 PolarHBondContact NH1-OE1 2.98Å; R856-E924 IonicContact NH2-OE1 2.97Å; R856-E924 PolarHBondContact NH2-OE1 2.67Å |
| 857 | S | 74.1 | Confident | 74.4 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 50% | 0.503 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -84.8 | -23.3 | -174.7 | -53.3 | 0 | 0 | 0 | 0 | 113.5 | E853 V854 | E853-S857 PolarHBondContact O-N 3.42Å; E853-S857 PolarHBondContact O-OG 3.09Å; V854-S857 PolarHBondContact O-N 2.8Å |
| 858 | G | 69.4 | Low | 74 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -146.1 | 150.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V854 G855 L860 | V854-G858 PolarHBondContact O-N 3.42Å; G855-G858 CarbonylContact C-O 3.51Å; G855-G858 WeakPolarHBondContact CA-O 3.48Å; G858-L860 PolarHBondContact O-N 3.22Å |
| 859 | S | 63.7 | Low | 73.8 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 61% | 0.608 | 26% | 0.257 | S | S | * | . | trans | -71 | 112.5 | 178.9 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | G861 | S859-G861 PolarHBondContact O-N 2.87Å; S859-G861 PolarHBondContact OG-N 2.94Å | ||
| 860 | L | 64.6 | Low | 73.5 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | trans | -83 | 25.7 | 168.3 | -68.8 | 172.6 | 0 | 0 | 0 | 112.3 | V827 V854 G855 G858 G862 M892 | V827-L860 HydrophobicContact CG1-CD2 4.37Å; V827-L860 HydrophobicContact CG2-CD2 3.74Å; V854-L860 HydrophobicContact CG1-CD1 4.49Å; V854-L860 HydrophobicContact CG1-CD2 4.3Å; G855-L860 VanDerWaalsContact CA-CD1 3.49Å; G858-L860 PolarHBondContact O-N 3.22Å; L860-G862 PolarHBondContact O-N 3.47Å; L860-M892 HydrophobicContact CB-CE 4.39Å; L860-M892 HydrophobicContact CD1-CE 4.04Å; L860-M892 HydrophobicContact CD1-CG 4.45Å | ||
| 861 | G | 52 | Low | 73.2 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | 129.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S859 | S859-G861 PolarHBondContact O-N 2.87Å; S859-G861 PolarHBondContact OG-N 2.94Å |
| 862 | G | 56.6 | Low | 73.1 | Confident | 57 Ų | 57 | 48 Ų | 48 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -6.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 119 | L860 K864 | L860-G862 PolarHBondContact O-N 3.47Å; G862-K864 PolarHBondContact O-N 3.43Å; G862-K864 VanDerWaalsContact O-N 3.1Å |
| 863 | S | 61.1 | Low | 72.9 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | trans | -84.3 | 86.1 | -179.6 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | E865 V866 | S863-E865 PolarHBondContact O-N 2.96Å; S863-V866 PolarHBondContact O-N 3.41Å; S863-V866 VanDerWaalsContact OG-CG2 3.23Å; S863-V866 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 864 | K | 66.3 | Low | 72.8 | Confident | 175 Ų | 175 | 47.9 Ų | 47.9 | 76% | 0.761 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -52.4 | -26.8 | 173 | -71.7 | -174.7 | 177.9 | 179.3 | 0 | 113.5 | G862 Q867 G868 | G862-K864 PolarHBondContact O-N 3.43Å; G862-K864 VanDerWaalsContact O-N 3.1Å; K864-Q867 PolarHBondContact O-N 3.4Å; K864-G868 PolarHBondContact O-N 3.27Å; K864-G868 VanDerWaalsContact O-N 3.11Å |
| 865 | E | 71.3 | Confident | 72.6 | Confident | 125 Ų | 125 | 51.1 Ų | 51.1 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 175.5 | -66.3 | -168.5 | -172 | 0 | 0 | 113.1 | K835 S863 G868 V869 | K835-E865 IonicContact NZ-OE2 3.51Å; S863-E865 PolarHBondContact O-N 2.96Å; E865-G868 PolarHBondContact O-N 2.89Å; E865-V869 VanDerWaalsContact O-CG2 3.24Å; E865-V869 WeakPolarHBondContact O-CG2 3.4Å; E865-V869 PolarHBondContact O-N 3.24Å |
| 866 | V | 73.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 180 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | I831 S863 G868 V869 I870 M892 | I831-V866 HydrophobicContact CD1-CG2 3.52Å; I831-V866 HydrophobicContact CG1-CG2 4.09Å; S863-V866 PolarHBondContact O-N 3.41Å; S863-V866 VanDerWaalsContact OG-CG2 3.23Å; S863-V866 WeakPolarHBondContact OG-CG2 3.24Å; V866-G868 VanDerWaalsContact C-N 3.34Å; V866-G868 PolarHBondContact O-N 2.89Å; V866-V869 PolarHBondContact O-N 2.82Å; V866-I870 HydrophobicContact CG1-CD1 3.95Å; V866-I870 HydrophobicContact CG1-CG1 4.45Å; V866-I870 WeakPolarHBondContact O-CG1 3.44Å; V866-I870 PolarHBondContact O-N 2.66Å; V866-M892 HydrophobicContact CB-CE 4.21Å; V866-M892 HydrophobicContact CG1-CE 3.48Å; V866-M892 VanDerWaalsContact CG1-CE 3.48Å; V866-M892 HydrophobicContact CG1-SD 3.79Å |
| 867 | Q | 74.9 | Confident | 72.5 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 173.3 | -68.3 | 175.4 | -10.3 | 0 | 0 | 111.4 | K864 L871 F900 F903 | K864-Q867 PolarHBondContact O-N 3.4Å; Q867-L871 WeakPolarHBondContact O-CG 3.3Å; Q867-L871 PolarHBondContact O-N 2.87Å; Q867-L871 VanDerWaalsContact O-N 3.12Å; Q867-F900 HydrophobicContact CG-CD1 4.36Å; Q867-F900 HydrophobicContact CG-CE1 3.63Å; Q867-F900 HydrophobicContact CG-CZ 4.4Å; Q867-F900 VanDerWaalsContact NE2-CE1 3.29Å; Q867-F903 HydrophobicContact CB-CZ 4.35Å; Q867-F903 HydrophobicContact CG-CE1 4.4Å |
| 868 | G | 76.9 | Confident | 72.8 | Confident | 39 Ų | 39 | 55 Ų | 55 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K864 E865 V866 L871 E872 | K864-G868 PolarHBondContact O-N 3.27Å; K864-G868 VanDerWaalsContact O-N 3.11Å; E865-G868 PolarHBondContact O-N 2.89Å; V866-G868 VanDerWaalsContact C-N 3.34Å; V866-G868 PolarHBondContact O-N 2.89Å; G868-L871 PolarHBondContact O-N 3.41Å; G868-E872 PolarHBondContact O-N 3.01Å |
| 869 | V | 79.6 | Confident | 73.4 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.055 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | I831 V834 K835 E865 V866 E872 A873 | I831-V869 HydrophobicContact CG2-CG2 4.36Å; V834-V869 HydrophobicContact CB-CG1 4.01Å; V834-V869 HydrophobicContact CG1-CG1 3.41Å; V834-V869 VanDerWaalsContact CG1-CG1 3.41Å; K835-V869 HydrophobicContact CD-CG2 4.38Å; K835-V869 VanDerWaalsContact CE-CG2 3.41Å; K835-V869 HydrophobicContact CG-CG2 4.09Å; E865-V869 VanDerWaalsContact O-CG2 3.24Å; E865-V869 WeakPolarHBondContact O-CG2 3.4Å; E865-V869 PolarHBondContact O-N 3.24Å; V866-V869 PolarHBondContact O-N 2.82Å; V869-E872 PolarHBondContact O-N 3.12Å; V869-A873 PolarHBondContact O-N 3.29Å |
| 870 | I | 79.7 | Confident | 74.2 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 177.2 | -68.7 | 172.9 | 0 | 0 | 0 | 111.2 | V866 E872 A873 F874 A885 L889 M892 | V866-I870 HydrophobicContact CG1-CD1 3.95Å; V866-I870 HydrophobicContact CG1-CG1 4.45Å; V866-I870 WeakPolarHBondContact O-CG1 3.44Å; V866-I870 PolarHBondContact O-N 2.66Å; I870-E872 VanDerWaalsContact C-N 3.31Å; I870-E872 PolarHBondContact O-N 3.1Å; I870-A873 WeakPolarHBondContact O-CB 3.24Å; I870-A873 PolarHBondContact O-N 3.46Å; I870-F874 HydrophobicContact CG2-CZ 4.37Å; I870-F874 PolarHBondContact O-N 3.16Å; I870-F874 VanDerWaalsContact O-N 3.16Å; I870-A885 HydrophobicContact CG2-CB 4.28Å; I870-L889 HydrophobicContact CG2-CB 4.06Å; I870-L889 HydrophobicContact CG2-CD1 4.49Å; I870-M892 HydrophobicContact CD1-SD 3.48Å; I870-M892 WeakPolarHBondContact CD1-SD 3.29Å |
| 871 | L | 79.7 | Confident | 75 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.5 | -33.3 | 176.6 | -73.2 | -176.9 | 0 | 0 | 0 | 112.8 | Q867 G868 F874 F903 R914 | Q867-L871 WeakPolarHBondContact O-CG 3.3Å; Q867-L871 PolarHBondContact O-N 2.87Å; Q867-L871 VanDerWaalsContact O-N 3.12Å; G868-L871 PolarHBondContact O-N 3.41Å; L871-F874 HydrophobicContact CD2-CD2 3.91Å; L871-F874 HydrophobicContact CD2-CE2 4.1Å; L871-F874 PolarHBondContact O-N 3.21Å; L871-F903 HydrophobicContact CD1-CZ 3.88Å; L871-F903 HydrophobicContact CG-CZ 4.4Å; L871-R914 PolarHBondContact O-NH2 3.17Å |
| 872 | E | 81.7 | Confident | 76.6 | Confident | 139 Ų | 139 | 58.5 Ų | 58.5 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 172 | -170.6 | 171.9 | -170.8 | 0 | 0 | 110.7 | G868 V869 I870 F874 S875 | G868-E872 PolarHBondContact O-N 3.01Å; V869-E872 PolarHBondContact O-N 3.12Å; I870-E872 VanDerWaalsContact C-N 3.31Å; I870-E872 PolarHBondContact O-N 3.1Å; E872-F874 VanDerWaalsContact C-N 3.26Å; E872-F874 PolarHBondContact O-N 3.08Å; E872-S875 WeakPolarHBondContact O-CB 3.32Å; E872-S875 PolarHBondContact O-N 3.41Å |
| 873 | A | 80.5 | Confident | 77.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -29.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L848 V869 I870 S875 S876 I881 A885 | L848-A873 HydrophobicContact CD1-CB 4.21Å; L848-A873 HydrophobicContact CD2-CB 4.47Å; V869-A873 PolarHBondContact O-N 3.29Å; I870-A873 WeakPolarHBondContact O-CB 3.24Å; I870-A873 PolarHBondContact O-N 3.46Å; A873-S875 PolarHBondContact O-N 3.35Å; A873-S876 VanDerWaalsContact O-CB 3.23Å; A873-S876 WeakPolarHBondContact O-CB 3.42Å; A873-S876 PolarHBondContact O-N 3.3Å; A873-I881 HydrophobicContact CB-CG2 4.15Å; A873-A885 HydrophobicContact CB-CB 3.89Å |
| 874 | F | 80.6 | Confident | 78.9 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.7 | 171.7 | -73.5 | -27.4 | 0 | 0 | 0 | 114.4 | I870 L871 E872 A885 L889 L917 L918 | I870-F874 HydrophobicContact CG2-CZ 4.37Å; I870-F874 PolarHBondContact O-N 3.16Å; I870-F874 VanDerWaalsContact O-N 3.16Å; L871-F874 HydrophobicContact CD2-CD2 3.91Å; L871-F874 HydrophobicContact CD2-CE2 4.1Å; L871-F874 PolarHBondContact O-N 3.21Å; E872-F874 VanDerWaalsContact C-N 3.26Å; E872-F874 PolarHBondContact O-N 3.08Å; F874-A885 HydrophobicContact CD1-CB 3.79Å; F874-A885 HydrophobicContact CE1-CB 3.71Å; F874-L889 HydrophobicContact CE2-CD2 4.06Å; F874-L889 HydrophobicContact CZ-CD2 4.05Å; F874-L917 HydrophobicContact CB-CD1 4.25Å; F874-L917 HydrophobicContact CD1-CB 4.23Å; F874-L917 HydrophobicContact CD1-CD1 3.69Å; F874-L917 HydrophobicContact CE1-CB 3.98Å; F874-L917 HydrophobicContact CE1-CD1 4.23Å; F874-L917 HydrophobicContact CG-CD1 4.11Å; F874-L917 HydrophobicContact CZ-CB 4.29Å; F874-L918 HydrophobicContact CE2-CD2 3.76Å; F874-L918 HydrophobicContact CE2-CG 4.36Å; F874-L918 HydrophobicContact CZ-CD2 4.38Å |
| 875 | S | 79.5 | Confident | 79.8 | Confident | 77 Ų | 77 | 48 Ų | 48 | 54% | 0.538 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 4.1 | 179.8 | -44.2 | 0 | 0 | 0 | 0 | 112.4 | E872 A873 R914 | E872-S875 WeakPolarHBondContact O-CB 3.32Å; E872-S875 PolarHBondContact O-N 3.41Å; A873-S875 PolarHBondContact O-N 3.35Å; S875-R914 PolarHBondContact OG-NH2 3.31Å |
| 876 | S | 80.2 | Confident | 80.4 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | trans | -65.8 | 156.7 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | A873 N878 K882 | A873-S876 VanDerWaalsContact O-CB 3.23Å; A873-S876 WeakPolarHBondContact O-CB 3.42Å; A873-S876 PolarHBondContact O-N 3.3Å; S876-N878 PolarHBondContact OG-N 3.07Å; S876-K882 WeakPolarHBondContact O-CE 3.5Å | ||
| 877 | T | 78.2 | Confident | 80.9 | Confident | 141 Ų | 141 | 44.7 Ų | 44.7 | 87% | 0.865 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -77.6 | -22.3 | 176.3 | 49 | 0 | 0 | 0 | 0 | 113 | ||
| 878 | N | 80.3 | Confident | 81.4 | Confident | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.203 | 25% | 0.247 | C | C | . | . | trans | -90.7 | 125.5 | -177.5 | -171.2 | -20.1 | 0 | 0 | 0 | 111.9 | E841 S876 E880 I881 K882 | E841-N878 PolarHBondContact OE2-ND2 3.46Å; S876-N878 PolarHBondContact OG-N 3.07Å; N878-E880 VanDerWaalsContact C-N 3.33Å; N878-E880 PolarHBondContact O-N 3.34Å; N878-E880 PolarHBondContact OD1-N 3.15Å; N878-I881 HydrophobicContact CB-CB 4.45Å; N878-I881 HydrophobicContact CB-CD1 4.05Å; N878-I881 HydrophobicContact CB-CG1 4.18Å; N878-I881 PolarHBondContact O-N 3.49Å; N878-K882 PolarHBondContact O-N 3.16Å | ||
| 879 | E | 81.1 | Confident | 81.8 | Confident | 112 Ų | 112 | 41.2 Ų | 41.2 | 52% | 0.523 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -31.1 | 178 | -72 | -61.4 | 135.5 | 0 | 0 | 113.4 | I881 K882 T883 | E879-I881 VanDerWaalsContact C-N 3.34Å; E879-I881 PolarHBondContact O-N 3.12Å; E879-K882 PolarHBondContact O-N 3.31Å; E879-K882 IonicContact OE1-NZ 3.78Å; E879-K882 PolarHBondContact OE1-NZ 3.13Å; E879-T883 WeakPolarHBondContact O-CG2 3.44Å; E879-T883 PolarHBondContact O-N 3.3Å; E879-T883 PolarHBondContact O-OG1 2.74Å |
| 880 | E | 79.6 | Confident | 81.9 | Confident | 105 Ų | 105 | 40.8 Ų | 40.8 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 177.7 | -64.5 | -168.2 | 161.8 | 0 | 0 | 111.6 | V845 N878 T883 A884 | V845-E880 HydrophobicContact CG2-CB 4.23Å; N878-E880 VanDerWaalsContact C-N 3.33Å; N878-E880 PolarHBondContact O-N 3.34Å; N878-E880 PolarHBondContact OD1-N 3.15Å; E880-T883 PolarHBondContact O-OG1 3.08Å; E880-T883 VanDerWaalsContact O-OG1 3.05Å; E880-A884 WeakPolarHBondContact O-CB 3.38Å; E880-A884 PolarHBondContact O-N 2.64Å |
| 881 | I | 82.8 | Confident | 82 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68 | -42 | 175.5 | -64 | 177.5 | 0 | 0 | 0 | 110.3 | V845 L848 A873 N878 E879 T883 A884 A885 | V845-I881 HydrophobicContact CG2-CG1 3.68Å; L848-I881 HydrophobicContact CD1-CG2 3.82Å; A873-I881 HydrophobicContact CB-CG2 4.15Å; N878-I881 HydrophobicContact CB-CB 4.45Å; N878-I881 HydrophobicContact CB-CD1 4.05Å; N878-I881 HydrophobicContact CB-CG1 4.18Å; N878-I881 PolarHBondContact O-N 3.49Å; E879-I881 VanDerWaalsContact C-N 3.34Å; E879-I881 PolarHBondContact O-N 3.12Å; I881-T883 PolarHBondContact O-N 3.47Å; I881-A884 PolarHBondContact O-N 3.1Å; I881-A885 VanDerWaalsContact O-CB 3.25Å; I881-A885 WeakPolarHBondContact O-CB 3.45Å; I881-A885 PolarHBondContact O-N 3.42Å |
| 882 | K | 84.6 | Confident | 82.1 | Confident | 43 Ų | 43 | 39.5 Ų | 39.5 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 177 | -68.3 | 178.8 | -165.6 | 169.2 | 0 | 112.1 | S876 N878 E879 A885 S886 L917 | S876-K882 WeakPolarHBondContact O-CE 3.5Å; N878-K882 PolarHBondContact O-N 3.16Å; E879-K882 PolarHBondContact O-N 3.31Å; E879-K882 IonicContact OE1-NZ 3.78Å; E879-K882 PolarHBondContact OE1-NZ 3.13Å; K882-A885 PolarHBondContact O-N 3.12Å; K882-S886 WeakPolarHBondContact O-CB 3.28Å; K882-S886 PolarHBondContact O-N 3.15Å; K882-L917 HydrophobicContact CB-CD1 3.95Å; K882-L917 HydrophobicContact CB-CD2 4.12Å; K882-L917 HydrophobicContact CD-CD1 4.24Å; K882-L917 HydrophobicContact CG-CD1 4.25Å |
| 883 | T | 82.7 | Confident | 82 | Confident | 47 Ų | 47 | 32.9 Ų | 32.9 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 178.9 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | E879 E880 I881 A885 S886 C887 | E879-T883 WeakPolarHBondContact O-CG2 3.44Å; E879-T883 PolarHBondContact O-N 3.3Å; E879-T883 PolarHBondContact O-OG1 2.74Å; E880-T883 PolarHBondContact O-OG1 3.08Å; E880-T883 VanDerWaalsContact O-OG1 3.05Å; I881-T883 PolarHBondContact O-N 3.47Å; T883-A885 PolarHBondContact O-N 2.99Å; T883-S886 PolarHBondContact O-N 3.48Å; T883-C887 PolarHBondContact O-N 3.12Å; T883-C887 PolarHBondContact O-SG 3.29Å; T883-C887 VanDerWaalsContact O-SG 3.39Å |
| 884 | A | 83.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V845 L848 L849 E880 I881 S886 C887 A888 | V845-A884 HydrophobicContact CG1-CB 4.08Å; L848-A884 HydrophobicContact CB-CB 4.23Å; L848-A884 HydrophobicContact CD1-CB 4.42Å; L849-A884 HydrophobicContact CD2-CB 4.08Å; L849-A884 HydrophobicContact CG-CB 4.06Å; E880-A884 WeakPolarHBondContact O-CB 3.38Å; E880-A884 PolarHBondContact O-N 2.64Å; I881-A884 PolarHBondContact O-N 3.1Å; A884-S886 VanDerWaalsContact C-N 3.32Å; A884-S886 PolarHBondContact O-N 3.16Å; A884-C887 PolarHBondContact O-N 3.36Å; A884-A888 VanDerWaalsContact O-CB 3.25Å; A884-A888 WeakPolarHBondContact O-CB 3.49Å; A884-A888 PolarHBondContact O-N 3.09Å |
| 885 | A | 85.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L848 I870 A873 F874 I881 K882 T883 A888 L889 | L848-A885 HydrophobicContact CD1-CB 4.28Å; I870-A885 HydrophobicContact CG2-CB 4.28Å; A873-A885 HydrophobicContact CB-CB 3.89Å; F874-A885 HydrophobicContact CD1-CB 3.79Å; F874-A885 HydrophobicContact CE1-CB 3.71Å; I881-A885 VanDerWaalsContact O-CB 3.25Å; I881-A885 WeakPolarHBondContact O-CB 3.45Å; I881-A885 PolarHBondContact O-N 3.42Å; K882-A885 PolarHBondContact O-N 3.12Å; T883-A885 PolarHBondContact O-N 2.99Å; A885-A888 PolarHBondContact O-N 2.9Å; A885-L889 WeakPolarHBondContact O-CB 3.09Å; A885-L889 PolarHBondContact O-N 3.47Å |
| 886 | S | 85.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | K882 T883 A884 A888 L889 G890 L917 H920 S921 | K882-S886 WeakPolarHBondContact O-CB 3.28Å; K882-S886 PolarHBondContact O-N 3.15Å; T883-S886 PolarHBondContact O-N 3.48Å; A884-S886 VanDerWaalsContact C-N 3.32Å; A884-S886 PolarHBondContact O-N 3.16Å; S886-A888 VanDerWaalsContact C-N 3.32Å; S886-A888 PolarHBondContact O-N 3.49Å; S886-L889 PolarHBondContact O-N 3Å; S886-G890 PolarHBondContact O-N 3.33Å; S886-L917 PolarHBondContact OG-O 2.91Å; S886-H920 VanDerWaalsContact OG-CB 3.31Å; S886-H920 WeakPolarHBondContact OG-CB 3.28Å; S886-S921 WeakPolarHBondContact CA-OG 3.37Å; S886-S921 WeakPolarHBondContact O-CB 3.47Å; S886-S921 PolarHBondContact O-OG 3.3Å; S886-S921 PolarHBondContact OG-N 2.7Å; S886-S921 PolarHBondContact OG-OG 3.47Å; S886-S921 VanDerWaalsContact OG-OG 3.07Å |
| 887 | C | 83.3 | Confident | 81.3 | Confident | 52 Ų | 52 | 31.3 Ų | 31.3 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 173.4 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | L849 T883 A884 G890 G891 | L849-C887 HydrophobicContact CD2-CB 4.26Å; T883-C887 PolarHBondContact O-N 3.12Å; T883-C887 PolarHBondContact O-SG 3.29Å; T883-C887 VanDerWaalsContact O-SG 3.39Å; A884-C887 PolarHBondContact O-N 3.36Å; C887-G890 PolarHBondContact O-N 2.85Å; C887-G891 PolarHBondContact O-N 3.5Å |
| 888 | A | 84.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L848 A884 A885 S886 G890 G891 M892 | L848-A888 WeakPolarHBondContact O-CB 3.36Å; A884-A888 VanDerWaalsContact O-CB 3.25Å; A884-A888 WeakPolarHBondContact O-CB 3.49Å; A884-A888 PolarHBondContact O-N 3.09Å; A885-A888 PolarHBondContact O-N 2.9Å; S886-A888 VanDerWaalsContact C-N 3.32Å; S886-A888 PolarHBondContact O-N 3.49Å; A888-G890 VanDerWaalsContact C-N 3.33Å; A888-G890 PolarHBondContact O-N 3.12Å; A888-G891 PolarHBondContact O-N 3.34Å; A888-M892 WeakPolarHBondContact O-CB 3.46Å; A888-M892 VanDerWaalsContact O-CG 3.26Å; A888-M892 WeakPolarHBondContact O-CG 3.41Å; A888-M892 PolarHBondContact O-N 3.17Å |
| 889 | L | 85.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.7 | -173.6 | 60.2 | 0 | 0 | 0 | 111.7 | I870 F874 A885 S886 A893 F900 F903 M904 L918 | I870-L889 HydrophobicContact CG2-CB 4.06Å; I870-L889 HydrophobicContact CG2-CD1 4.49Å; F874-L889 HydrophobicContact CE2-CD2 4.06Å; F874-L889 HydrophobicContact CZ-CD2 4.05Å; A885-L889 WeakPolarHBondContact O-CB 3.09Å; A885-L889 PolarHBondContact O-N 3.47Å; S886-L889 PolarHBondContact O-N 3Å; L889-A893 WeakPolarHBondContact O-CB 3.43Å; L889-A893 PolarHBondContact O-N 3.23Å; L889-F900 HydrophobicContact CD1-CD1 4.45Å; L889-F903 HydrophobicContact CD1-CE1 4.5Å; L889-M904 HydrophobicContact CD2-CG 4.16Å; L889-M904 HydrophobicContact CD2-SD 4.19Å; L889-M904 HydrophobicContact CG-CG 4.29Å; L889-M904 HydrophobicContact CG-SD 3.99Å; L889-L918 HydrophobicContact CD2-CD2 3.71Å |
| 890 | G | 83.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S886 C887 A888 M892 A893 V894 V925 | S886-G890 PolarHBondContact O-N 3.33Å; C887-G890 PolarHBondContact O-N 2.85Å; A888-G890 VanDerWaalsContact C-N 3.33Å; A888-G890 PolarHBondContact O-N 3.12Å; G890-M892 PolarHBondContact O-N 3.05Å; G890-A893 PolarHBondContact O-N 2.94Å; G890-V894 WeakPolarHBondContact O-CG2 3.4Å; G890-V894 PolarHBondContact O-N 2.99Å; G890-V925 WeakPolarHBondContact O-CG2 3.23Å |
| 891 | G | 81.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G852 R856 C887 A888 A893 V894 | G852-G891 CarbonylContact O-C 3.42Å; R856-G891 VanDerWaalsContact CA-O 3.28Å; R856-G891 WeakPolarHBondContact CA-O 3.45Å; R856-G891 WeakPolarHBondContact CB-O 3.4Å; R856-G891 PolarHBondContact N-O 3.34Å; C887-G891 PolarHBondContact O-N 3.5Å; A888-G891 PolarHBondContact O-N 3.34Å; G891-A893 VanDerWaalsContact C-N 3.33Å; G891-A893 PolarHBondContact O-N 3.16Å; G891-V894 WeakPolarHBondContact O-CB 3.36Å; G891-V894 PolarHBondContact O-N 3.44Å |
| 892 | M | 81.4 | Confident | 80.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.7 | -70.2 | 178.2 | 68.2 | 0 | 0 | 112.8 | L860 V866 I870 A888 G890 V894 G895 S896 F900 | L860-M892 HydrophobicContact CB-CE 4.39Å; L860-M892 HydrophobicContact CD1-CE 4.04Å; L860-M892 HydrophobicContact CD1-CG 4.45Å; V866-M892 HydrophobicContact CB-CE 4.21Å; V866-M892 HydrophobicContact CG1-CE 3.48Å; V866-M892 VanDerWaalsContact CG1-CE 3.48Å; V866-M892 HydrophobicContact CG1-SD 3.79Å; I870-M892 HydrophobicContact CD1-SD 3.48Å; I870-M892 WeakPolarHBondContact CD1-SD 3.29Å; A888-M892 WeakPolarHBondContact O-CB 3.46Å; A888-M892 VanDerWaalsContact O-CG 3.26Å; A888-M892 WeakPolarHBondContact O-CG 3.41Å; A888-M892 PolarHBondContact O-N 3.17Å; G890-M892 PolarHBondContact O-N 3.05Å; M892-V894 PolarHBondContact O-N 3.3Å; M892-G895 PolarHBondContact O-N 3.05Å; M892-S896 PolarHBondContact O-N 3.45Å; M892-S896 PolarHBondContact O-OG 3.03Å; M892-F900 HydrophobicContact CE-CE1 3.96Å; M892-F900 HydrophobicContact CE-CZ 3.78Å |
| 893 | A | 78.8 | Confident | 80 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -27.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L889 G890 G891 S896 L897 F900 M904 V925 | L889-A893 WeakPolarHBondContact O-CB 3.43Å; L889-A893 PolarHBondContact O-N 3.23Å; G890-A893 PolarHBondContact O-N 2.94Å; G891-A893 VanDerWaalsContact C-N 3.33Å; G891-A893 PolarHBondContact O-N 3.16Å; A893-S896 CarbonylContact O-C 3.31Å; A893-L897 VanDerWaalsContact O-CA 3.22Å; A893-L897 WeakPolarHBondContact O-CA 3.31Å; A893-L897 PolarHBondContact O-N 2.66Å; A893-L897 VanDerWaalsContact O-N 3.17Å; A893-F900 HydrophobicContact CB-CB 3.77Å; A893-M904 HydrophobicContact CB-CE 3.79Å; A893-M904 HydrophobicContact CB-SD 4.2Å; A893-V925 HydrophobicContact CB-CG2 3.52Å |
| 894 | V | 79.5 | Confident | 79.9 | Confident | 33 Ų | 33 | 24.1 Ų | 24.1 | 20% | 0.2 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 173 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | R856 G890 G891 M892 V925 A928 | R856-V894 HydrophobicContact CG-CB 4.46Å; R856-V894 HydrophobicContact CG-CG1 4.28Å; G890-V894 WeakPolarHBondContact O-CG2 3.4Å; G890-V894 PolarHBondContact O-N 2.99Å; G891-V894 WeakPolarHBondContact O-CB 3.36Å; G891-V894 PolarHBondContact O-N 3.44Å; M892-V894 PolarHBondContact O-N 3.3Å; V894-V925 HydrophobicContact CG2-CG2 4.43Å; V894-A928 HydrophobicContact CG2-CB 3.96Å |
| 895 | G | 75.3 | Confident | 79.8 | Confident | 32 Ų | 32 | 25.1 Ų | 25.1 | 33% | 0.33 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -75.2 | -22.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G855 M892 | G855-G895 WeakPolarHBondContact O-CA 3.46Å; M892-G895 PolarHBondContact O-N 3.05Å |
| 896 | S | 75.9 | Confident | 79.6 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.4 | 63.9 | -178.7 | 41.8 | 0 | 0 | 0 | 0 | 112.2 | M892 A893 N898 E899 F900 | M892-S896 PolarHBondContact O-N 3.45Å; M892-S896 PolarHBondContact O-OG 3.03Å; A893-S896 CarbonylContact O-C 3.31Å; S896-N898 VanDerWaalsContact C-N 3.3Å; S896-N898 PolarHBondContact O-N 3.27Å; S896-E899 PolarHBondContact O-N 2.92Å; S896-F900 PolarHBondContact O-N 3.22Å; S896-F900 WeakPolarHBondContact OG-CD2 3.4Å; S896-F900 WeakPolarHBondContact OG-CE2 3.37Å |
| 897 | L | 75.1 | Confident | 79.3 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.5 | -40.5 | -172.1 | -161.5 | 75.2 | 0 | 0 | 0 | 113.7 | A893 E899 L901 V925 S933 | A893-L897 VanDerWaalsContact O-CA 3.22Å; A893-L897 WeakPolarHBondContact O-CA 3.31Å; A893-L897 PolarHBondContact O-N 2.66Å; A893-L897 VanDerWaalsContact O-N 3.17Å; L897-E899 VanDerWaalsContact C-N 3.3Å; L897-E899 PolarHBondContact O-N 3.36Å; L897-L901 HydrophobicContact CD1-CB 4.32Å; L897-L901 HydrophobicContact CD1-CD2 4.27Å; L897-L901 HydrophobicContact CG-CB 4.34Å; L897-L901 HydrophobicContact CG-CD2 4.19Å; L897-L901 WeakPolarHBondContact O-CB 3.44Å; L897-L901 PolarHBondContact O-N 2.9Å; L897-L901 VanDerWaalsContact O-N 3.1Å; L897-V925 HydrophobicContact CD1-CG1 3.61Å; L897-S933 WeakPolarHBondContact CD2-O 3.43Å |
| 898 | N | 74.9 | Confident | 79.2 | Confident | 127 Ų | 127 | 31.1 Ų | 31.1 | 68% | 0.679 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -65.2 | -28 | -174.1 | -66 | -17.8 | 0 | 0 | 0 | 114.1 | S896 P902 | S896-N898 VanDerWaalsContact C-N 3.3Å; S896-N898 PolarHBondContact O-N 3.27Å; N898-P902 WeakPolarHBondContact O-CD 3.47Å; N898-P902 WeakPolarHBondContact O-CG 3.26Å |
| 899 | E | 73.5 | Confident | 78.8 | Confident | 110 Ų | 110 | 34.9 Ų | 34.9 | 51% | 0.514 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -97 | -44.3 | -178.2 | -67.3 | -172.5 | 171.1 | 0 | 0 | 112.1 | S896 L897 | S896-E899 PolarHBondContact O-N 2.92Å; L897-E899 VanDerWaalsContact C-N 3.3Å; L897-E899 PolarHBondContact O-N 3.36Å |
| 900 | F | 73.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -83.5 | -30.9 | -172.6 | -74.9 | -89 | 0 | 0 | 0 | 113.3 | Q867 L889 M892 A893 S896 F903 M904 | Q867-F900 HydrophobicContact CG-CD1 4.36Å; Q867-F900 HydrophobicContact CG-CE1 3.63Å; Q867-F900 HydrophobicContact CG-CZ 4.4Å; Q867-F900 VanDerWaalsContact NE2-CE1 3.29Å; L889-F900 HydrophobicContact CD1-CD1 4.45Å; M892-F900 HydrophobicContact CE-CE1 3.96Å; M892-F900 HydrophobicContact CE-CZ 3.78Å; A893-F900 HydrophobicContact CB-CB 3.77Å; S896-F900 PolarHBondContact O-N 3.22Å; S896-F900 WeakPolarHBondContact OG-CD2 3.4Å; S896-F900 WeakPolarHBondContact OG-CE2 3.37Å; F900-F903 WeakPolarHBondContact O-CB 3.38Å; F900-F903 PolarHBondContact O-N 3.13Å; F900-M904 WeakPolarHBondContact O-CG 3.12Å; F900-M904 PolarHBondContact O-N 3.2Å |
| 901 | L | 77.6 | Confident | 78 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -48.6 | -179.3 | -172.9 | 73.8 | 0 | 0 | 0 | 112.3 | L897 F903 M904 L905 L922 V925 H937 I941 | L897-L901 HydrophobicContact CD1-CB 4.32Å; L897-L901 HydrophobicContact CD1-CD2 4.27Å; L897-L901 HydrophobicContact CG-CB 4.34Å; L897-L901 HydrophobicContact CG-CD2 4.19Å; L897-L901 WeakPolarHBondContact O-CB 3.44Å; L897-L901 PolarHBondContact O-N 2.9Å; L897-L901 VanDerWaalsContact O-N 3.1Å; L901-F903 PolarHBondContact O-N 3.44Å; L901-M904 HydrophobicContact CD1-CE 3.74Å; L901-M904 PolarHBondContact O-N 3.48Å; L901-L905 HydrophobicContact CG-CD1 4.35Å; L901-L905 VanDerWaalsContact O-CG 3.32Å; L901-L905 WeakPolarHBondContact O-CG 3.16Å; L901-L905 PolarHBondContact O-N 3.42Å; L901-L922 HydrophobicContact CD1-CD1 3.84Å; L901-V925 HydrophobicContact CD1-CG1 4.35Å; L901-H937 HydrophobicContact CD2-CB 3.4Å; L901-H937 VanDerWaalsContact CD2-CG 3.42Å; L901-I941 HydrophobicContact CD1-CD1 4.31Å; L901-I941 HydrophobicContact CD2-CD1 4.14Å |
| 902 | P | 79.9 | Confident | 77.4 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 42% | 0.416 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -34.6 | 175.8 | -22.7 | 35 | 0 | 0 | 0 | 112.8 | N898 K906 | N898-P902 WeakPolarHBondContact O-CD 3.47Å; N898-P902 WeakPolarHBondContact O-CG 3.26Å; P902-K906 WeakPolarHBondContact O-CB 3.22Å; P902-K906 PolarHBondContact O-N 3.1Å |
| 903 | F | 80.9 | Confident | 76.9 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 174.1 | 167.7 | -106.1 | 0 | 0 | 0 | 111.7 | Q867 L871 L889 F900 L901 L905 K906 E907 | Q867-F903 HydrophobicContact CB-CZ 4.35Å; Q867-F903 HydrophobicContact CG-CE1 4.4Å; L871-F903 HydrophobicContact CD1-CZ 3.88Å; L871-F903 HydrophobicContact CG-CZ 4.4Å; L889-F903 HydrophobicContact CD1-CE1 4.5Å; F900-F903 WeakPolarHBondContact O-CB 3.38Å; F900-F903 PolarHBondContact O-N 3.13Å; L901-F903 PolarHBondContact O-N 3.44Å; F903-L905 PolarHBondContact O-N 3.49Å; F903-K906 PolarHBondContact O-N 3.37Å; F903-E907 HydrophobicContact CD2-CG 4.18Å; F903-E907 HydrophobicContact CE2-CG 3.77Å; F903-E907 HydrophobicContact CZ-CG 3.97Å; F903-E907 WeakPolarHBondContact O-CG 3.44Å; F903-E907 PolarHBondContact O-N 2.99Å |
| 904 | M | 80.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.6 | -71.4 | -167.7 | -52.6 | 0 | 0 | 112 | L889 A893 F900 L901 K906 E907 I908 L922 V925 | L889-M904 HydrophobicContact CD2-CG 4.16Å; L889-M904 HydrophobicContact CD2-SD 4.19Å; L889-M904 HydrophobicContact CG-CG 4.29Å; L889-M904 HydrophobicContact CG-SD 3.99Å; A893-M904 HydrophobicContact CB-CE 3.79Å; A893-M904 HydrophobicContact CB-SD 4.2Å; F900-M904 WeakPolarHBondContact O-CG 3.12Å; F900-M904 PolarHBondContact O-N 3.2Å; L901-M904 HydrophobicContact CD1-CE 3.74Å; L901-M904 PolarHBondContact O-N 3.48Å; M904-K906 VanDerWaalsContact C-N 3.28Å; M904-K906 PolarHBondContact O-N 3.49Å; M904-E907 PolarHBondContact O-N 2.98Å; M904-I908 WeakPolarHBondContact O-CD1 3.45Å; M904-I908 WeakPolarHBondContact O-CG1 3.29Å; M904-I908 PolarHBondContact O-N 3.48Å; M904-L922 HydrophobicContact CE-CD1 4.45Å; M904-V925 HydrophobicContact CE-CG2 3.83Å |
| 905 | L | 79.9 | Confident | 76.7 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 179.1 | -63.6 | 174.5 | 0 | 0 | 0 | 111.5 | L901 F903 S909 I941 L944 | L901-L905 HydrophobicContact CG-CD1 4.35Å; L901-L905 VanDerWaalsContact O-CG 3.32Å; L901-L905 WeakPolarHBondContact O-CG 3.16Å; L901-L905 PolarHBondContact O-N 3.42Å; F903-L905 PolarHBondContact O-N 3.49Å; L905-S909 PolarHBondContact O-N 3.32Å; L905-I941 HydrophobicContact CD2-CG1 4.31Å; L905-L944 HydrophobicContact CB-CD2 4.23Å; L905-L944 HydrophobicContact CD2-CD2 3.35Å; L905-L944 HydrophobicContact CG-CD2 4.37Å |
| 906 | K | 81.8 | Confident | 77 | Confident | 146 Ų | 146 | 63.5 Ų | 63.5 | 64% | 0.635 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | 175.5 | -171.8 | 179.4 | 178.7 | -177 | 0 | 111.8 | P902 F903 M904 I908 S909 A910 | P902-K906 WeakPolarHBondContact O-CB 3.22Å; P902-K906 PolarHBondContact O-N 3.1Å; F903-K906 PolarHBondContact O-N 3.37Å; M904-K906 VanDerWaalsContact C-N 3.28Å; M904-K906 PolarHBondContact O-N 3.49Å; K906-I908 VanDerWaalsContact C-N 3.34Å; K906-I908 PolarHBondContact O-N 2.97Å; K906-S909 PolarHBondContact O-N 3.3Å; K906-S909 PolarHBondContact O-OG 3.18Å; K906-A910 WeakPolarHBondContact O-CB 2.96Å; K906-A910 PolarHBondContact O-N 2.97Å; K906-A910 VanDerWaalsContact O-N 3.11Å |
| 907 | E | 78.6 | Confident | 77.3 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -33.2 | -179.4 | -69.9 | -60.2 | 133.4 | 0 | 0 | 112.9 | F903 M904 S909 A910 Q911 L918 | F903-E907 HydrophobicContact CD2-CG 4.18Å; F903-E907 HydrophobicContact CE2-CG 3.77Å; F903-E907 HydrophobicContact CZ-CG 3.97Å; F903-E907 WeakPolarHBondContact O-CG 3.44Å; F903-E907 PolarHBondContact O-N 2.99Å; M904-E907 PolarHBondContact O-N 2.98Å; E907-S909 VanDerWaalsContact C-N 3.29Å; E907-S909 PolarHBondContact O-N 3.26Å; E907-A910 PolarHBondContact O-N 2.96Å; E907-Q911 PolarHBondContact O-N 3.06Å; E907-Q911 VanDerWaalsContact O-N 3.14Å; E907-L918 HydrophobicContact CB-CD1 3.85Å |
| 908 | I | 80.3 | Confident | 77.7 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.8 | -70.3 | 163.9 | 0 | 0 | 0 | 110.7 | M904 K906 Q915 L918 L919 L922 L944 | M904-I908 WeakPolarHBondContact O-CD1 3.45Å; M904-I908 WeakPolarHBondContact O-CG1 3.29Å; M904-I908 PolarHBondContact O-N 3.48Å; K906-I908 VanDerWaalsContact C-N 3.34Å; K906-I908 PolarHBondContact O-N 2.97Å; I908-Q915 HydrophobicContact CG2-CG 4.48Å; I908-L918 HydrophobicContact CD1-CB 4.29Å; I908-L918 HydrophobicContact CG1-CB 3.56Å; I908-L918 HydrophobicContact CG1-CD1 4.07Å; I908-L918 HydrophobicContact CG1-CG 4.42Å; I908-L919 HydrophobicContact CD1-CD2 4.5Å; I908-L922 HydrophobicContact CD1-CD2 4.22Å; I908-L944 HydrophobicContact CB-CD2 4.1Å; I908-L944 HydrophobicContact CD1-CD2 4.02Å; I908-L944 HydrophobicContact CG2-CD1 4.49Å; I908-L944 HydrophobicContact CG2-CD2 3.88Å; I908-L944 HydrophobicContact CG2-CG 4.41Å |
| 909 | S | 76.1 | Confident | 78.1 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -75 | -25.4 | 178 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | L905 K906 E907 | L905-S909 PolarHBondContact O-N 3.32Å; K906-S909 PolarHBondContact O-N 3.3Å; K906-S909 PolarHBondContact O-OG 3.18Å; E907-S909 VanDerWaalsContact C-N 3.29Å; E907-S909 PolarHBondContact O-N 3.26Å |
| 910 | A | 77.8 | Confident | 78.5 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -88.1 | -32.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K906 E907 | K906-A910 WeakPolarHBondContact O-CB 2.96Å; K906-A910 PolarHBondContact O-N 2.97Å; K906-A910 VanDerWaalsContact O-N 3.11Å; E907-A910 PolarHBondContact O-N 2.96Å |
| 911 | Q | 74.4 | Confident | 79 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | trans | -132.9 | 101.4 | -172.6 | -65.2 | -171.3 | 5.2 | 0 | 0 | 113.4 | E907 R913 R914 Q915 | E907-Q911 PolarHBondContact O-N 3.06Å; E907-Q911 VanDerWaalsContact O-N 3.14Å; Q911-R913 VanDerWaalsContact C-N 3.31Å; Q911-R913 PolarHBondContact O-N 3.49Å; Q911-R914 PolarHBondContact O-N 3.29Å; Q911-R914 VanDerWaalsContact OE1-CD 3.23Å; Q911-Q915 PolarHBondContact O-N 3.2Å | ||
| 912 | P | 70.2 | Confident | 79.4 | Confident | 98 Ų | 98 | 54.1 Ų | 54.1 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -66.5 | -29.5 | -177.6 | 25.3 | -33.3 | 0 | 0 | 0 | 113.2 | R914 Q915 | P912-R914 PolarHBondContact O-N 3.17Å; P912-Q915 WeakPolarHBondContact O-CB 3.47Å; P912-Q915 PolarHBondContact O-N 3.47Å |
| 913 | R | 70.9 | Confident | 79.6 | Confident | 248 Ų | 248 | 53.3 Ų | 53.3 | 94% | 0.936 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -65 | -24.2 | 179 | -73.3 | -173.4 | 178.3 | -176.8 | -0.3 | 114.2 | Q911 | Q911-R913 VanDerWaalsContact C-N 3.31Å; Q911-R913 PolarHBondContact O-N 3.49Å |
| 914 | R | 76.2 | Confident | 79.7 | Confident | 51 Ų | 51 | 54.1 Ų | 54.1 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -103.2 | -0.7 | 179.8 | -62.8 | -176.3 | -179.3 | 166.5 | -7.6 | 112.5 | L871 S875 Q911 P912 Y916 L917 L918 | L871-R914 PolarHBondContact O-NH2 3.17Å; S875-R914 PolarHBondContact OG-NH2 3.31Å; Q911-R914 PolarHBondContact O-N 3.29Å; Q911-R914 VanDerWaalsContact OE1-CD 3.23Å; P912-R914 PolarHBondContact O-N 3.17Å; R914-Y916 VanDerWaalsContact C-N 3.33Å; R914-Y916 PolarHBondContact O-N 2.93Å; R914-L917 PolarHBondContact O-N 2.58Å; R914-L918 HydrophobicContact CB-CD1 4.15Å; R914-L918 HydrophobicContact CB-CG 4.46Å; R914-L918 WeakPolarHBondContact O-CG 3.15Å; R914-L918 PolarHBondContact O-N 2.71Å |
| 915 | Q | 76.8 | Confident | 79.9 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -43.9 | -171.5 | -173.5 | 177.2 | 6.6 | 0 | 0 | 112.5 | I908 Q911 P912 L917 L918 L919 H948 | I908-Q915 HydrophobicContact CG2-CG 4.48Å; Q911-Q915 PolarHBondContact O-N 3.2Å; P912-Q915 WeakPolarHBondContact O-CB 3.47Å; P912-Q915 PolarHBondContact O-N 3.47Å; Q915-L917 PolarHBondContact O-N 3.48Å; Q915-L918 PolarHBondContact O-N 3.46Å; Q915-L919 HydrophobicContact CG-CD1 3.93Å; Q915-L919 HydrophobicContact CG-CG 4.41Å; Q915-L919 WeakPolarHBondContact O-CB 3.27Å; Q915-L919 VanDerWaalsContact O-CG 3.3Å; Q915-L919 WeakPolarHBondContact O-CG 3.33Å; Q915-L919 PolarHBondContact O-N 2.9Å; Q915-H948 PolarHBondContact NE2-CE1 3.4Å; Q915-H948 VanDerWaalsContact NE2-CE1 3.31Å; Q915-H948 VanDerWaalsContact NE2-CG 3.34Å; Q915-H948 PolarHBondContact NE2-ND1 2.91Å |
| 916 | Y | 80.9 | Confident | 80 | Confident | 113 Ų | 113 | 53.3 Ų | 53.3 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 178.5 | -179 | -103.1 | 0 | 0 | 0 | 112.6 | R914 H920 L959 | R914-Y916 VanDerWaalsContact C-N 3.33Å; R914-Y916 PolarHBondContact O-N 2.93Å; Y916-H920 AromaticContact CE1-CD2 3.64Å; Y916-H920 AromaticContact CE1-NE2 3.66Å; Y916-H920 AromaticContact CE2-NE2 3.74Å; Y916-H920 AromaticContact CZ-CD2 3.63Å; Y916-H920 AromaticContact CZ-NE2 3.22Å; Y916-H920 PolarHBondContact O-CD2 3.07Å; Y916-H920 PolarHBondContact O-N 3.23Å; Y916-H920 VanDerWaalsContact O-N 3.16Å; Y916-H920 PolarHBondContact OH-NE2 3.07Å; Y916-H920 VanDerWaalsContact OH-NE2 3.08Å; Y916-L959 HydrophobicContact CD2-CD2 4.16Å; Y916-L959 HydrophobicContact CE2-CD2 4.25Å; Y916-L959 WeakPolarHBondContact O-CD2 3.38Å |
| 917 | L | 83.3 | Confident | 80 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.5 | -37.3 | -179.4 | -64.5 | 172.5 | 0 | 0 | 0 | 112.3 | F874 K882 S886 R914 Q915 H920 S921 | F874-L917 HydrophobicContact CB-CD1 4.25Å; F874-L917 HydrophobicContact CD1-CB 4.23Å; F874-L917 HydrophobicContact CD1-CD1 3.69Å; F874-L917 HydrophobicContact CE1-CB 3.98Å; F874-L917 HydrophobicContact CE1-CD1 4.23Å; F874-L917 HydrophobicContact CG-CD1 4.11Å; F874-L917 HydrophobicContact CZ-CB 4.29Å; K882-L917 HydrophobicContact CB-CD1 3.95Å; K882-L917 HydrophobicContact CB-CD2 4.12Å; K882-L917 HydrophobicContact CD-CD1 4.24Å; K882-L917 HydrophobicContact CG-CD1 4.25Å; S886-L917 PolarHBondContact OG-O 2.91Å; R914-L917 PolarHBondContact O-N 2.58Å; Q915-L917 PolarHBondContact O-N 3.48Å; L917-H920 WeakPolarHBondContact O-CB 3.46Å; L917-H920 PolarHBondContact O-N 3.2Å; L917-S921 PolarHBondContact O-N 3.48Å; L917-S921 PolarHBondContact O-OG 2.81Å |
| 918 | L | 83.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 177.6 | -70.3 | 171.3 | 0 | 0 | 0 | 112.3 | F874 L889 E907 I908 R914 Q915 H920 S921 L922 | F874-L918 HydrophobicContact CE2-CD2 3.76Å; F874-L918 HydrophobicContact CE2-CG 4.36Å; F874-L918 HydrophobicContact CZ-CD2 4.38Å; L889-L918 HydrophobicContact CD2-CD2 3.71Å; E907-L918 HydrophobicContact CB-CD1 3.85Å; I908-L918 HydrophobicContact CD1-CB 4.29Å; I908-L918 HydrophobicContact CG1-CB 3.56Å; I908-L918 HydrophobicContact CG1-CD1 4.07Å; I908-L918 HydrophobicContact CG1-CG 4.42Å; R914-L918 HydrophobicContact CB-CD1 4.15Å; R914-L918 HydrophobicContact CB-CG 4.46Å; R914-L918 WeakPolarHBondContact O-CG 3.15Å; R914-L918 PolarHBondContact O-N 2.71Å; Q915-L918 PolarHBondContact O-N 3.46Å; L918-H920 VanDerWaalsContact C-N 3.29Å; L918-H920 PolarHBondContact O-N 2.91Å; L918-S921 WeakPolarHBondContact O-CB 3.48Å; L918-S921 PolarHBondContact O-N 2.96Å; L918-L922 PolarHBondContact O-N 3.25Å |
| 919 | L | 83.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -32.5 | 172.1 | -75.1 | 170.9 | 0 | 0 | 0 | 111.7 | I908 Q915 L922 K923 L945 T956 L959 V960 | I908-L919 HydrophobicContact CD1-CD2 4.5Å; Q915-L919 HydrophobicContact CG-CD1 3.93Å; Q915-L919 HydrophobicContact CG-CG 4.41Å; Q915-L919 WeakPolarHBondContact O-CB 3.27Å; Q915-L919 VanDerWaalsContact O-CG 3.3Å; Q915-L919 WeakPolarHBondContact O-CG 3.33Å; Q915-L919 PolarHBondContact O-N 2.9Å; L919-L922 HydrophobicContact CD2-CD2 4.25Å; L919-L922 PolarHBondContact O-N 3.26Å; L919-K923 WeakPolarHBondContact O-CB 3.38Å; L919-K923 PolarHBondContact O-N 3.42Å; L919-L945 HydrophobicContact CD2-CD2 4.03Å; L919-T956 HydrophobicContact CD1-CG2 3.68Å; L919-L959 HydrophobicContact CB-CD2 3.36Å; L919-L959 HydrophobicContact CB-CG 3.91Å; L919-V960 HydrophobicContact CD1-CG2 3.95Å; L919-V960 HydrophobicContact CD2-CG2 4.31Å |
| 920 | H | 83.2 | Confident | 79.4 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 27% | 0.269 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 171.2 | -93.5 | -73.3 | 0 | 0 | 0 | 111.4 | S886 Y916 L917 L918 L922 K923 E924 L959 | S886-H920 VanDerWaalsContact OG-CB 3.31Å; S886-H920 WeakPolarHBondContact OG-CB 3.28Å; Y916-H920 AromaticContact CE1-CD2 3.64Å; Y916-H920 AromaticContact CE1-NE2 3.66Å; Y916-H920 AromaticContact CE2-NE2 3.74Å; Y916-H920 AromaticContact CZ-CD2 3.63Å; Y916-H920 AromaticContact CZ-NE2 3.22Å; Y916-H920 PolarHBondContact O-CD2 3.07Å; Y916-H920 PolarHBondContact O-N 3.23Å; Y916-H920 VanDerWaalsContact O-N 3.16Å; Y916-H920 PolarHBondContact OH-NE2 3.07Å; Y916-H920 VanDerWaalsContact OH-NE2 3.08Å; L917-H920 WeakPolarHBondContact O-CB 3.46Å; L917-H920 PolarHBondContact O-N 3.2Å; L918-H920 VanDerWaalsContact C-N 3.29Å; L918-H920 PolarHBondContact O-N 2.91Å; H920-L922 VanDerWaalsContact C-N 3.34Å; H920-L922 PolarHBondContact O-N 2.95Å; H920-K923 WeakPolarHBondContact O-CB 3.39Å; H920-K923 PolarHBondContact O-N 3.33Å; H920-E924 PolarHBondContact O-N 3.34Å; H920-E924 VanDerWaalsContact O-N 3.1Å; H920-L959 HydrophobicContact CB-CD2 4.45Å; H920-L959 VanDerWaalsContact CD2-CD2 3.45Å; H920-L959 WeakPolarHBondContact CD2-CD2 3.4Å |
| 921 | S | 84.6 | Confident | 79 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 172.8 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | S886 L917 L918 E924 V925 | S886-S921 WeakPolarHBondContact CA-OG 3.37Å; S886-S921 WeakPolarHBondContact O-CB 3.47Å; S886-S921 PolarHBondContact O-OG 3.3Å; S886-S921 PolarHBondContact OG-N 2.7Å; S886-S921 PolarHBondContact OG-OG 3.47Å; S886-S921 VanDerWaalsContact OG-OG 3.07Å; L917-S921 PolarHBondContact O-N 3.48Å; L917-S921 PolarHBondContact O-OG 2.81Å; L918-S921 WeakPolarHBondContact O-CB 3.48Å; L918-S921 PolarHBondContact O-N 2.96Å; S921-E924 PolarHBondContact O-N 3.22Å; S921-V925 WeakPolarHBondContact O-CG2 3.45Å; S921-V925 PolarHBondContact O-N 3.32Å; S921-V925 VanDerWaalsContact O-N 3.15Å |
| 922 | L | 85.2 | Confident | 78.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 177 | -177.2 | 65.5 | 0 | 0 | 0 | 111.9 | L901 M904 I908 L918 L919 H920 E924 V925 I926 I941 L945 | L901-L922 HydrophobicContact CD1-CD1 3.84Å; M904-L922 HydrophobicContact CE-CD1 4.45Å; I908-L922 HydrophobicContact CD1-CD2 4.22Å; L918-L922 PolarHBondContact O-N 3.25Å; L919-L922 HydrophobicContact CD2-CD2 4.25Å; L919-L922 PolarHBondContact O-N 3.26Å; H920-L922 VanDerWaalsContact C-N 3.34Å; H920-L922 PolarHBondContact O-N 2.95Å; L922-E924 VanDerWaalsContact C-N 3.3Å; L922-E924 PolarHBondContact O-N 3.35Å; L922-V925 WeakPolarHBondContact O-CB 3.4Å; L922-V925 PolarHBondContact O-N 2.9Å; L922-I926 HydrophobicContact CD1-CD1 4.49Å; L922-I926 HydrophobicContact CG-CD1 4Å; L922-I926 VanDerWaalsContact O-CG1 3.32Å; L922-I926 WeakPolarHBondContact O-CG1 3.33Å; L922-I926 PolarHBondContact O-N 2.97Å; L922-I941 HydrophobicContact CD1-CG2 4.35Å; L922-I941 HydrophobicContact CD2-CG2 4.12Å; L922-L945 HydrophobicContact CD2-CD2 4.21Å |
| 923 | K | 84.6 | Confident | 78.6 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 173.5 | 171.5 | -170.8 | 160.6 | 169.9 | 0 | 111.5 | L919 H920 V925 I926 S927 L959 E962 | L919-K923 WeakPolarHBondContact O-CB 3.38Å; L919-K923 PolarHBondContact O-N 3.42Å; H920-K923 WeakPolarHBondContact O-CB 3.39Å; H920-K923 PolarHBondContact O-N 3.33Å; K923-V925 VanDerWaalsContact C-N 3.32Å; K923-V925 PolarHBondContact O-N 2.96Å; K923-I926 PolarHBondContact O-N 3.48Å; K923-S927 WeakPolarHBondContact O-CB 3.42Å; K923-S927 PolarHBondContact O-N 3.46Å; K923-S927 PolarHBondContact O-OG 2.96Å; K923-L959 HydrophobicContact CB-CD1 4.38Å; K923-L959 HydrophobicContact CD-CD1 3.82Å; K923-E962 HydrophobicContact CD-CG 4.49Å; K923-E962 WeakPolarHBondContact CD-OE2 3.26Å; K923-E962 VanDerWaalsContact CE-CD 3.4Å; K923-E962 WeakPolarHBondContact CE-OE1 3.47Å; K923-E962 WeakPolarHBondContact CE-OE2 3.36Å; K923-E962 IonicContact NZ-OE1 3.21Å; K923-E962 PolarHBondContact NZ-OE1 2.91Å; K923-E962 IonicContact NZ-OE2 2.89Å; K923-E962 PolarHBondContact NZ-OE2 2.96Å |
| 924 | E | 82.9 | Confident | 78.8 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.2 | -174 | 63.2 | -165.3 | 0 | 0 | 111.2 | R856 H920 S921 L922 S927 A928 | R856-E924 IonicContact CZ-OE1 3.44Å; R856-E924 IonicContact NH1-OE1 3.97Å; R856-E924 PolarHBondContact NH1-OE1 2.98Å; R856-E924 IonicContact NH2-OE1 2.97Å; R856-E924 PolarHBondContact NH2-OE1 2.67Å; H920-E924 PolarHBondContact O-N 3.34Å; H920-E924 VanDerWaalsContact O-N 3.1Å; S921-E924 PolarHBondContact O-N 3.22Å; L922-E924 VanDerWaalsContact C-N 3.3Å; L922-E924 PolarHBondContact O-N 3.35Å; E924-S927 PolarHBondContact O-N 3.15Å; E924-A928 VanDerWaalsContact O-CB 3.27Å; E924-A928 WeakPolarHBondContact O-CB 3.34Å; E924-A928 PolarHBondContact O-N 3.25Å |
| 925 | V | 83.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | G890 A893 V894 L897 L901 M904 S921 L922 K923 S927 A928 C929 | G890-V925 WeakPolarHBondContact O-CG2 3.23Å; A893-V925 HydrophobicContact CB-CG2 3.52Å; V894-V925 HydrophobicContact CG2-CG2 4.43Å; L897-V925 HydrophobicContact CD1-CG1 3.61Å; L901-V925 HydrophobicContact CD1-CG1 4.35Å; M904-V925 HydrophobicContact CE-CG2 3.83Å; S921-V925 WeakPolarHBondContact O-CG2 3.45Å; S921-V925 PolarHBondContact O-N 3.32Å; S921-V925 VanDerWaalsContact O-N 3.15Å; L922-V925 WeakPolarHBondContact O-CB 3.4Å; L922-V925 PolarHBondContact O-N 2.9Å; K923-V925 VanDerWaalsContact C-N 3.32Å; K923-V925 PolarHBondContact O-N 2.96Å; V925-S927 VanDerWaalsContact C-N 3.27Å; V925-S927 PolarHBondContact O-N 3.39Å; V925-A928 PolarHBondContact O-N 3.04Å; V925-C929 VanDerWaalsContact O-CB 3.24Å; V925-C929 WeakPolarHBondContact O-CB 3.37Å; V925-C929 PolarHBondContact O-N 3.03Å; V925-C929 PolarHBondContact O-SG 3.19Å; V925-C929 VanDerWaalsContact O-SG 3.35Å |
| 926 | I | 83.1 | Confident | 78.7 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 179.5 | -63.7 | 161.6 | 0 | 0 | 0 | 110.9 | L922 K923 L934 I941 C963 K966 L967 | L922-I926 HydrophobicContact CD1-CD1 4.49Å; L922-I926 HydrophobicContact CG-CD1 4Å; L922-I926 VanDerWaalsContact O-CG1 3.32Å; L922-I926 WeakPolarHBondContact O-CG1 3.33Å; L922-I926 PolarHBondContact O-N 2.97Å; K923-I926 PolarHBondContact O-N 3.48Å; I926-L934 HydrophobicContact CG2-CD2 4.43Å; I926-I941 HydrophobicContact CD1-CG2 4.34Å; I926-C963 HydrophobicContact CD1-CB 3.78Å; I926-K966 HydrophobicContact CG2-CB 3.64Å; I926-L967 HydrophobicContact CD1-CD1 4Å; I926-L967 HydrophobicContact CD1-CD2 4.23Å; I926-L967 HydrophobicContact CD1-CG 3.9Å; I926-L967 HydrophobicContact CG1-CD2 4Å; I926-L967 HydrophobicContact CG1-CG 4.18Å; I926-L967 HydrophobicContact CG2-CD2 3.85Å; I926-L967 HydrophobicContact CG2-CG 3.83Å |
| 927 | S | 81.5 | Confident | 78.6 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -76.2 | -32.1 | -176.1 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | K923 E924 V925 | K923-S927 WeakPolarHBondContact O-CB 3.42Å; K923-S927 PolarHBondContact O-N 3.46Å; K923-S927 PolarHBondContact O-OG 2.96Å; E924-S927 PolarHBondContact O-N 3.15Å; V925-S927 VanDerWaalsContact C-N 3.27Å; V925-S927 PolarHBondContact O-N 3.39Å |
| 928 | A | 76.4 | Confident | 78.4 | Confident | 39 Ų | 39 | 37.5 Ų | 37.5 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -100.4 | -19.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V894 E924 V925 | V894-A928 HydrophobicContact CG2-CB 3.96Å; E924-A928 VanDerWaalsContact O-CB 3.27Å; E924-A928 WeakPolarHBondContact O-CB 3.34Å; E924-A928 PolarHBondContact O-N 3.25Å; V925-A928 PolarHBondContact O-N 3.04Å |
| 929 | C | 75.4 | Confident | 78.4 | Confident | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -77.2 | 139.3 | 178.7 | -77.4 | 0 | 0 | 0 | 0 | 112.1 | V925 | V925-C929 VanDerWaalsContact O-CB 3.24Å; V925-C929 WeakPolarHBondContact O-CB 3.37Å; V925-C929 PolarHBondContact O-N 3.03Å; V925-C929 PolarHBondContact O-SG 3.19Å; V925-C929 VanDerWaalsContact O-SG 3.35Å |
| 930 | P | 71.1 | Confident | 78.3 | Confident | 75 Ų | 75 | 44.4 Ų | 44.4 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | trans | -66 | 146.8 | 169.3 | 28 | -32.8 | 0 | 0 | 0 | 110.9 | S932 S933 L934 | P930-S932 PolarHBondContact O-N 3.47Å; P930-S932 VanDerWaalsContact O-N 3.13Å; P930-S933 PolarHBondContact O-N 3.35Å; P930-L934 PolarHBondContact O-N 2.85Å | ||
| 931 | A | 67.8 | Low | 78.3 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -53.9 | -34.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S935 V970 | A931-S935 PolarHBondContact O-N 3.01Å; A931-V970 HydrophobicContact CB-CG1 3.77Å |
| 932 | S | 68.2 | Low | 78.3 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 62% | 0.622 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.6 | -46.4 | -179.7 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | P930 L934 S935 | P930-S932 PolarHBondContact O-N 3.47Å; P930-S932 VanDerWaalsContact O-N 3.13Å; S932-L934 VanDerWaalsContact C-N 3.33Å; S932-L934 PolarHBondContact O-N 3.14Å; S932-S935 PolarHBondContact O-OG 2.86Å |
| 933 | S | 69.8 | Low | 78.2 | Confident | 62 Ų | 62 | 45 Ų | 45 | 43% | 0.434 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.2 | -26 | -177.5 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | L897 P930 | L897-S933 WeakPolarHBondContact CD2-O 3.43Å; P930-S933 PolarHBondContact O-N 3.35Å |
| 934 | L | 74.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -84 | -25.7 | -177.1 | -163.8 | 66.1 | 0 | 0 | 0 | 113.1 | I926 P930 S932 P936 H937 V938 I941 L967 V970 | I926-L934 HydrophobicContact CG2-CD2 4.43Å; P930-L934 PolarHBondContact O-N 2.85Å; S932-L934 VanDerWaalsContact C-N 3.33Å; S932-L934 PolarHBondContact O-N 3.14Å; L934-P936 VanDerWaalsContact C-CD 3.4Å; L934-H937 PolarHBondContact O-N 3.05Å; L934-V938 HydrophobicContact CG-CG2 4.34Å; L934-V938 WeakPolarHBondContact O-CG2 3.35Å; L934-V938 PolarHBondContact O-N 3.27Å; L934-I941 HydrophobicContact CD1-CD1 3.96Å; L934-L967 HydrophobicContact CD2-CD2 3.69Å; L934-V970 HydrophobicContact CD2-CG2 4.21Å |
| 935 | S | 73.6 | Confident | 78.2 | Confident | 77 Ų | 77 | 41 Ų | 41 | 54% | 0.538 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -45.5 | -44.5 | -175.9 | 65.5 | 0 | 0 | 0 | 0 | 116.5 | A931 S932 H937 V938 | A931-S935 PolarHBondContact O-N 3.01Å; S932-S935 PolarHBondContact O-OG 2.86Å; S935-H937 VanDerWaalsContact C-N 3.26Å; S935-H937 PolarHBondContact O-N 3.32Å; S935-V938 PolarHBondContact O-N 3.08Å |
| 936 | P | 78.1 | Confident | 78.1 | Confident | 92 Ų | 92 | 43 Ų | 43 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -69.2 | -22 | -178.9 | 27.5 | -36.2 | 0 | 0 | 0 | 113.8 | L934 | L934-P936 VanDerWaalsContact C-CD 3.4Š|
| 937 | H | 77.2 | Confident | 77.9 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 17% | 0.167 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -102.4 | -7.2 | -176.1 | -63.6 | -68.4 | 0 | 0 | 0 | 113.7 | L901 L934 S935 E939 S940 I941 | L901-H937 HydrophobicContact CD2-CB 3.4Å; L901-H937 VanDerWaalsContact CD2-CG 3.42Å; L934-H937 PolarHBondContact O-N 3.05Å; S935-H937 VanDerWaalsContact C-N 3.26Å; S935-H937 PolarHBondContact O-N 3.32Å; H937-E939 VanDerWaalsContact C-N 3.33Å; H937-E939 PolarHBondContact O-N 3.34Å; H937-S940 PolarHBondContact O-N 3.02Å; H937-S940 VanDerWaalsContact O-N 3.11Å; H937-S940 PolarHBondContact O-OG 3.3Å; H937-I941 HydrophobicContact CB-CD1 4.31Å; H937-I941 WeakPolarHBondContact O-CG1 3.18Å; H937-I941 PolarHBondContact O-N 2.96Å |
| 938 | V | 80.1 | Confident | 77.9 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.2 | -47.7 | -177 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | L934 S935 S940 I941 W942 L975 | L934-V938 HydrophobicContact CG-CG2 4.34Å; L934-V938 WeakPolarHBondContact O-CG2 3.35Å; L934-V938 PolarHBondContact O-N 3.27Å; S935-V938 PolarHBondContact O-N 3.08Å; V938-S940 VanDerWaalsContact C-N 3.33Å; V938-S940 PolarHBondContact O-N 3.45Å; V938-I941 PolarHBondContact O-N 3.28Å; V938-W942 WeakPolarHBondContact O-CB 3.18Å; V938-W942 PolarHBondContact O-N 3.06Å; V938-L975 HydrophobicContact CG1-CD1 4.25Å |
| 939 | E | 83.3 | Confident | 77.7 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | -178.1 | -70.4 | -68.2 | 176.7 | 0 | 0 | 112.4 | H937 W942 A943 R978 | H937-E939 VanDerWaalsContact C-N 3.33Å; H937-E939 PolarHBondContact O-N 3.34Å; E939-W942 PolarHBondContact O-N 3.19Å; E939-A943 WeakPolarHBondContact O-CB 3.37Å; E939-A943 PolarHBondContact O-N 3.46Å; E939-R978 VanDerWaalsContact CD-NH1 3.31Å; E939-R978 IonicContact OE1-CZ 3.85Å; E939-R978 VanDerWaalsContact OE1-CZ 3.29Å; E939-R978 IonicContact OE1-NH1 2.76Å; E939-R978 PolarHBondContact OE1-NH1 3.06Å; E939-R978 IonicContact OE1-NH2 3.84Å; E939-R978 PolarHBondContact OE1-NH2 2.97Å; E939-R978 IonicContact OE2-NH1 2.74Å; E939-R978 PolarHBondContact OE2-NH1 2.98Å |
| 940 | S | 81.3 | Confident | 77.6 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 177.2 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | H937 V938 L944 | H937-S940 PolarHBondContact O-N 3.02Å; H937-S940 VanDerWaalsContact O-N 3.11Å; H937-S940 PolarHBondContact O-OG 3.3Å; V938-S940 VanDerWaalsContact C-N 3.33Å; V938-S940 PolarHBondContact O-N 3.45Å; S940-L944 PolarHBondContact O-N 3Å |
| 941 | I | 82.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 176.7 | -60.7 | 167 | 0 | 0 | 0 | 109.6 | L901 L905 L922 I926 L934 H937 V938 L944 L945 L967 | L901-I941 HydrophobicContact CD1-CD1 4.31Å; L901-I941 HydrophobicContact CD2-CD1 4.14Å; L905-I941 HydrophobicContact CD2-CG1 4.31Å; L922-I941 HydrophobicContact CD1-CG2 4.35Å; L922-I941 HydrophobicContact CD2-CG2 4.12Å; I926-I941 HydrophobicContact CD1-CG2 4.34Å; L934-I941 HydrophobicContact CD1-CD1 3.96Å; H937-I941 HydrophobicContact CB-CD1 4.31Å; H937-I941 WeakPolarHBondContact O-CG1 3.18Å; H937-I941 PolarHBondContact O-N 2.96Å; V938-I941 PolarHBondContact O-N 3.28Å; I941-L944 PolarHBondContact O-N 3.2Å; I941-L945 HydrophobicContact CG2-CD1 3.75Å; I941-L945 HydrophobicContact CG2-CG 4.14Å; I941-L945 VanDerWaalsContact O-CG 3.31Å; I941-L945 WeakPolarHBondContact O-CG 3.37Å; I941-L945 PolarHBondContact O-N 3.4Å; I941-L967 HydrophobicContact CB-CD1 4.38Å; I941-L967 HydrophobicContact CG2-CD1 3.64Å |
| 942 | W | 84.3 | Confident | 77.9 | Confident | 19 Ų | 19 | 55 Ų | 55 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -50.9 | 178.1 | -169.3 | -93.5 | 0 | 0 | 0 | 110.9 | V938 E939 L944 L945 F946 L964 L975 R978 L979 | V938-W942 WeakPolarHBondContact O-CB 3.18Å; V938-W942 PolarHBondContact O-N 3.06Å; E939-W942 PolarHBondContact O-N 3.19Å; W942-L944 VanDerWaalsContact C-N 3.31Å; W942-L944 PolarHBondContact O-N 2.78Å; W942-L945 PolarHBondContact O-N 2.95Å; W942-F946 AromaticContact CD1-CD2 3.62Å; W942-F946 AromaticContact CD1-CE2 3.78Å; W942-F946 HydrophobicContact CD2-CD2 4.12Å; W942-F946 AromaticContact CD2-CE2 3.68Å; W942-F946 HydrophobicContact CD2-CE2 3.68Å; W942-F946 AromaticContact CE2-CD2 3.8Å; W942-F946 AromaticContact CE2-CE2 3.1Å; W942-F946 AromaticContact CE2-CZ 3.95Å; W942-F946 HydrophobicContact CE3-CE2 4.34Å; W942-F946 HydrophobicContact CG-CD2 4.05Å; W942-F946 HydrophobicContact CG-CE2 4.1Å; W942-F946 HydrophobicContact CH2-CE2 4.05Å; W942-F946 HydrophobicContact CH2-CZ 4.44Å; W942-F946 HydrophobicContact CZ2-CD2 4.42Å; W942-F946 AromaticContact CZ2-CE2 3.32Å; W942-F946 HydrophobicContact CZ2-CE2 3.32Å; W942-F946 AromaticContact CZ2-CZ 3.74Å; W942-F946 HydrophobicContact CZ2-CZ 3.74Å; W942-F946 HydrophobicContact CZ3-CE2 4.5Å; W942-F946 AromaticContact NE1-CD2 3.43Å; W942-F946 AromaticContact NE1-CE2 3.14Å; W942-F946 VanDerWaalsContact O-CD2 3.31Å; W942-F946 WeakPolarHBondContact O-CD2 3.42Å; W942-F946 PolarHBondContact O-N 3.28Å; W942-L964 HydrophobicContact CD2-CD2 4.24Å; W942-L964 HydrophobicContact CE3-CD2 3.69Å; W942-L964 HydrophobicContact CH2-CD2 4.22Å; W942-L964 HydrophobicContact CZ3-CD2 3.68Å; W942-L975 HydrophobicContact CD2-CD2 4.08Å; W942-L975 HydrophobicContact CE3-CD1 4.43Å; W942-L975 HydrophobicContact CE3-CD2 3.91Å; W942-L975 HydrophobicContact CH2-CB 4.06Å; W942-L975 HydrophobicContact CH2-CD2 4.04Å; W942-L975 HydrophobicContact CZ2-CD2 4.2Å; W942-L975 HydrophobicContact CZ3-CB 4.2Å; W942-L975 HydrophobicContact CZ3-CD1 4.15Å; W942-L975 HydrophobicContact CZ3-CD2 3.89Å; W942-L975 HydrophobicContact CZ3-CG 4.3Å; W942-R978 HydrophobicContact CZ2-CB 4.11Å; W942-L979 HydrophobicContact CH2-CD2 3.77Å; W942-L979 HydrophobicContact CH2-CG 3.91Å; W942-L979 HydrophobicContact CZ2-CD2 4.15Å; W942-L979 HydrophobicContact CZ2-CG 4.42Å |
| 943 | A | 84.3 | Confident | 78.5 | Confident | 52 Ų | 52 | 57 Ų | 57 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.7 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E939 Q947 | E939-A943 WeakPolarHBondContact O-CB 3.37Å; E939-A943 PolarHBondContact O-N 3.46Å; A943-Q947 WeakPolarHBondContact O-CG 3.42Å; A943-Q947 PolarHBondContact O-N 3.45Å |
| 944 | L | 82.8 | Confident | 78.8 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.7 | -44.1 | 178.4 | -174.1 | 72.5 | 0 | 0 | 0 | 112.3 | L905 I908 S940 I941 W942 F946 Q947 H948 | L905-L944 HydrophobicContact CB-CD2 4.23Å; L905-L944 HydrophobicContact CD2-CD2 3.35Å; L905-L944 HydrophobicContact CG-CD2 4.37Å; I908-L944 HydrophobicContact CB-CD2 4.1Å; I908-L944 HydrophobicContact CD1-CD2 4.02Å; I908-L944 HydrophobicContact CG2-CD1 4.49Å; I908-L944 HydrophobicContact CG2-CD2 3.88Å; I908-L944 HydrophobicContact CG2-CG 4.41Å; S940-L944 PolarHBondContact O-N 3Å; I941-L944 PolarHBondContact O-N 3.2Å; W942-L944 VanDerWaalsContact C-N 3.31Å; W942-L944 PolarHBondContact O-N 2.78Å; L944-F946 VanDerWaalsContact C-N 3.29Å; L944-F946 PolarHBondContact O-N 3.43Å; L944-Q947 PolarHBondContact O-N 2.92Å; L944-H948 PolarHBondContact O-CD2 2.93Å; L944-H948 VanDerWaalsContact O-CD2 3.25Å; L944-H948 PolarHBondContact O-N 3.43Å |
| 945 | L | 83.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -37 | 179.2 | -71.1 | 174.6 | 0 | 0 | 0 | 111.6 | L919 L922 I941 W942 H948 C949 V960 C963 L964 L967 | L919-L945 HydrophobicContact CD2-CD2 4.03Å; L922-L945 HydrophobicContact CD2-CD2 4.21Å; I941-L945 HydrophobicContact CG2-CD1 3.75Å; I941-L945 HydrophobicContact CG2-CG 4.14Å; I941-L945 VanDerWaalsContact O-CG 3.31Å; I941-L945 WeakPolarHBondContact O-CG 3.37Å; I941-L945 PolarHBondContact O-N 3.4Å; W942-L945 PolarHBondContact O-N 2.95Å; L945-H948 PolarHBondContact O-N 2.94Å; L945-C949 PolarHBondContact O-N 3.13Å; L945-C949 PolarHBondContact O-SG 3.26Å; L945-V960 HydrophobicContact CB-CG1 4.13Å; L945-V960 HydrophobicContact CD2-CB 4.41Å; L945-V960 HydrophobicContact CD2-CG1 4.1Å; L945-V960 HydrophobicContact CD2-CG2 4.18Å; L945-V960 WeakPolarHBondContact O-CG1 3.5Å; L945-C963 HydrophobicContact CD1-CB 3.72Å; L945-C963 HydrophobicContact CD2-CB 3.93Å; L945-L964 HydrophobicContact CB-CD2 3.84Å; L945-L964 HydrophobicContact CB-CG 4.19Å; L945-L964 HydrophobicContact CD1-CD2 3.83Å; L945-L964 HydrophobicContact CD1-CG 4.11Å; L945-L967 HydrophobicContact CD1-CD1 3.5Å |
| 946 | F | 81.3 | Confident | 79.5 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 175.6 | -89.7 | -80.3 | 0 | 0 | 0 | 113.3 | W942 L944 H948 C949 L964 L979 Q982 | W942-F946 AromaticContact CD1-CD2 3.62Å; W942-F946 AromaticContact CD1-CE2 3.78Å; W942-F946 HydrophobicContact CD2-CD2 4.12Å; W942-F946 AromaticContact CD2-CE2 3.68Å; W942-F946 HydrophobicContact CD2-CE2 3.68Å; W942-F946 AromaticContact CE2-CD2 3.8Å; W942-F946 AromaticContact CE2-CE2 3.1Å; W942-F946 AromaticContact CE2-CZ 3.95Å; W942-F946 HydrophobicContact CE3-CE2 4.34Å; W942-F946 HydrophobicContact CG-CD2 4.05Å; W942-F946 HydrophobicContact CG-CE2 4.1Å; W942-F946 HydrophobicContact CH2-CE2 4.05Å; W942-F946 HydrophobicContact CH2-CZ 4.44Å; W942-F946 HydrophobicContact CZ2-CD2 4.42Å; W942-F946 AromaticContact CZ2-CE2 3.32Å; W942-F946 HydrophobicContact CZ2-CE2 3.32Å; W942-F946 AromaticContact CZ2-CZ 3.74Å; W942-F946 HydrophobicContact CZ2-CZ 3.74Å; W942-F946 HydrophobicContact CZ3-CE2 4.5Å; W942-F946 AromaticContact NE1-CD2 3.43Å; W942-F946 AromaticContact NE1-CE2 3.14Å; W942-F946 VanDerWaalsContact O-CD2 3.31Å; W942-F946 WeakPolarHBondContact O-CD2 3.42Å; W942-F946 PolarHBondContact O-N 3.28Å; L944-F946 VanDerWaalsContact C-N 3.29Å; L944-F946 PolarHBondContact O-N 3.43Å; F946-H948 PolarHBondContact O-N 2.94Å; F946-C949 WeakPolarHBondContact O-CB 3.49Å; F946-C949 PolarHBondContact O-N 3.31Å; F946-L964 HydrophobicContact CD2-CD2 4.29Å; F946-L964 HydrophobicContact CE2-CD1 4.39Å; F946-L964 HydrophobicContact CE2-CD2 3.76Å; F946-L964 HydrophobicContact CZ-CD1 4.45Å; F946-L964 HydrophobicContact CZ-CD2 4.5Å; F946-L979 HydrophobicContact CZ-CD2 4.12Å; F946-Q982 HydrophobicContact CE1-CB 4.43Å; F946-Q982 HydrophobicContact CE1-CG 3.84Å; F946-Q982 HydrophobicContact CZ-CG 4.32Å |
| 947 | Q | 80.6 | Confident | 79.8 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 66% | 0.664 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.7 | -25.9 | 173.9 | -71.3 | 175.9 | 0.1 | 0 | 0 | 112.6 | A943 L944 | A943-Q947 WeakPolarHBondContact O-CG 3.42Å; A943-Q947 PolarHBondContact O-N 3.45Å; L944-Q947 PolarHBondContact O-N 2.92Å |
| 948 | H | 79.6 | Confident | 80.2 | Confident | 34 Ų | 34 | 55 Ų | 55 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3.8 | -179.3 | -65.2 | -52.9 | 0 | 0 | 0 | 114.8 | Q915 L944 L945 F946 E950 S951 V960 | Q915-H948 PolarHBondContact NE2-CE1 3.4Å; Q915-H948 VanDerWaalsContact NE2-CE1 3.31Å; Q915-H948 VanDerWaalsContact NE2-CG 3.34Å; Q915-H948 PolarHBondContact NE2-ND1 2.91Å; L944-H948 PolarHBondContact O-CD2 2.93Å; L944-H948 VanDerWaalsContact O-CD2 3.25Å; L944-H948 PolarHBondContact O-N 3.43Å; L945-H948 PolarHBondContact O-N 2.94Å; F946-H948 PolarHBondContact O-N 2.94Å; H948-E950 PolarHBondContact O-N 3.38Å; H948-S951 PolarHBondContact O-N 3.5Å; H948-S951 PolarHBondContact O-OG 2.8Å; H948-V960 HydrophobicContact CB-CG2 4.15Å |
| 949 | C | 73 | Confident | 80.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.3 | 175.6 | -74.9 | 0 | 0 | 0 | 0 | 113.5 | L945 F946 T993 | L945-C949 PolarHBondContact O-N 3.13Å; L945-C949 PolarHBondContact O-SG 3.26Å; F946-C949 WeakPolarHBondContact O-CB 3.49Å; F946-C949 PolarHBondContact O-N 3.31Å; C949-T993 HydrophobicContact CB-CG2 4.39Å; C949-T993 PolarHBondContact O-OG1 3.23Å |
| 950 | E | 73.9 | Confident | 80.6 | Confident | 118 Ų | 118 | 49.9 Ų | 49.9 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 14.1 | -179.1 | -55.8 | -165 | 144.7 | 0 | 0 | 113.7 | H948 S987 | H948-E950 PolarHBondContact O-N 3.38Å; E950-S987 WeakPolarHBondContact OE1-CB 3.39Å; E950-S987 PolarHBondContact OE1-OG 2.82Å |
| 951 | S | 75.1 | Confident | 80.9 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | trans | -62.8 | 140.6 | 177.3 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | H948 E953 R957 | H948-S951 PolarHBondContact O-N 3.5Å; H948-S951 PolarHBondContact O-OG 2.8Å; S951-E953 VanDerWaalsContact C-N 3.31Å; S951-E953 PolarHBondContact O-N 3.36Å; S951-R957 WeakPolarHBondContact O-CD 3.45Å; S951-R957 WeakPolarHBondContact O-CG 3.49Å; S951-R957 PolarHBondContact O-NE 3.37Å; S951-R957 WeakPolarHBondContact OG-CG 3.48Å | ||
| 952 | Q | 70.3 | Confident | 81.1 | Confident | 187 Ų | 187 | 49.2 Ų | 49.2 | 87% | 0.874 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -65.9 | -34.9 | -179 | -68.7 | -111.3 | -19.8 | 0 | 0 | 111.8 | E954 | Q952-E954 PolarHBondContact O-N 3.11Š|
| 953 | E | 79.2 | Confident | 81.2 | Confident | 130 Ų | 130 | 48.3 Ų | 48.3 | 61% | 0.607 | 25% | 0.249 | S | C | * | . | trans | -72.4 | 121.4 | 179.4 | -66.5 | -174.3 | 170.1 | 0 | 0 | 112.3 | S951 G955 T956 R957 | S951-E953 VanDerWaalsContact C-N 3.31Å; S951-E953 PolarHBondContact O-N 3.36Å; E953-G955 VanDerWaalsContact C-N 3.34Å; E953-G955 PolarHBondContact O-N 3.32Å; E953-T956 PolarHBondContact O-N 3.47Å; E953-T956 PolarHBondContact OE2-OG1 3.36Å; E953-R957 PolarHBondContact O-N 2.95Å | ||
| 954 | E | 77.3 | Confident | 81.4 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 42% | 0.416 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.5 | -172.6 | 176.8 | 173.5 | 0 | 0 | 112.7 | Q952 T956 R957 N958 R1033 | Q952-E954 PolarHBondContact O-N 3.11Å; E954-T956 PolarHBondContact O-N 3.35Å; E954-R957 PolarHBondContact O-N 2.82Å; E954-N958 PolarHBondContact O-N 2.93Å; E954-N958 PolarHBondContact O-ND2 3.33Å; E954-R1033 IonicContact OE1-CZ 3.72Å; E954-R1033 IonicContact OE1-NH2 3.2Å; E954-R1033 PolarHBondContact OE1-NH2 2.86Å |
| 955 | G | 80.4 | Confident | 81.6 | Confident | 40 Ų | 40 | 45 Ų | 45 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E953 N958 L959 | E953-G955 VanDerWaalsContact C-N 3.34Å; E953-G955 PolarHBondContact O-N 3.32Å; G955-N958 PolarHBondContact O-N 2.96Å; G955-L959 PolarHBondContact O-N 3.47Å; G955-L959 VanDerWaalsContact O-N 3.16Å |
| 956 | T | 82.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -41.4 | 176.5 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | L919 E953 E954 N958 L959 V960 | L919-T956 HydrophobicContact CD1-CG2 3.68Å; E953-T956 PolarHBondContact O-N 3.47Å; E953-T956 PolarHBondContact OE2-OG1 3.36Å; E954-T956 PolarHBondContact O-N 3.35Å; T956-N958 PolarHBondContact O-N 2.77Å; T956-L959 PolarHBondContact O-N 2.93Å; T956-V960 WeakPolarHBondContact O-CG2 3.29Å; T956-V960 PolarHBondContact O-N 3.06Å |
| 957 | R | 84 | Confident | 81.8 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 174.6 | -73 | -174.9 | -78.1 | 143 | -3 | 113 | S951 E953 E954 L959 V960 A961 | S951-R957 WeakPolarHBondContact O-CD 3.45Å; S951-R957 WeakPolarHBondContact O-CG 3.49Å; S951-R957 PolarHBondContact O-NE 3.37Å; S951-R957 WeakPolarHBondContact OG-CG 3.48Å; E953-R957 PolarHBondContact O-N 2.95Å; E954-R957 PolarHBondContact O-N 2.82Å; R957-L959 VanDerWaalsContact C-N 3.33Å; R957-L959 PolarHBondContact O-N 3.4Å; R957-V960 PolarHBondContact O-N 3.32Å; R957-A961 WeakPolarHBondContact O-CB 3.37Å; R957-A961 PolarHBondContact O-N 3.1Å |
| 958 | N | 85.9 | Confident | 82 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 177.4 | -76.5 | -25.8 | 0 | 0 | 0 | 112.2 | E954 G955 T956 A961 E962 | E954-N958 PolarHBondContact O-N 2.93Å; E954-N958 PolarHBondContact O-ND2 3.33Å; G955-N958 PolarHBondContact O-N 2.96Å; T956-N958 PolarHBondContact O-N 2.77Å; N958-A961 WeakPolarHBondContact O-CB 3.44Å; N958-A961 PolarHBondContact O-N 3.17Å; N958-E962 PolarHBondContact O-N 3.17Å |
| 959 | L | 84.8 | Confident | 82.2 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.7 | -39.8 | 177.2 | -170.3 | 61.6 | 0 | 0 | 0 | 112.2 | Y916 L919 H920 K923 G955 T956 R957 E962 C963 | Y916-L959 HydrophobicContact CD2-CD2 4.16Å; Y916-L959 HydrophobicContact CE2-CD2 4.25Å; Y916-L959 WeakPolarHBondContact O-CD2 3.38Å; L919-L959 HydrophobicContact CB-CD2 3.36Å; L919-L959 HydrophobicContact CB-CG 3.91Å; H920-L959 HydrophobicContact CB-CD2 4.45Å; H920-L959 VanDerWaalsContact CD2-CD2 3.45Å; H920-L959 WeakPolarHBondContact CD2-CD2 3.4Å; K923-L959 HydrophobicContact CB-CD1 4.38Å; K923-L959 HydrophobicContact CD-CD1 3.82Å; G955-L959 PolarHBondContact O-N 3.47Å; G955-L959 VanDerWaalsContact O-N 3.16Å; T956-L959 PolarHBondContact O-N 2.93Å; R957-L959 VanDerWaalsContact C-N 3.33Å; R957-L959 PolarHBondContact O-N 3.4Å; L959-E962 PolarHBondContact O-N 2.99Å; L959-C963 PolarHBondContact O-N 3.46Å; L959-C963 PolarHBondContact O-SG 3.07Å |
| 960 | V | 86.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 171.2 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | L919 L945 H948 T956 R957 E962 C963 L964 T993 | L919-V960 HydrophobicContact CD1-CG2 3.95Å; L919-V960 HydrophobicContact CD2-CG2 4.31Å; L945-V960 HydrophobicContact CB-CG1 4.13Å; L945-V960 HydrophobicContact CD2-CB 4.41Å; L945-V960 HydrophobicContact CD2-CG1 4.1Å; L945-V960 HydrophobicContact CD2-CG2 4.18Å; L945-V960 WeakPolarHBondContact O-CG1 3.5Å; H948-V960 HydrophobicContact CB-CG2 4.15Å; T956-V960 WeakPolarHBondContact O-CG2 3.29Å; T956-V960 PolarHBondContact O-N 3.06Å; R957-V960 PolarHBondContact O-N 3.32Å; V960-E962 VanDerWaalsContact C-N 3.34Å; V960-E962 PolarHBondContact O-N 2.65Å; V960-C963 WeakPolarHBondContact O-CB 3.45Å; V960-C963 PolarHBondContact O-N 3.15Å; V960-L964 HydrophobicContact CG1-CD1 4.11Å; V960-L964 HydrophobicContact CG1-CG 4.45Å; V960-L964 WeakPolarHBondContact O-CG 3.39Å; V960-L964 PolarHBondContact O-N 3.27Å; V960-T993 HydrophobicContact CG1-CG2 4.17Å |
| 961 | A | 87.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R957 N958 L964 G965 T993 T996 A997 | R957-A961 WeakPolarHBondContact O-CB 3.37Å; R957-A961 PolarHBondContact O-N 3.1Å; N958-A961 WeakPolarHBondContact O-CB 3.44Å; N958-A961 PolarHBondContact O-N 3.17Å; A961-L964 PolarHBondContact O-N 3.44Å; A961-G965 PolarHBondContact O-N 3.41Å; A961-T993 HydrophobicContact CB-CG2 3.91Å; A961-T993 WeakPolarHBondContact CB-O 3.26Å; A961-T996 HydrophobicContact CB-CG2 3.57Å; A961-A997 HydrophobicContact CB-CB 4.33Å; A961-A997 VanDerWaalsContact O-CA 3.28Å; A961-A997 WeakPolarHBondContact O-CA 3.36Å; A961-A997 WeakPolarHBondContact O-CB 3.19Å |
| 962 | E | 87.7 | Confident | 83.1 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 175.5 | -168.6 | 177.3 | -177.8 | 0 | 0 | 111.6 | K923 N958 L959 V960 L964 G965 K966 F1000 | K923-E962 HydrophobicContact CD-CG 4.49Å; K923-E962 WeakPolarHBondContact CD-OE2 3.26Å; K923-E962 VanDerWaalsContact CE-CD 3.4Å; K923-E962 WeakPolarHBondContact CE-OE1 3.47Å; K923-E962 WeakPolarHBondContact CE-OE2 3.36Å; K923-E962 IonicContact NZ-OE1 3.21Å; K923-E962 PolarHBondContact NZ-OE1 2.91Å; K923-E962 IonicContact NZ-OE2 2.89Å; K923-E962 PolarHBondContact NZ-OE2 2.96Å; N958-E962 PolarHBondContact O-N 3.17Å; L959-E962 PolarHBondContact O-N 2.99Å; V960-E962 VanDerWaalsContact C-N 3.34Å; V960-E962 PolarHBondContact O-N 2.65Å; E962-L964 PolarHBondContact O-N 2.99Å; E962-G965 PolarHBondContact O-N 3.16Å; E962-K966 WeakPolarHBondContact O-CG 3.23Å; E962-K966 PolarHBondContact O-N 2.69Å; E962-F1000 VanDerWaalsContact CA-CD2 3.42Å; E962-F1000 HydrophobicContact CB-CD1 4.48Å; E962-F1000 HydrophobicContact CB-CD2 3.77Å; E962-F1000 HydrophobicContact CB-CE1 4.5Å; E962-F1000 HydrophobicContact CB-CE2 3.76Å; E962-F1000 HydrophobicContact CB-CG 4.14Å; E962-F1000 HydrophobicContact CB-CZ 4.14Å; E962-F1000 HydrophobicContact CG-CD1 4.01Å; E962-F1000 HydrophobicContact CG-CD2 4.16Å; E962-F1000 HydrophobicContact CG-CE1 4.17Å; E962-F1000 HydrophobicContact CG-CE2 4.29Å; E962-F1000 HydrophobicContact CG-CG 4Å; E962-F1000 HydrophobicContact CG-CZ 4.3Å |
| 963 | C | 87 | Confident | 83.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 174.9 | -66.5 | 0 | 0 | 0 | 0 | 112 | I926 L945 L959 V960 K966 L967 | I926-C963 HydrophobicContact CD1-CB 3.78Å; L945-C963 HydrophobicContact CD1-CB 3.72Å; L945-C963 HydrophobicContact CD2-CB 3.93Å; L959-C963 PolarHBondContact O-N 3.46Å; L959-C963 PolarHBondContact O-SG 3.07Å; V960-C963 WeakPolarHBondContact O-CB 3.45Å; V960-C963 PolarHBondContact O-N 3.15Å; C963-K966 PolarHBondContact O-N 2.68Å; C963-L967 WeakPolarHBondContact O-CB 3.33Å; C963-L967 VanDerWaalsContact O-CG 3.3Å; C963-L967 WeakPolarHBondContact O-CG 3.4Å; C963-L967 PolarHBondContact O-N 2.91Å |
| 964 | L | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 177 | -73.3 | 174 | 0 | 0 | 0 | 112 | W942 L945 F946 V960 A961 E962 L967 T968 T993 A997 | W942-L964 HydrophobicContact CD2-CD2 4.24Å; W942-L964 HydrophobicContact CE3-CD2 3.69Å; W942-L964 HydrophobicContact CH2-CD2 4.22Å; W942-L964 HydrophobicContact CZ3-CD2 3.68Å; L945-L964 HydrophobicContact CB-CD2 3.84Å; L945-L964 HydrophobicContact CB-CG 4.19Å; L945-L964 HydrophobicContact CD1-CD2 3.83Å; L945-L964 HydrophobicContact CD1-CG 4.11Å; F946-L964 HydrophobicContact CD2-CD2 4.29Å; F946-L964 HydrophobicContact CE2-CD1 4.39Å; F946-L964 HydrophobicContact CE2-CD2 3.76Å; F946-L964 HydrophobicContact CZ-CD1 4.45Å; F946-L964 HydrophobicContact CZ-CD2 4.5Å; V960-L964 HydrophobicContact CG1-CD1 4.11Å; V960-L964 HydrophobicContact CG1-CG 4.45Å; V960-L964 WeakPolarHBondContact O-CG 3.39Å; V960-L964 PolarHBondContact O-N 3.27Å; A961-L964 PolarHBondContact O-N 3.44Å; E962-L964 PolarHBondContact O-N 2.99Å; L964-L967 PolarHBondContact O-N 3.25Å; L964-T968 WeakPolarHBondContact O-CB 3.16Å; L964-T968 PolarHBondContact O-N 3.05Å; L964-T968 PolarHBondContact O-OG1 2.87Å; L964-T993 HydrophobicContact CD1-CG2 4.4Å; L964-A997 HydrophobicContact CB-CB 3.79Å |
| 965 | G | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A961 E962 L967 T968 L969 A997 T1001 | A961-G965 PolarHBondContact O-N 3.41Å; E962-G965 PolarHBondContact O-N 3.16Å; G965-L967 PolarHBondContact O-N 3.14Å; G965-T968 WeakPolarHBondContact O-CB 2.79Å; G965-T968 PolarHBondContact O-N 3.36Å; G965-T968 VanDerWaalsContact O-N 3.17Å; G965-L969 PolarHBondContact O-N 3.29Å; G965-A997 VanDerWaalsContact CA-O 3.3Å; G965-A997 WeakPolarHBondContact CA-O 3.37Å; G965-T1001 WeakPolarHBondContact O-CG2 3.48Å |
| 966 | K | 83.9 | Confident | 84.2 | Confident | 66 Ų | 66 | 27.6 Ų | 27.6 | 29% | 0.287 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.5 | -66.3 | -69.8 | -175 | 179.5 | 0 | 112.7 | I926 E962 C963 T968 L969 | I926-K966 HydrophobicContact CG2-CB 3.64Å; E962-K966 WeakPolarHBondContact O-CG 3.23Å; E962-K966 PolarHBondContact O-N 2.69Å; C963-K966 PolarHBondContact O-N 2.68Å; K966-T968 VanDerWaalsContact C-N 3.32Å; K966-T968 PolarHBondContact O-N 3.46Å; K966-L969 HydrophobicContact CD-CD1 4.17Å; K966-L969 WeakPolarHBondContact O-CB 3.32Å; K966-L969 PolarHBondContact O-N 2.79Å |
| 967 | L | 85.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 173.4 | -77.4 | 169.2 | 0 | 0 | 0 | 112.4 | I926 L934 I941 L945 C963 L964 G965 L969 V970 L975 | I926-L967 HydrophobicContact CD1-CD1 4Å; I926-L967 HydrophobicContact CD1-CD2 4.23Å; I926-L967 HydrophobicContact CD1-CG 3.9Å; I926-L967 HydrophobicContact CG1-CD2 4Å; I926-L967 HydrophobicContact CG1-CG 4.18Å; I926-L967 HydrophobicContact CG2-CD2 3.85Å; I926-L967 HydrophobicContact CG2-CG 3.83Å; L934-L967 HydrophobicContact CD2-CD2 3.69Å; I941-L967 HydrophobicContact CB-CD1 4.38Å; I941-L967 HydrophobicContact CG2-CD1 3.64Å; L945-L967 HydrophobicContact CD1-CD1 3.5Å; C963-L967 WeakPolarHBondContact O-CB 3.33Å; C963-L967 VanDerWaalsContact O-CG 3.3Å; C963-L967 WeakPolarHBondContact O-CG 3.4Å; C963-L967 PolarHBondContact O-N 2.91Å; L964-L967 PolarHBondContact O-N 3.25Å; G965-L967 PolarHBondContact O-N 3.14Å; L967-L969 PolarHBondContact O-N 3.29Å; L967-V970 VanDerWaalsContact O-CB 3.31Å; L967-V970 WeakPolarHBondContact O-CB 3.37Å; L967-V970 PolarHBondContact O-N 3.24Å; L967-L975 WeakPolarHBondContact O-CD1 3.42Å |
| 968 | T | 85.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.2 | -29.3 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | L964 G965 K966 V970 N971 P972 L975 L976 L979 T1001 I1009 | L964-T968 WeakPolarHBondContact O-CB 3.16Å; L964-T968 PolarHBondContact O-N 3.05Å; L964-T968 PolarHBondContact O-OG1 2.87Å; G965-T968 WeakPolarHBondContact O-CB 2.79Å; G965-T968 PolarHBondContact O-N 3.36Å; G965-T968 VanDerWaalsContact O-N 3.17Å; K966-T968 VanDerWaalsContact C-N 3.32Å; K966-T968 PolarHBondContact O-N 3.46Å; T968-V970 PolarHBondContact O-N 2.98Å; T968-N971 CarbonylContact O-C 3.39Å; T968-N971 PolarHBondContact O-N 3.32Å; T968-P972 VanDerWaalsContact O-CA 3.23Å; T968-P972 WeakPolarHBondContact O-CA 3.35Å; T968-P972 VanDerWaalsContact O-N 3.14Å; T968-L975 HydrophobicContact CG2-CB 4.19Å; T968-L976 HydrophobicContact CG2-CB 4.33Å; T968-L976 HydrophobicContact CG2-CD1 4.31Å; T968-L979 HydrophobicContact CG2-CD1 4.28Å; T968-T1001 HydrophobicContact CG2-CG2 4.17Å; T968-I1009 HydrophobicContact CG2-CD1 4.18Å |
| 969 | L | 82.4 | Confident | 84.3 | Confident | 57 Ų | 57 | 30.5 Ų | 30.5 | 30% | 0.298 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.4 | -24.4 | 173.6 | -62.1 | 173.3 | 0 | 0 | 0 | 113.3 | G965 K966 L967 V1003 I1009 | G965-L969 PolarHBondContact O-N 3.29Å; K966-L969 HydrophobicContact CD-CD1 4.17Å; K966-L969 WeakPolarHBondContact O-CB 3.32Å; K966-L969 PolarHBondContact O-N 2.79Å; L967-L969 PolarHBondContact O-N 3.29Å; L969-V1003 HydrophobicContact CD1-CG2 3.96Å; L969-V1003 HydrophobicContact CD2-CG2 4.37Å; L969-I1009 HydrophobicContact CD2-CD1 4.03Å; L969-I1009 HydrophobicContact CD2-CG2 4.16Å |
| 970 | V | 80.8 | Confident | 84.3 | Confident | 42 Ų | 42 | 33.5 Ų | 33.5 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74.6 | -40.1 | -179.3 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | A931 L934 L967 T968 | A931-V970 HydrophobicContact CB-CG1 3.77Å; L934-V970 HydrophobicContact CD2-CG2 4.21Å; L967-V970 VanDerWaalsContact O-CB 3.31Å; L967-V970 WeakPolarHBondContact O-CB 3.37Å; L967-V970 PolarHBondContact O-N 3.24Å; T968-V970 PolarHBondContact O-N 2.98Å |
| 971 | N | 80.3 | Confident | 84.2 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 31% | 0.305 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -143.2 | 78.7 | 177.1 | -171 | -5.9 | 0 | 0 | 0 | 111.2 | T968 A973 Q974 L975 | T968-N971 CarbonylContact O-C 3.39Å; T968-N971 PolarHBondContact O-N 3.32Å; N971-A973 VanDerWaalsContact C-N 3.34Å; N971-A973 PolarHBondContact O-N 3.32Å; N971-Q974 PolarHBondContact ND2-OE1 2.9Å; N971-L975 HydrophobicContact CB-CD1 4.37Å; N971-L975 WeakPolarHBondContact O-CB 3.2Å; N971-L975 WeakPolarHBondContact O-CG 3.46Å; N971-L975 PolarHBondContact O-N 3.2Å |
| 972 | P | 80.8 | Confident | 83.8 | Confident | 30 Ų | 30 | 43 Ų | 43 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -34.5 | -172.5 | 24.2 | -33.1 | 0 | 0 | 0 | 112.8 | T968 Q974 L976 I1009 L1012 | T968-P972 VanDerWaalsContact O-CA 3.23Å; T968-P972 WeakPolarHBondContact O-CA 3.35Å; T968-P972 VanDerWaalsContact O-N 3.14Å; P972-Q974 VanDerWaalsContact C-N 3.32Å; P972-Q974 PolarHBondContact O-N 3.03Å; P972-L976 WeakPolarHBondContact O-CB 3.34Å; P972-L976 PolarHBondContact O-N 3.12Å; P972-L976 VanDerWaalsContact O-N 3.1Å; P972-I1009 HydrophobicContact CB-CB 4.28Å; P972-I1009 HydrophobicContact CB-CD1 3.91Å; P972-I1009 HydrophobicContact CB-CG1 3.81Å; P972-L1012 HydrophobicContact CB-CD2 4.31Å; P972-L1012 WeakPolarHBondContact O-CD2 3.41Å |
| 973 | A | 80.5 | Confident | 83.4 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 55% | 0.545 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -35.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N971 P977 | N971-A973 VanDerWaalsContact C-N 3.34Å; N971-A973 PolarHBondContact O-N 3.32Å; A973-P977 WeakPolarHBondContact O-CD 3.32Å; A973-P977 WeakPolarHBondContact O-CG 3.49Å |
| 974 | Q | 82.4 | Confident | 82.9 | Confident | 115 Ų | 115 | 51.1 Ų | 51.1 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -96 | -34.6 | -179.1 | -67.1 | -178.1 | -9.8 | 0 | 0 | 113.1 | N971 P972 R978 | N971-Q974 PolarHBondContact ND2-OE1 2.9Å; P972-Q974 VanDerWaalsContact C-N 3.32Å; P972-Q974 PolarHBondContact O-N 3.03Å; Q974-R978 WeakPolarHBondContact O-CG 3.46Å |
| 975 | L | 83 | Confident | 81.9 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -86.1 | -33.9 | -172.4 | -63.3 | 176.9 | 0 | 0 | 0 | 113.2 | V938 W942 L967 T968 N971 R978 L979 | V938-L975 HydrophobicContact CG1-CD1 4.25Å; W942-L975 HydrophobicContact CD2-CD2 4.08Å; W942-L975 HydrophobicContact CE3-CD1 4.43Å; W942-L975 HydrophobicContact CE3-CD2 3.91Å; W942-L975 HydrophobicContact CH2-CB 4.06Å; W942-L975 HydrophobicContact CH2-CD2 4.04Å; W942-L975 HydrophobicContact CZ2-CD2 4.2Å; W942-L975 HydrophobicContact CZ3-CB 4.2Å; W942-L975 HydrophobicContact CZ3-CD1 4.15Å; W942-L975 HydrophobicContact CZ3-CD2 3.89Å; W942-L975 HydrophobicContact CZ3-CG 4.3Å; L967-L975 WeakPolarHBondContact O-CD1 3.42Å; T968-L975 HydrophobicContact CG2-CB 4.19Å; N971-L975 HydrophobicContact CB-CD1 4.37Å; N971-L975 WeakPolarHBondContact O-CB 3.2Å; N971-L975 WeakPolarHBondContact O-CG 3.46Å; N971-L975 PolarHBondContact O-N 3.2Å; L975-R978 WeakPolarHBondContact O-CB 3.24Å; L975-R978 PolarHBondContact O-N 3.19Å; L975-L979 PolarHBondContact O-N 3.27Å; L975-L979 VanDerWaalsContact O-N 3.1Å |
| 976 | L | 84.2 | Confident | 81.1 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 179.2 | -167.7 | 72.1 | 0 | 0 | 0 | 112.8 | T968 P972 R978 L979 K980 L1012 F1020 | T968-L976 HydrophobicContact CG2-CB 4.33Å; T968-L976 HydrophobicContact CG2-CD1 4.31Å; P972-L976 WeakPolarHBondContact O-CB 3.34Å; P972-L976 PolarHBondContact O-N 3.12Å; P972-L976 VanDerWaalsContact O-N 3.1Å; L976-R978 VanDerWaalsContact C-N 3.3Å; L976-R978 PolarHBondContact O-N 3.41Å; L976-L979 PolarHBondContact O-N 3.47Å; L976-K980 PolarHBondContact O-N 3.46Å; L976-K980 VanDerWaalsContact O-N 3.08Å; L976-L1012 HydrophobicContact CB-CD2 4.07Å; L976-L1012 HydrophobicContact CD2-CB 4.38Å; L976-L1012 HydrophobicContact CD2-CD2 3.61Å; L976-L1012 HydrophobicContact CD2-CG 3.89Å; L976-L1012 HydrophobicContact CG-CD2 4.48Å; L976-F1020 HydrophobicContact CD1-CE2 4.4Å |
| 977 | P | 85.4 | Confident | 81 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 173.5 | -24.2 | 35.4 | 0 | 0 | 0 | 113.4 | A973 K980 Q981 | A973-P977 WeakPolarHBondContact O-CD 3.32Å; A973-P977 WeakPolarHBondContact O-CG 3.49Å; P977-K980 WeakPolarHBondContact O-CB 3.42Å; P977-K980 PolarHBondContact O-N 3.08Å; P977-Q981 PolarHBondContact O-N 3.36Å |
| 978 | R | 84.4 | Confident | 80.9 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 176.4 | -69.5 | -177.6 | -176.4 | -175.1 | 6.5 | 111.3 | E939 W942 Q974 L975 L976 K980 Q981 Q982 | E939-R978 VanDerWaalsContact CD-NH1 3.31Å; E939-R978 IonicContact OE1-CZ 3.85Å; E939-R978 VanDerWaalsContact OE1-CZ 3.29Å; E939-R978 IonicContact OE1-NH1 2.76Å; E939-R978 PolarHBondContact OE1-NH1 3.06Å; E939-R978 IonicContact OE1-NH2 3.84Å; E939-R978 PolarHBondContact OE1-NH2 2.97Å; E939-R978 IonicContact OE2-NH1 2.74Å; E939-R978 PolarHBondContact OE2-NH1 2.98Å; W942-R978 HydrophobicContact CZ2-CB 4.11Å; Q974-R978 WeakPolarHBondContact O-CG 3.46Å; L975-R978 WeakPolarHBondContact O-CB 3.24Å; L975-R978 PolarHBondContact O-N 3.19Å; L976-R978 VanDerWaalsContact C-N 3.3Å; L976-R978 PolarHBondContact O-N 3.41Å; R978-K980 VanDerWaalsContact C-N 3.33Å; R978-K980 PolarHBondContact O-N 3.5Å; R978-Q981 PolarHBondContact O-N 2.84Å; R978-Q982 WeakPolarHBondContact O-CG 3.5Å; R978-Q982 PolarHBondContact O-N 3.27Å |
| 979 | L | 84.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 172.8 | -69.2 | 176.9 | 0 | 0 | 0 | 111.6 | W942 F946 T968 L975 L976 Q981 Q982 L983 V994 V998 F1020 | W942-L979 HydrophobicContact CH2-CD2 3.77Å; W942-L979 HydrophobicContact CH2-CG 3.91Å; W942-L979 HydrophobicContact CZ2-CD2 4.15Å; W942-L979 HydrophobicContact CZ2-CG 4.42Å; F946-L979 HydrophobicContact CZ-CD2 4.12Å; T968-L979 HydrophobicContact CG2-CD1 4.28Å; L975-L979 PolarHBondContact O-N 3.27Å; L975-L979 VanDerWaalsContact O-N 3.1Å; L976-L979 PolarHBondContact O-N 3.47Å; L979-Q981 VanDerWaalsContact C-N 3.31Å; L979-Q981 PolarHBondContact O-N 3.36Å; L979-Q982 PolarHBondContact O-N 3.07Å; L979-L983 PolarHBondContact O-N 3.29Å; L979-V994 HydrophobicContact CB-CG1 4.04Å; L979-V994 HydrophobicContact CD2-CG1 4.22Å; L979-V994 HydrophobicContact CD2-CG2 4.23Å; L979-V998 HydrophobicContact CD1-CG2 4.43Å; L979-F1020 HydrophobicContact CB-CZ 4.32Å |
| 980 | K | 84.3 | Confident | 80.9 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 30% | 0.3 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.9 | -35.9 | 176.7 | 178 | 171.3 | 167.2 | 168.8 | 0 | 112.8 | L976 P977 R978 L983 D1019 F1020 | L976-K980 PolarHBondContact O-N 3.46Å; L976-K980 VanDerWaalsContact O-N 3.08Å; P977-K980 WeakPolarHBondContact O-CB 3.42Å; P977-K980 PolarHBondContact O-N 3.08Å; R978-K980 VanDerWaalsContact C-N 3.33Å; R978-K980 PolarHBondContact O-N 3.5Å; K980-L983 WeakPolarHBondContact O-CB 3.39Å; K980-L983 PolarHBondContact O-N 3.32Å; K980-D1019 WeakPolarHBondContact CE-OD2 3.34Å; K980-D1019 IonicContact NZ-OD2 2.7Å; K980-D1019 PolarHBondContact NZ-OD2 3.46Å; K980-F1020 HydrophobicContact CB-CZ 4.25Å |
| 981 | Q | 84.3 | Confident | 81.1 | Confident | 132 Ų | 132 | 57.8 Ų | 57.8 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 175.8 | -171.1 | 176.9 | 5.2 | 0 | 0 | 111.8 | P977 R978 L979 L983 K984 | P977-Q981 PolarHBondContact O-N 3.36Å; R978-Q981 PolarHBondContact O-N 2.84Å; L979-Q981 VanDerWaalsContact C-N 3.31Å; L979-Q981 PolarHBondContact O-N 3.36Å; Q981-L983 PolarHBondContact O-N 3.36Å; Q981-K984 PolarHBondContact O-N 3.32Å; Q981-K984 VanDerWaalsContact O-N 3.16Å |
| 982 | Q | 79.5 | Confident | 81.4 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.5 | -23.5 | -179.9 | -65.7 | -61.3 | -21.9 | 0 | 0 | 113.3 | F946 R978 L979 K984 A985 G986 V994 | F946-Q982 HydrophobicContact CE1-CB 4.43Å; F946-Q982 HydrophobicContact CE1-CG 3.84Å; F946-Q982 HydrophobicContact CZ-CG 4.32Å; R978-Q982 WeakPolarHBondContact O-CG 3.5Å; R978-Q982 PolarHBondContact O-N 3.27Å; L979-Q982 PolarHBondContact O-N 3.07Å; Q982-K984 PolarHBondContact O-N 3.01Å; Q982-A985 PolarHBondContact O-N 3.46Å; Q982-G986 PolarHBondContact O-N 2.71Å; Q982-V994 HydrophobicContact CB-CG2 4.21Å |
| 983 | L | 78.9 | Confident | 81.6 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -31.4 | 172.1 | -159.2 | 110.4 | 0 | 0 | 0 | 112.9 | L979 K980 Q981 V994 V995 F1020 T1023 | L979-L983 PolarHBondContact O-N 3.29Å; K980-L983 WeakPolarHBondContact O-CB 3.39Å; K980-L983 PolarHBondContact O-N 3.32Å; Q981-L983 PolarHBondContact O-N 3.36Å; L983-V994 HydrophobicContact CD1-CG1 4.42Å; L983-V995 HydrophobicContact CD1-CG2 4.05Å; L983-F1020 HydrophobicContact CD1-CD1 3.52Å; L983-F1020 HydrophobicContact CD1-CE1 3.9Å; L983-T1023 HydrophobicContact CD1-CG2 3.7Å; L983-T1023 HydrophobicContact CD2-CG2 3.77Å; L983-T1023 HydrophobicContact CG-CG2 3.9Å |
| 984 | K | 76.6 | Confident | 81.9 | Confident | 180 Ų | 180 | 51.2 Ų | 51.2 | 78% | 0.783 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -90 | -27.5 | -177.5 | -66 | -175.6 | 178.1 | -177.3 | 0 | 114 | Q981 Q982 | Q981-K984 PolarHBondContact O-N 3.32Å; Q981-K984 VanDerWaalsContact O-N 3.16Å; Q982-K984 PolarHBondContact O-N 3.01Å |
| 985 | A | 65.4 | Low | 82.2 | Confident | 84 Ų | 84 | 45.7 Ų | 45.7 | 69% | 0.694 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -111.4 | -10 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q982 | Q982-A985 PolarHBondContact O-N 3.46Å |
| 986 | G | 70.2 | Confident | 82.4 | Confident | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -89.5 | 159.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q982 | Q982-G986 PolarHBondContact O-N 2.71Š|
| 987 | S | 81.9 | Confident | 82.6 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | trans | -59.9 | 159 | 167.9 | 56.8 | 0 | 0 | 0 | 0 | 112 | E950 L989 T990 R991 | E950-S987 WeakPolarHBondContact OE1-CB 3.39Å; E950-S987 PolarHBondContact OE1-OG 2.82Å; S987-L989 PolarHBondContact O-N 2.85Å; S987-T990 WeakPolarHBondContact O-CB 3.48Å; S987-T990 PolarHBondContact O-N 3.17Å; S987-T990 PolarHBondContact OG-OG1 3.35Å; S987-R991 PolarHBondContact O-N 2.9Å | ||
| 988 | P | 83.1 | Confident | 82.7 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 34% | 0.344 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -51.2 | -39.2 | 177.1 | -27.7 | 34.1 | 0 | 0 | 0 | 114.2 | R991 S992 D1028 V1031 | P988-R991 PolarHBondContact O-N 2.88Å; P988-S992 PolarHBondContact O-N 3.46Å; P988-D1028 HydrophobicContact CB-CB 4.4Å; P988-D1028 VanDerWaalsContact CB-OD2 3.26Å; P988-D1028 WeakPolarHBondContact CB-OD2 3.15Å; P988-D1028 WeakPolarHBondContact CG-OD2 3.34Å; P988-V1031 WeakPolarHBondContact O-CG2 3.19Å |
| 989 | L | 83.8 | Confident | 82.9 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 177.6 | -58.6 | 175.3 | 0 | 0 | 0 | 111.3 | S987 S992 T993 | S987-L989 PolarHBondContact O-N 2.85Å; L989-S992 WeakPolarHBondContact O-CB 3.38Å; L989-S992 PolarHBondContact O-N 2.72Å; L989-T993 PolarHBondContact O-N 2.96Å; L989-T993 PolarHBondContact O-OG1 3.18Å |
| 990 | T | 83.8 | Confident | 83.1 | Confident | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | S987 S992 T993 V994 | S987-T990 WeakPolarHBondContact O-CB 3.48Å; S987-T990 PolarHBondContact O-N 3.17Å; S987-T990 PolarHBondContact OG-OG1 3.35Å; T990-S992 VanDerWaalsContact C-N 3.32Å; T990-S992 PolarHBondContact O-N 3.33Å; T990-T993 PolarHBondContact O-N 3.46Å; T990-V994 HydrophobicContact CG2-CG2 4.4Å; T990-V994 VanDerWaalsContact O-CG2 3.3Å; T990-V994 WeakPolarHBondContact O-CG2 3.44Å; T990-V994 PolarHBondContact O-N 3.31Å |
| 991 | R | 86 | Confident | 83.1 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 174.8 | -68.9 | -177.2 | -67.9 | 168.6 | 5.4 | 111.3 | S987 P988 V994 V995 D1026 D1028 V1031 | S987-R991 PolarHBondContact O-N 2.9Å; P988-R991 PolarHBondContact O-N 2.88Å; R991-V994 PolarHBondContact O-N 3.04Å; R991-V995 WeakPolarHBondContact O-CG2 3.39Å; R991-V995 PolarHBondContact O-N 3.34Å; R991-V995 VanDerWaalsContact O-N 3.07Å; R991-D1026 IonicContact CZ-OD1 3.6Å; R991-D1026 IonicContact CZ-OD2 2.63Å; R991-D1026 VanDerWaalsContact CZ-OD2 3.24Å; R991-D1026 IonicContact NE-OD2 2.88Å; R991-D1026 IonicContact NH1-OD1 3.59Å; R991-D1026 PolarHBondContact NH1-OD1 2.93Å; R991-D1026 IonicContact NH1-OD2 2.76Å; R991-D1026 PolarHBondContact NH1-OD2 3.09Å; R991-D1026 IonicContact NH2-OD1 3.91Å; R991-D1026 PolarHBondContact NH2-OD1 3.25Å; R991-D1026 VanDerWaalsContact NH2-OD1 3.12Å; R991-D1026 IonicContact NH2-OD2 3.22Å; R991-D1028 IonicContact NH2-OD2 3.62Å; R991-D1028 PolarHBondContact NH2-OD2 3.42Å; R991-V1031 HydrophobicContact CB-CG1 4.48Å; R991-V1031 HydrophobicContact CB-CG2 4.33Å |
| 992 | S | 85.6 | Confident | 83.1 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | P988 L989 T990 V994 V995 T996 | P988-S992 PolarHBondContact O-N 3.46Å; L989-S992 WeakPolarHBondContact O-CB 3.38Å; L989-S992 PolarHBondContact O-N 2.72Å; T990-S992 VanDerWaalsContact C-N 3.32Å; T990-S992 PolarHBondContact O-N 3.33Å; S992-V994 VanDerWaalsContact C-N 3.34Å; S992-V994 PolarHBondContact O-N 3.16Å; S992-V995 PolarHBondContact O-N 3.45Å; S992-T996 PolarHBondContact O-N 3.38Å; S992-T996 PolarHBondContact O-OG1 3.22Å; S992-T996 VanDerWaalsContact O-OG1 3.06Å |
| 993 | T | 85.6 | Confident | 83 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -39.7 | -179.1 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | C949 V960 A961 L964 L989 T990 T996 A997 | C949-T993 HydrophobicContact CB-CG2 4.39Å; C949-T993 PolarHBondContact O-OG1 3.23Å; V960-T993 HydrophobicContact CG1-CG2 4.17Å; A961-T993 HydrophobicContact CB-CG2 3.91Å; A961-T993 WeakPolarHBondContact CB-O 3.26Å; L964-T993 HydrophobicContact CD1-CG2 4.4Å; L989-T993 PolarHBondContact O-N 2.96Å; L989-T993 PolarHBondContact O-OG1 3.18Å; T990-T993 PolarHBondContact O-N 3.46Å; T993-T996 PolarHBondContact O-N 3.3Å; T993-A997 WeakPolarHBondContact O-CB 3.3Å; T993-A997 PolarHBondContact O-N 3.27Å |
| 994 | V | 87.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -45.1 | 177.5 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | L979 Q982 L983 T990 R991 S992 A997 V998 F1020 | L979-V994 HydrophobicContact CB-CG1 4.04Å; L979-V994 HydrophobicContact CD2-CG1 4.22Å; L979-V994 HydrophobicContact CD2-CG2 4.23Å; Q982-V994 HydrophobicContact CB-CG2 4.21Å; L983-V994 HydrophobicContact CD1-CG1 4.42Å; T990-V994 HydrophobicContact CG2-CG2 4.4Å; T990-V994 VanDerWaalsContact O-CG2 3.3Å; T990-V994 WeakPolarHBondContact O-CG2 3.44Å; T990-V994 PolarHBondContact O-N 3.31Å; R991-V994 PolarHBondContact O-N 3.04Å; S992-V994 VanDerWaalsContact C-N 3.34Å; S992-V994 PolarHBondContact O-N 3.16Å; V994-A997 WeakPolarHBondContact O-CB 3.44Å; V994-A997 PolarHBondContact O-N 2.86Å; V994-A997 VanDerWaalsContact O-N 3.16Å; V994-V998 PolarHBondContact O-N 3.07Å; V994-V998 VanDerWaalsContact O-N 3.08Å; V994-F1020 HydrophobicContact CG1-CE1 3.91Å |
| 995 | V | 87.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L983 R991 S992 A997 V998 K999 T1023 V1034 A1035 M1038 | L983-V995 HydrophobicContact CD1-CG2 4.05Å; R991-V995 WeakPolarHBondContact O-CG2 3.39Å; R991-V995 PolarHBondContact O-N 3.34Å; R991-V995 VanDerWaalsContact O-N 3.07Å; S992-V995 PolarHBondContact O-N 3.45Å; V995-A997 VanDerWaalsContact C-N 3.3Å; V995-A997 PolarHBondContact O-N 3.37Å; V995-V998 PolarHBondContact O-N 2.99Å; V995-K999 PolarHBondContact O-N 2.96Å; V995-T1023 HydrophobicContact CG2-CG2 4.26Å; V995-V1034 HydrophobicContact CB-CG1 3.9Å; V995-V1034 HydrophobicContact CG1-CG1 3.82Å; V995-A1035 HydrophobicContact CG1-CB 4.45Å; V995-M1038 HydrophobicContact CG1-CB 3.97Å; V995-M1038 HydrophobicContact CG1-CE 4.1Å; V995-M1038 HydrophobicContact CG1-CG 4.29Å |
| 996 | T | 87.6 | Confident | 82.7 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | 172.1 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | A961 S992 T993 K999 F1000 V1034 | A961-T996 HydrophobicContact CB-CG2 3.57Å; S992-T996 PolarHBondContact O-N 3.38Å; S992-T996 PolarHBondContact O-OG1 3.22Å; S992-T996 VanDerWaalsContact O-OG1 3.06Å; T993-T996 PolarHBondContact O-N 3.3Å; T996-K999 VanDerWaalsContact O-CB 3.29Å; T996-K999 WeakPolarHBondContact O-CB 3.47Å; T996-K999 PolarHBondContact O-N 3.49Å; T996-F1000 HydrophobicContact CG2-CD2 4.02Å; T996-F1000 HydrophobicContact CG2-CE2 3.6Å; T996-F1000 WeakPolarHBondContact O-CD2 3.17Å; T996-F1000 PolarHBondContact O-N 3.36Å; T996-V1034 WeakPolarHBondContact OG1-CG1 3.25Å |
| 997 | A | 88.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A961 L964 G965 T993 V994 V995 K999 F1000 T1001 | A961-A997 HydrophobicContact CB-CB 4.33Å; A961-A997 VanDerWaalsContact O-CA 3.28Å; A961-A997 WeakPolarHBondContact O-CA 3.36Å; A961-A997 WeakPolarHBondContact O-CB 3.19Å; L964-A997 HydrophobicContact CB-CB 3.79Å; G965-A997 VanDerWaalsContact CA-O 3.3Å; G965-A997 WeakPolarHBondContact CA-O 3.37Å; T993-A997 WeakPolarHBondContact O-CB 3.3Å; T993-A997 PolarHBondContact O-N 3.27Å; V994-A997 WeakPolarHBondContact O-CB 3.44Å; V994-A997 PolarHBondContact O-N 2.86Å; V994-A997 VanDerWaalsContact O-N 3.16Å; V995-A997 VanDerWaalsContact C-N 3.3Å; V995-A997 PolarHBondContact O-N 3.37Å; A997-K999 VanDerWaalsContact C-N 3.32Å; A997-K999 PolarHBondContact O-N 3.33Å; A997-F1000 PolarHBondContact O-N 3.07Å; A997-F1000 VanDerWaalsContact O-N 3.1Å; A997-T1001 PolarHBondContact O-N 3.01Å |
| 998 | V | 87.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.1 | 177 | 0 | 0 | 0 | 0 | 111.1 | L979 V994 V995 F1000 T1001 L1013 I1017 F1020 | L979-V998 HydrophobicContact CD1-CG2 4.43Å; V994-V998 PolarHBondContact O-N 3.07Å; V994-V998 VanDerWaalsContact O-N 3.08Å; V995-V998 PolarHBondContact O-N 2.99Å; V998-F1000 VanDerWaalsContact C-N 3.25Å; V998-F1000 PolarHBondContact O-N 3.45Å; V998-T1001 WeakPolarHBondContact O-CB 3.31Å; V998-T1001 PolarHBondContact O-N 3.06Å; V998-T1001 PolarHBondContact O-OG1 3.46Å; V998-L1013 HydrophobicContact CG1-CD1 4.43Å; V998-I1017 HydrophobicContact CG1-CD1 4.07Å; V998-F1020 HydrophobicContact CG1-CD2 4.45Å; V998-F1020 HydrophobicContact CG2-CD1 3.85Å; V998-F1020 HydrophobicContact CG2-CD2 4.31Å; V998-F1020 HydrophobicContact CG2-CE1 3.6Å; V998-F1020 HydrophobicContact CG2-CE2 4.07Å; V998-F1020 HydrophobicContact CG2-CG 4.22Å; V998-F1020 HydrophobicContact CG2-CZ 3.72Å |
| 999 | K | 89.1 | Confident | 82 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -52.5 | -44.8 | 172.2 | 178.1 | -167.3 | 173.3 | -176.5 | 0 | 111.7 | V995 T996 A997 T1001 I1002 V1037 M1038 | V995-K999 PolarHBondContact O-N 2.96Å; T996-K999 VanDerWaalsContact O-CB 3.29Å; T996-K999 WeakPolarHBondContact O-CB 3.47Å; T996-K999 PolarHBondContact O-N 3.49Å; A997-K999 VanDerWaalsContact C-N 3.32Å; A997-K999 PolarHBondContact O-N 3.33Å; K999-T1001 VanDerWaalsContact C-N 3.26Å; K999-T1001 PolarHBondContact O-N 2.8Å; K999-I1002 WeakPolarHBondContact O-CB 3.44Å; K999-I1002 PolarHBondContact O-N 3.38Å; K999-I1002 VanDerWaalsContact O-N 3.16Å; K999-V1037 HydrophobicContact CD-CG1 4.02Å; K999-V1037 VanDerWaalsContact NZ-CG1 3.28Å; K999-M1038 HydrophobicContact CB-CB 4.09Å; K999-M1038 HydrophobicContact CB-CG 3.97Å |
| 1000 | F | 86.7 | Confident | 81.8 | Confident | 60 Ų | 60 | 37.3 Ų | 37.3 | 26% | 0.263 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -74.7 | -9.9 | 179.1 | -68.9 | -64.2 | 0 | 0 | 0 | 114.7 | E962 T996 A997 V998 I1002 | E962-F1000 VanDerWaalsContact CA-CD2 3.42Å; E962-F1000 HydrophobicContact CB-CD1 4.48Å; E962-F1000 HydrophobicContact CB-CD2 3.77Å; E962-F1000 HydrophobicContact CB-CE1 4.5Å; E962-F1000 HydrophobicContact CB-CE2 3.76Å; E962-F1000 HydrophobicContact CB-CG 4.14Å; E962-F1000 HydrophobicContact CB-CZ 4.14Å; E962-F1000 HydrophobicContact CG-CD1 4.01Å; E962-F1000 HydrophobicContact CG-CD2 4.16Å; E962-F1000 HydrophobicContact CG-CE1 4.17Å; E962-F1000 HydrophobicContact CG-CE2 4.29Å; E962-F1000 HydrophobicContact CG-CG 4Å; E962-F1000 HydrophobicContact CG-CZ 4.3Å; T996-F1000 HydrophobicContact CG2-CD2 4.02Å; T996-F1000 HydrophobicContact CG2-CE2 3.6Å; T996-F1000 WeakPolarHBondContact O-CD2 3.17Å; T996-F1000 PolarHBondContact O-N 3.36Å; A997-F1000 PolarHBondContact O-N 3.07Å; A997-F1000 VanDerWaalsContact O-N 3.1Å; V998-F1000 VanDerWaalsContact C-N 3.25Å; V998-F1000 PolarHBondContact O-N 3.45Å; F1000-I1002 VanDerWaalsContact C-N 3.33Å |
| 1001 | T | 85.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -78.4 | -18.3 | 168.2 | 67.8 | 0 | 0 | 0 | 0 | 113 | G965 T968 A997 V998 K999 V1003 I1009 L1013 | G965-T1001 WeakPolarHBondContact O-CG2 3.48Å; T968-T1001 HydrophobicContact CG2-CG2 4.17Å; A997-T1001 PolarHBondContact O-N 3.01Å; V998-T1001 WeakPolarHBondContact O-CB 3.31Å; V998-T1001 PolarHBondContact O-N 3.06Å; V998-T1001 PolarHBondContact O-OG1 3.46Å; K999-T1001 VanDerWaalsContact C-N 3.26Å; K999-T1001 PolarHBondContact O-N 2.8Å; T1001-V1003 PolarHBondContact O-N 3.5Å; T1001-I1009 HydrophobicContact CG2-CD1 4.26Å; T1001-L1013 VanDerWaalsContact OG1-CD1 3.31Å; T1001-L1013 WeakPolarHBondContact OG1-CD1 3.46Å |
| 1002 | I | 84.2 | Confident | 81.3 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | trans | -80.9 | 86.7 | -179.7 | -55.1 | 169.3 | 0 | 0 | 0 | 108.9 | K999 F1000 M1038 A1042 N1045 K1046 | K999-I1002 WeakPolarHBondContact O-CB 3.44Å; K999-I1002 PolarHBondContact O-N 3.38Å; K999-I1002 VanDerWaalsContact O-N 3.16Å; F1000-I1002 VanDerWaalsContact C-N 3.33Å; I1002-M1038 HydrophobicContact CD1-CG 4.47Å; I1002-M1038 HydrophobicContact CD1-SD 4.41Å; I1002-A1042 HydrophobicContact CD1-CB 3.73Å; I1002-N1045 HydrophobicContact CG2-CB 4.2Å; I1002-K1046 HydrophobicContact CG2-CB 4.41Å | ||
| 1003 | V | 78.5 | Confident | 81.1 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | trans | -83 | 149.8 | 173.5 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | L969 T1001 K1046 | L969-V1003 HydrophobicContact CD1-CG2 3.96Å; L969-V1003 HydrophobicContact CD2-CG2 4.37Å; T1001-V1003 PolarHBondContact O-N 3.5Å; V1003-K1046 WeakPolarHBondContact O-CD 3.23Å; V1003-K1046 WeakPolarHBondContact O-CE 3.42Å; V1003-K1046 PolarHBondContact O-NZ 3.16Å | ||
| 1004 | D | 73.6 | Confident | 80.8 | Confident | 103 Ų | 103 | 46.2 Ų | 46.2 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -63.9 | -39.5 | 178.9 | -165.6 | 26.9 | 0 | 0 | 0 | 112.5 | ||
| 1005 | H | 72.2 | Confident | 80.5 | Confident | 136 Ų | 136 | 52.5 Ų | 52.5 | 63% | 0.63 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -76 | 142.9 | 177.8 | -49.1 | -43.9 | 0 | 0 | 0 | 112.2 | A1007 K1046 | H1005-A1007 PolarHBondContact O-N 2.84Å; H1005-K1046 WeakPolarHBondContact O-CE 3.41Å; H1005-K1046 PolarHBondContact O-NZ 2.92Å |
| 1006 | P | 68.6 | Low | 80.1 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | trans | -62.8 | 122.9 | 178.2 | 26.6 | -33.1 | 0 | 0 | 0 | 109.8 | D1010 | P1006-D1010 WeakPolarHBondContact CA-OD2 3.28Š| ||
| 1007 | A | 71.3 | Confident | 79.9 | Confident | 30 Ų | 30 | 53 Ų | 53 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | trans | -124.9 | 155 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H1005 I1009 D1010 | H1005-A1007 PolarHBondContact O-N 2.84Å; A1007-I1009 HydrophobicContact CB-CG2 4.03Å; A1007-I1009 PolarHBondContact O-N 2.77Å; A1007-D1010 PolarHBondContact N-OD2 2.9Å; A1007-D1010 WeakPolarHBondContact O-CB 3.37Å; A1007-D1010 PolarHBondContact O-N 3.47Å | ||
| 1008 | P | 72.8 | Confident | 79.4 | Confident | 118 Ų | 118 | 53.9 Ų | 53.9 | 77% | 0.766 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19.9 | -179.7 | -24.1 | 33.4 | 0 | 0 | 0 | 114.2 | D1010 S1011 | P1008-D1010 PolarHBondContact O-N 3.4Å; P1008-S1011 PolarHBondContact O-OG 3.49Å |
| 1009 | I | 75.9 | Confident | 79.1 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -21.1 | 176.2 | -161.4 | 165.3 | 0 | 0 | 0 | 112.8 | T968 L969 P972 T1001 A1007 S1011 L1012 L1013 | T968-I1009 HydrophobicContact CG2-CD1 4.18Å; L969-I1009 HydrophobicContact CD2-CD1 4.03Å; L969-I1009 HydrophobicContact CD2-CG2 4.16Å; P972-I1009 HydrophobicContact CB-CB 4.28Å; P972-I1009 HydrophobicContact CB-CD1 3.91Å; P972-I1009 HydrophobicContact CB-CG1 3.81Å; T1001-I1009 HydrophobicContact CG2-CD1 4.26Å; A1007-I1009 HydrophobicContact CB-CG2 4.03Å; A1007-I1009 PolarHBondContact O-N 2.77Å; I1009-S1011 PolarHBondContact O-N 3.3Å; I1009-L1012 PolarHBondContact O-N 3.29Å; I1009-L1013 HydrophobicContact CG1-CB 4.44Å; I1009-L1013 HydrophobicContact CG1-CD1 4.45Å; I1009-L1013 WeakPolarHBondContact O-CB 3.29Å; I1009-L1013 PolarHBondContact O-N 2.96Å |
| 1010 | D | 79.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | -169.1 | -65.6 | -20.9 | 0 | 0 | 0 | 113 | P1006 A1007 P1008 K1014 K1046 L1049 | P1006-D1010 WeakPolarHBondContact CA-OD2 3.28Å; A1007-D1010 PolarHBondContact N-OD2 2.9Å; A1007-D1010 WeakPolarHBondContact O-CB 3.37Å; A1007-D1010 PolarHBondContact O-N 3.47Å; P1008-D1010 PolarHBondContact O-N 3.4Å; D1010-K1014 WeakPolarHBondContact O-CB 3.38Å; D1010-K1014 PolarHBondContact O-N 3.25Å; D1010-K1046 IonicContact OD1-NZ 3.23Å; D1010-K1046 PolarHBondContact OD1-NZ 3.43Å; D1010-K1046 VanDerWaalsContact OD2-CE 3.24Å; D1010-K1046 WeakPolarHBondContact OD2-CE 3.25Å; D1010-K1046 IonicContact OD2-NZ 3.49Å; D1010-K1046 PolarHBondContact OD2-NZ 2.9Å; D1010-L1049 WeakPolarHBondContact O-CD2 3.4Å |
| 1011 | S | 78.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -50.1 | 176 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | P1008 I1009 L1013 K1014 D1015 | P1008-S1011 PolarHBondContact O-OG 3.49Å; I1009-S1011 PolarHBondContact O-N 3.3Å; S1011-L1013 VanDerWaalsContact C-N 3.27Å; S1011-L1013 PolarHBondContact O-N 2.82Å; S1011-K1014 WeakPolarHBondContact O-CB 3.45Å; S1011-K1014 PolarHBondContact O-N 2.83Å; S1011-D1015 PolarHBondContact O-N 2.99Å |
| 1012 | L | 79.9 | Confident | 78.4 | Confident | 59 Ų | 59 | 56.8 Ų | 56.8 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 178.6 | -161.5 | 81 | 0 | 0 | 0 | 112.1 | P972 L976 I1009 S1016 | P972-L1012 HydrophobicContact CB-CD2 4.31Å; P972-L1012 WeakPolarHBondContact O-CD2 3.41Å; L976-L1012 HydrophobicContact CB-CD2 4.07Å; L976-L1012 HydrophobicContact CD2-CB 4.38Å; L976-L1012 HydrophobicContact CD2-CD2 3.61Å; L976-L1012 HydrophobicContact CD2-CG 3.89Å; L976-L1012 HydrophobicContact CG-CD2 4.48Å; I1009-L1012 PolarHBondContact O-N 3.29Å; L1012-S1016 WeakPolarHBondContact O-CB 3.46Å; L1012-S1016 PolarHBondContact O-N 2.89Å; L1012-S1016 PolarHBondContact O-OG 3.37Å |
| 1013 | L | 80.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.2 | -36.5 | 179.2 | -165.5 | 150 | 0 | 0 | 0 | 110.8 | V998 T1001 I1009 S1011 D1015 S1016 I1017 L1049 | V998-L1013 HydrophobicContact CG1-CD1 4.43Å; T1001-L1013 VanDerWaalsContact OG1-CD1 3.31Å; T1001-L1013 WeakPolarHBondContact OG1-CD1 3.46Å; I1009-L1013 HydrophobicContact CG1-CB 4.44Å; I1009-L1013 HydrophobicContact CG1-CD1 4.45Å; I1009-L1013 WeakPolarHBondContact O-CB 3.29Å; I1009-L1013 PolarHBondContact O-N 2.96Å; S1011-L1013 VanDerWaalsContact C-N 3.27Å; S1011-L1013 PolarHBondContact O-N 2.82Å; L1013-D1015 VanDerWaalsContact C-N 3.25Å; L1013-D1015 PolarHBondContact O-N 3.49Å; L1013-S1016 CarbonylContact O-C 3.56Å; L1013-S1016 PolarHBondContact O-N 3.18Å; L1013-I1017 HydrophobicContact CD2-CB 3.95Å; L1013-I1017 HydrophobicContact CD2-CD1 3.82Å; L1013-I1017 HydrophobicContact CD2-CG1 4.13Å; L1013-I1017 WeakPolarHBondContact O-CB 3.36Å; L1013-I1017 PolarHBondContact O-N 3.05Å; L1013-L1049 HydrophobicContact CD2-CD1 3.67Å; L1013-L1049 HydrophobicContact CD2-CD2 4.06Å; L1013-L1049 HydrophobicContact CD2-CG 4.38Å |
| 1014 | K | 80.5 | Confident | 78.2 | Confident | 122 Ų | 122 | 54.7 Ų | 54.7 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.9 | -40.2 | 173.5 | -170.9 | -178.6 | 178.9 | -173.5 | 0 | 112.2 | D1010 S1011 L1049 | D1010-K1014 WeakPolarHBondContact O-CB 3.38Å; D1010-K1014 PolarHBondContact O-N 3.25Å; S1011-K1014 WeakPolarHBondContact O-CB 3.45Å; S1011-K1014 PolarHBondContact O-N 2.83Å; K1014-L1049 HydrophobicContact CB-CD2 3.99Å |
| 1015 | D | 80.6 | Confident | 78.6 | Confident | 132 Ų | 132 | 55.4 Ų | 55.4 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.8 | -30.6 | 177.6 | -65.4 | -21.6 | 0 | 0 | 0 | 112.8 | S1011 L1013 | S1011-D1015 PolarHBondContact O-N 2.99Å; L1013-D1015 VanDerWaalsContact C-N 3.25Å; L1013-D1015 PolarHBondContact O-N 3.49Å |
| 1016 | S | 80 | Confident | 78.9 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -99.1 | -21.6 | -171.4 | -58.4 | 0 | 0 | 0 | 0 | 114.3 | L1012 L1013 G1018 D1019 F1020 | L1012-S1016 WeakPolarHBondContact O-CB 3.46Å; L1012-S1016 PolarHBondContact O-N 2.89Å; L1012-S1016 PolarHBondContact O-OG 3.37Å; L1013-S1016 CarbonylContact O-C 3.56Å; L1013-S1016 PolarHBondContact O-N 3.18Å; S1016-G1018 VanDerWaalsContact C-N 3.27Å; S1016-G1018 PolarHBondContact O-N 3.29Å; S1016-D1019 PolarHBondContact O-N 3.43Å; S1016-D1019 VanDerWaalsContact O-N 3.07Å; S1016-F1020 VanDerWaalsContact O-CD2 3.29Å; S1016-F1020 WeakPolarHBondContact O-CD2 3.41Å |
| 1017 | I | 82.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -33.1 | -172.3 | -165.1 | 67.5 | 0 | 0 | 0 | 112.4 | V998 L1013 D1019 F1020 L1021 M1038 L1053 | V998-I1017 HydrophobicContact CG1-CD1 4.07Å; L1013-I1017 HydrophobicContact CD2-CB 3.95Å; L1013-I1017 HydrophobicContact CD2-CD1 3.82Å; L1013-I1017 HydrophobicContact CD2-CG1 4.13Å; L1013-I1017 WeakPolarHBondContact O-CB 3.36Å; L1013-I1017 PolarHBondContact O-N 3.05Å; I1017-D1019 PolarHBondContact O-N 3.24Å; I1017-F1020 PolarHBondContact O-N 2.75Å; I1017-F1020 VanDerWaalsContact O-N 3.11Å; I1017-L1021 HydrophobicContact CG1-CD1 3.9Å; I1017-L1021 HydrophobicContact CG1-CG 4.29Å; I1017-L1021 WeakPolarHBondContact O-CG 3.39Å; I1017-L1021 PolarHBondContact O-N 3.27Å; I1017-M1038 HydrophobicContact CD1-CE 4.07Å; I1017-M1038 HydrophobicContact CD1-SD 3.65Å; I1017-L1053 HydrophobicContact CG2-CD1 3.58Å |
| 1018 | G | 79.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1016 K1022 | S1016-G1018 VanDerWaalsContact C-N 3.27Å; S1016-G1018 PolarHBondContact O-N 3.29Å; G1018-K1022 WeakPolarHBondContact O-CG 3.38Å; G1018-K1022 PolarHBondContact O-N 3.35Å |
| 1019 | D | 81.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.4 | -33.6 | 177.4 | -69.5 | -37.1 | 0 | 0 | 0 | 112.8 | K980 S1016 I1017 K1022 | K980-D1019 WeakPolarHBondContact CE-OD2 3.34Å; K980-D1019 IonicContact NZ-OD2 2.7Å; K980-D1019 PolarHBondContact NZ-OD2 3.46Å; S1016-D1019 PolarHBondContact O-N 3.43Å; S1016-D1019 VanDerWaalsContact O-N 3.07Å; I1017-D1019 PolarHBondContact O-N 3.24Å; D1019-K1022 IonicContact OD1-NZ 3.9Å; D1019-K1022 PolarHBondContact OD1-NZ 2.97Å |
| 1020 | F | 81.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 172.7 | -65.8 | -78.5 | 0 | 0 | 0 | 111.2 | L976 L979 K980 L983 V994 V998 S1016 I1017 K1022 T1023 M1038 | L976-F1020 HydrophobicContact CD1-CE2 4.4Å; L979-F1020 HydrophobicContact CB-CZ 4.32Å; K980-F1020 HydrophobicContact CB-CZ 4.25Å; L983-F1020 HydrophobicContact CD1-CD1 3.52Å; L983-F1020 HydrophobicContact CD1-CE1 3.9Å; V994-F1020 HydrophobicContact CG1-CE1 3.91Å; V998-F1020 HydrophobicContact CG1-CD2 4.45Å; V998-F1020 HydrophobicContact CG2-CD1 3.85Å; V998-F1020 HydrophobicContact CG2-CD2 4.31Å; V998-F1020 HydrophobicContact CG2-CE1 3.6Å; V998-F1020 HydrophobicContact CG2-CE2 4.07Å; V998-F1020 HydrophobicContact CG2-CG 4.22Å; V998-F1020 HydrophobicContact CG2-CZ 3.72Å; S1016-F1020 VanDerWaalsContact O-CD2 3.29Å; S1016-F1020 WeakPolarHBondContact O-CD2 3.41Å; I1017-F1020 PolarHBondContact O-N 2.75Å; I1017-F1020 VanDerWaalsContact O-N 3.11Å; F1020-K1022 VanDerWaalsContact C-N 3.31Å; F1020-K1022 PolarHBondContact O-N 3.45Å; F1020-T1023 WeakPolarHBondContact O-CB 3.42Å; F1020-T1023 WeakPolarHBondContact O-CG2 3.12Å; F1020-T1023 PolarHBondContact O-N 3.25Å; F1020-T1023 PolarHBondContact O-OG1 3.21Å; F1020-M1038 HydrophobicContact CB-CE 3.95Å |
| 1021 | L | 81.3 | Confident | 81 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.3 | -20.6 | 179.2 | -69.1 | 167.9 | 0 | 0 | 0 | 113.6 | I1017 T1023 L1024 M1038 F1039 L1053 I1057 | I1017-L1021 HydrophobicContact CG1-CD1 3.9Å; I1017-L1021 HydrophobicContact CG1-CG 4.29Å; I1017-L1021 WeakPolarHBondContact O-CG 3.39Å; I1017-L1021 PolarHBondContact O-N 3.27Å; L1021-T1023 PolarHBondContact O-N 3.09Å; L1021-T1023 VanDerWaalsContact O-N 3.15Å; L1021-L1024 WeakPolarHBondContact O-CB 3.29Å; L1021-L1024 WeakPolarHBondContact O-CD1 3.33Å; L1021-L1024 VanDerWaalsContact O-CG 3.29Å; L1021-L1024 WeakPolarHBondContact O-CG 3.46Å; L1021-L1024 PolarHBondContact O-N 2.9Å; L1021-M1038 HydrophobicContact CD2-CE 3.48Å; L1021-M1038 VanDerWaalsContact CD2-CE 3.48Å; L1021-M1038 HydrophobicContact CD2-SD 4.17Å; L1021-M1038 HydrophobicContact CG-CE 3.91Å; L1021-F1039 HydrophobicContact CD1-CD2 4.33Å; L1021-F1039 HydrophobicContact CD2-CB 3.81Å; L1021-F1039 HydrophobicContact CD2-CD2 3.87Å; L1021-F1039 HydrophobicContact CD2-CG 4.3Å; L1021-L1053 HydrophobicContact CD1-CD1 4.37Å; L1021-I1057 HydrophobicContact CB-CD1 4.5Å; L1021-I1057 HydrophobicContact CD1-CD1 3.51Å; L1021-I1057 HydrophobicContact CD1-CG1 4.44Å; L1021-I1057 HydrophobicContact CG-CD1 4.5Å |
| 1022 | K | 82.2 | Confident | 81.3 | Confident | 130 Ų | 130 | 49.1 Ų | 49.1 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -59.4 | -21.6 | 169.1 | -74.3 | 169 | -168.7 | 164 | 0 | 112.9 | G1018 D1019 F1020 L1024 Q1025 | G1018-K1022 WeakPolarHBondContact O-CG 3.38Å; G1018-K1022 PolarHBondContact O-N 3.35Å; D1019-K1022 IonicContact OD1-NZ 3.9Å; D1019-K1022 PolarHBondContact OD1-NZ 2.97Å; F1020-K1022 VanDerWaalsContact C-N 3.31Å; F1020-K1022 PolarHBondContact O-N 3.45Å; K1022-L1024 PolarHBondContact O-N 3.1Å; K1022-L1024 VanDerWaalsContact O-N 3.13Å; K1022-Q1025 PolarHBondContact O-N 3.22Å; K1022-Q1025 VanDerWaalsContact O-N 3.08Å |
| 1023 | T | 80 | Confident | 81.7 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.2 | -7.5 | 174.2 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | L983 V995 F1020 L1021 Q1025 D1026 A1035 | L983-T1023 HydrophobicContact CD1-CG2 3.7Å; L983-T1023 HydrophobicContact CD2-CG2 3.77Å; L983-T1023 HydrophobicContact CG-CG2 3.9Å; V995-T1023 HydrophobicContact CG2-CG2 4.26Å; F1020-T1023 WeakPolarHBondContact O-CB 3.42Å; F1020-T1023 WeakPolarHBondContact O-CG2 3.12Å; F1020-T1023 PolarHBondContact O-N 3.25Å; F1020-T1023 PolarHBondContact O-OG1 3.21Å; L1021-T1023 PolarHBondContact O-N 3.09Å; L1021-T1023 VanDerWaalsContact O-N 3.15Å; T1023-Q1025 PolarHBondContact O-N 3.01Å; T1023-Q1025 VanDerWaalsContact O-N 3.16Å; T1023-D1026 VanDerWaalsContact O-CB 3.25Å; T1023-D1026 WeakPolarHBondContact O-CB 3.46Å; T1023-D1026 PolarHBondContact O-N 3.3Å; T1023-D1026 VanDerWaalsContact O-N 3.14Å; T1023-A1035 WeakPolarHBondContact OG1-CB 3.45Å |
| 1024 | L | 78 | Confident | 82 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.5 | -21.2 | 166.3 | -71.2 | 168.7 | 0 | 0 | 0 | 112.7 | L1021 K1022 R1032 A1035 L1036 I1057 | L1021-L1024 WeakPolarHBondContact O-CB 3.29Å; L1021-L1024 WeakPolarHBondContact O-CD1 3.33Å; L1021-L1024 VanDerWaalsContact O-CG 3.29Å; L1021-L1024 WeakPolarHBondContact O-CG 3.46Å; L1021-L1024 PolarHBondContact O-N 2.9Å; K1022-L1024 PolarHBondContact O-N 3.1Å; K1022-L1024 VanDerWaalsContact O-N 3.13Å; L1024-R1032 WeakPolarHBondContact O-CD 3.37Å; L1024-R1032 WeakPolarHBondContact O-CG 3.27Å; L1024-A1035 HydrophobicContact CD2-CB 3.68Å; L1024-A1035 HydrophobicContact CG-CB 3.98Å; L1024-L1036 HydrophobicContact CD2-CD2 3.54Å; L1024-L1036 HydrophobicContact CD2-CG 3.64Å; L1024-I1057 HydrophobicContact CD1-CG2 3.97Å |
| 1025 | Q | 81.6 | Confident | 82.4 | Confident | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -94.3 | 4.9 | 179 | -57 | -179.8 | 10.9 | 0 | 0 | 113.8 | K1022 T1023 H1060 | K1022-Q1025 PolarHBondContact O-N 3.22Å; K1022-Q1025 VanDerWaalsContact O-N 3.08Å; T1023-Q1025 PolarHBondContact O-N 3.01Å; T1023-Q1025 VanDerWaalsContact O-N 3.16Å; Q1025-H1060 PolarHBondContact NE2-CE1 3.16Å; Q1025-H1060 PolarHBondContact NE2-NE2 3.27Å |
| 1026 | D | 80.1 | Confident | 82.8 | Confident | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | trans | -63.2 | 155.7 | -173 | -151.5 | -55.3 | 0 | 0 | 0 | 113.1 | R991 T1023 D1028 V1031 R1032 | R991-D1026 IonicContact CZ-OD1 3.6Å; R991-D1026 IonicContact CZ-OD2 2.63Å; R991-D1026 VanDerWaalsContact CZ-OD2 3.24Å; R991-D1026 IonicContact NE-OD2 2.88Å; R991-D1026 IonicContact NH1-OD1 3.59Å; R991-D1026 PolarHBondContact NH1-OD1 2.93Å; R991-D1026 IonicContact NH1-OD2 2.76Å; R991-D1026 PolarHBondContact NH1-OD2 3.09Å; R991-D1026 IonicContact NH2-OD1 3.91Å; R991-D1026 PolarHBondContact NH2-OD1 3.25Å; R991-D1026 VanDerWaalsContact NH2-OD1 3.12Å; R991-D1026 IonicContact NH2-OD2 3.22Å; T1023-D1026 VanDerWaalsContact O-CB 3.25Å; T1023-D1026 WeakPolarHBondContact O-CB 3.46Å; T1023-D1026 PolarHBondContact O-N 3.3Å; T1023-D1026 VanDerWaalsContact O-N 3.14Å; D1026-D1028 VanDerWaalsContact C-N 3.27Å; D1026-D1028 PolarHBondContact O-N 2.92Å; D1026-D1028 PolarHBondContact OD1-N 3.49Å; D1026-V1031 HydrophobicContact CB-CB 4.17Å; D1026-V1031 HydrophobicContact CB-CG1 3.93Å; D1026-R1032 PolarHBondContact O-NE 3.25Å; D1026-R1032 PolarHBondContact O-NH2 3.35Å | ||
| 1027 | S | 77.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 39.2 Ų | 39.2 | 67% | 0.671 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -65 | -31.7 | 176.3 | 50 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1028 | D | 82.6 | Confident | 83.6 | Confident | 57 Ų | 57 | 39.2 Ų | 39.2 | 31% | 0.305 | 21% | 0.206 | S | C | . | . | trans | -88.4 | 129.7 | -173.6 | -70.1 | -70.6 | 0 | 0 | 0 | 113.8 | P988 R991 D1026 N1030 V1031 R1032 | P988-D1028 HydrophobicContact CB-CB 4.4Å; P988-D1028 VanDerWaalsContact CB-OD2 3.26Å; P988-D1028 WeakPolarHBondContact CB-OD2 3.15Å; P988-D1028 WeakPolarHBondContact CG-OD2 3.34Å; R991-D1028 IonicContact NH2-OD2 3.62Å; R991-D1028 PolarHBondContact NH2-OD2 3.42Å; D1026-D1028 VanDerWaalsContact C-N 3.27Å; D1026-D1028 PolarHBondContact O-N 2.92Å; D1026-D1028 PolarHBondContact OD1-N 3.49Å; D1028-N1030 VanDerWaalsContact C-N 3.35Å; D1028-N1030 PolarHBondContact O-N 3.46Å; D1028-V1031 HydrophobicContact CB-CB 4.34Å; D1028-V1031 HydrophobicContact CB-CG2 3.9Å; D1028-V1031 PolarHBondContact O-N 2.94Å; D1028-R1032 PolarHBondContact O-N 3.42Å | ||
| 1029 | I | 82.6 | Confident | 84.1 | Confident | 56 Ų | 56 | 38.2 Ų | 38.2 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.1 | -43.4 | -178.6 | -57.1 | 168.4 | 0 | 0 | 0 | 111.4 | V1031 R1032 R1033 L1071 V1090 | I1029-V1031 VanDerWaalsContact C-N 3.31Å; I1029-V1031 PolarHBondContact O-N 2.92Å; I1029-R1032 PolarHBondContact O-N 3.11Å; I1029-R1033 PolarHBondContact O-N 2.68Å; I1029-L1071 HydrophobicContact CD1-CD1 3.93Å; I1029-L1071 HydrophobicContact CD1-CD2 3.57Å; I1029-L1071 HydrophobicContact CD1-CG 4.4Å; I1029-L1071 HydrophobicContact CG1-CD1 4.43Å; I1029-V1090 HydrophobicContact CG2-CG2 3.49Å; I1029-V1090 VanDerWaalsContact CG2-CG2 3.49Å |
| 1030 | N | 82.8 | Confident | 84.4 | Confident | 95 Ų | 95 | 37.8 Ų | 37.8 | 51% | 0.508 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.7 | -36.4 | -178.7 | -71.3 | -36.5 | 0 | 0 | 0 | 112.5 | D1028 R1033 V1034 | D1028-N1030 VanDerWaalsContact C-N 3.35Å; D1028-N1030 PolarHBondContact O-N 3.46Å; N1030-R1033 PolarHBondContact O-N 3.44Å; N1030-V1034 WeakPolarHBondContact O-CG2 3.36Å; N1030-V1034 PolarHBondContact O-N 2.98Å; N1030-V1034 VanDerWaalsContact O-N 3.07Å |
| 1031 | V | 85.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | P988 R991 D1026 D1028 I1029 R1033 V1034 A1035 | P988-V1031 WeakPolarHBondContact O-CG2 3.19Å; R991-V1031 HydrophobicContact CB-CG1 4.48Å; R991-V1031 HydrophobicContact CB-CG2 4.33Å; D1026-V1031 HydrophobicContact CB-CB 4.17Å; D1026-V1031 HydrophobicContact CB-CG1 3.93Å; D1028-V1031 HydrophobicContact CB-CB 4.34Å; D1028-V1031 HydrophobicContact CB-CG2 3.9Å; D1028-V1031 PolarHBondContact O-N 2.94Å; I1029-V1031 VanDerWaalsContact C-N 3.31Å; I1029-V1031 PolarHBondContact O-N 2.92Å; V1031-R1033 PolarHBondContact O-N 2.87Å; V1031-V1034 PolarHBondContact O-N 3.46Å; V1031-A1035 WeakPolarHBondContact O-CB 3.46Å; V1031-A1035 PolarHBondContact O-N 3.41Å |
| 1032 | R | 86.7 | Confident | 84.9 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 174.9 | -60 | -172.9 | -161.4 | -166.3 | 6 | 112.2 | L1024 D1026 D1028 I1029 V1034 A1035 L1036 E1064 R1068 | L1024-R1032 WeakPolarHBondContact O-CD 3.37Å; L1024-R1032 WeakPolarHBondContact O-CG 3.27Å; D1026-R1032 PolarHBondContact O-NE 3.25Å; D1026-R1032 PolarHBondContact O-NH2 3.35Å; D1028-R1032 PolarHBondContact O-N 3.42Å; I1029-R1032 PolarHBondContact O-N 3.11Å; R1032-V1034 VanDerWaalsContact C-N 3.33Å; R1032-V1034 PolarHBondContact O-N 3.3Å; R1032-A1035 PolarHBondContact O-N 3.3Å; R1032-L1036 WeakPolarHBondContact O-CG 3.11Å; R1032-L1036 PolarHBondContact O-N 2.98Å; R1032-E1064 WeakPolarHBondContact CD-OE1 3.3Å; R1032-E1064 IonicContact CZ-OE1 3.97Å; R1032-E1064 IonicContact NE-OE1 2.78Å; R1032-E1064 IonicContact NH1-OE1 3.94Å; R1032-E1064 PolarHBondContact NH1-OE1 3.2Å; R1032-E1064 IonicContact NH1-OE2 3.15Å; R1032-R1068 VanDerWaalsContact NH1-CZ 3.35Å; R1032-R1068 VanDerWaalsContact NH1-NH2 3.12Å |
| 1033 | R | 88.3 | Confident | 85 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.1 | -49.6 | 175.7 | -166.9 | -177.7 | 64.3 | 140.8 | 2.1 | 110.9 | E954 I1029 N1030 V1031 A1035 L1036 V1037 V1090 | E954-R1033 IonicContact OE1-CZ 3.72Å; E954-R1033 IonicContact OE1-NH2 3.2Å; E954-R1033 PolarHBondContact OE1-NH2 2.86Å; I1029-R1033 PolarHBondContact O-N 2.68Å; N1030-R1033 PolarHBondContact O-N 3.44Å; V1031-R1033 PolarHBondContact O-N 2.87Å; R1033-A1035 PolarHBondContact O-N 3.42Å; R1033-L1036 PolarHBondContact O-N 3.3Å; R1033-V1037 WeakPolarHBondContact O-CG2 3.21Å; R1033-V1037 PolarHBondContact O-N 3.02Å; R1033-V1090 HydrophobicContact CB-CG2 3.96Å; R1033-V1090 HydrophobicContact CG-CG2 4.43Å |
| 1034 | V | 87.4 | Confident | 85.2 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | -179 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | V995 T996 N1030 V1031 R1032 V1037 M1038 | V995-V1034 HydrophobicContact CB-CG1 3.9Å; V995-V1034 HydrophobicContact CG1-CG1 3.82Å; T996-V1034 WeakPolarHBondContact OG1-CG1 3.25Å; N1030-V1034 WeakPolarHBondContact O-CG2 3.36Å; N1030-V1034 PolarHBondContact O-N 2.98Å; N1030-V1034 VanDerWaalsContact O-N 3.07Å; V1031-V1034 PolarHBondContact O-N 3.46Å; R1032-V1034 VanDerWaalsContact C-N 3.33Å; R1032-V1034 PolarHBondContact O-N 3.3Å; V1034-V1037 PolarHBondContact O-N 3.32Å; V1034-M1038 WeakPolarHBondContact O-CB 3.46Å; V1034-M1038 PolarHBondContact O-N 2.69Å |
| 1035 | A | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V995 T1023 L1024 V1031 R1032 R1033 M1038 F1039 | V995-A1035 HydrophobicContact CG1-CB 4.45Å; T1023-A1035 WeakPolarHBondContact OG1-CB 3.45Å; L1024-A1035 HydrophobicContact CD2-CB 3.68Å; L1024-A1035 HydrophobicContact CG-CB 3.98Å; V1031-A1035 WeakPolarHBondContact O-CB 3.46Å; V1031-A1035 PolarHBondContact O-N 3.41Å; R1032-A1035 PolarHBondContact O-N 3.3Å; R1033-A1035 PolarHBondContact O-N 3.42Å; A1035-M1038 PolarHBondContact O-N 3.18Å; A1035-F1039 WeakPolarHBondContact O-CB 3.47Å; A1035-F1039 PolarHBondContact O-N 3.43Å |
| 1036 | L | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 172.6 | -71.1 | 172.9 | 0 | 0 | 0 | 111.7 | L1024 R1032 R1033 M1038 F1039 N1040 L1061 E1064 V1090 A1093 A1094 C1097 | L1024-L1036 HydrophobicContact CD2-CD2 3.54Å; L1024-L1036 HydrophobicContact CD2-CG 3.64Å; R1032-L1036 WeakPolarHBondContact O-CG 3.11Å; R1032-L1036 PolarHBondContact O-N 2.98Å; R1033-L1036 PolarHBondContact O-N 3.3Å; L1036-M1038 VanDerWaalsContact C-N 3.3Å; L1036-M1038 PolarHBondContact O-N 3.01Å; L1036-F1039 CarbonylContact O-C 3.58Å; L1036-F1039 WeakPolarHBondContact O-CB 3.41Å; L1036-F1039 PolarHBondContact O-N 2.81Å; L1036-N1040 WeakPolarHBondContact O-CB 3.5Å; L1036-N1040 PolarHBondContact O-N 2.98Å; L1036-L1061 HydrophobicContact CD2-CD1 3.41Å; L1036-L1061 VanDerWaalsContact CD2-CD1 3.41Å; L1036-E1064 HydrophobicContact CD1-CB 4.44Å; L1036-V1090 HydrophobicContact CD1-CG1 3.77Å; L1036-V1090 WeakPolarHBondContact CD1-O 3.44Å; L1036-A1093 HydrophobicContact CB-CB 4.06Å; L1036-A1093 HydrophobicContact CD1-CB 4.18Å; L1036-A1094 HydrophobicContact CD1-CB 4.01Å; L1036-C1097 PolarHBondContact O-SG 3.38Å |
| 1037 | V | 90 | Very high | 85.5 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 30% | 0.297 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.7 | -36.6 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | K999 R1033 V1034 N1040 S1041 A1093 | K999-V1037 HydrophobicContact CD-CG1 4.02Å; K999-V1037 VanDerWaalsContact NZ-CG1 3.28Å; R1033-V1037 WeakPolarHBondContact O-CG2 3.21Å; R1033-V1037 PolarHBondContact O-N 3.02Å; V1034-V1037 PolarHBondContact O-N 3.32Å; V1037-N1040 PolarHBondContact O-N 3.25Å; V1037-S1041 WeakPolarHBondContact O-CB 3.4Å; V1037-S1041 PolarHBondContact O-N 3.18Å; V1037-A1093 HydrophobicContact CG2-CB 4.45Å |
| 1038 | M | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 173.2 | -179.6 | -84 | -71.7 | 0 | 0 | 111.1 | V995 K999 I1002 I1017 F1020 L1021 V1034 A1035 L1036 N1040 S1041 A1042 | V995-M1038 HydrophobicContact CG1-CB 3.97Å; V995-M1038 HydrophobicContact CG1-CE 4.1Å; V995-M1038 HydrophobicContact CG1-CG 4.29Å; K999-M1038 HydrophobicContact CB-CB 4.09Å; K999-M1038 HydrophobicContact CB-CG 3.97Å; I1002-M1038 HydrophobicContact CD1-CG 4.47Å; I1002-M1038 HydrophobicContact CD1-SD 4.41Å; I1017-M1038 HydrophobicContact CD1-CE 4.07Å; I1017-M1038 HydrophobicContact CD1-SD 3.65Å; F1020-M1038 HydrophobicContact CB-CE 3.95Å; L1021-M1038 HydrophobicContact CD2-CE 3.48Å; L1021-M1038 VanDerWaalsContact CD2-CE 3.48Å; L1021-M1038 HydrophobicContact CD2-SD 4.17Å; L1021-M1038 HydrophobicContact CG-CE 3.91Å; V1034-M1038 WeakPolarHBondContact O-CB 3.46Å; V1034-M1038 PolarHBondContact O-N 2.69Å; A1035-M1038 PolarHBondContact O-N 3.18Å; L1036-M1038 VanDerWaalsContact C-N 3.3Å; L1036-M1038 PolarHBondContact O-N 3.01Å; M1038-N1040 VanDerWaalsContact C-N 3.29Å; M1038-N1040 PolarHBondContact O-N 3.45Å; M1038-S1041 WeakPolarHBondContact O-CB 3.28Å; M1038-S1041 PolarHBondContact O-N 3.47Å; M1038-A1042 WeakPolarHBondContact O-CB 3.05Å; M1038-A1042 PolarHBondContact O-N 3.24Å |
| 1039 | F | 89.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 174.2 | 177 | -99.5 | 0 | 0 | 0 | 112.1 | L1021 A1035 L1036 A1042 T1043 V1050 L1054 I1057 L1061 C1097 L1101 | L1021-F1039 HydrophobicContact CD1-CD2 4.33Å; L1021-F1039 HydrophobicContact CD2-CB 3.81Å; L1021-F1039 HydrophobicContact CD2-CD2 3.87Å; L1021-F1039 HydrophobicContact CD2-CG 4.3Å; A1035-F1039 WeakPolarHBondContact O-CB 3.47Å; A1035-F1039 PolarHBondContact O-N 3.43Å; L1036-F1039 CarbonylContact O-C 3.58Å; L1036-F1039 WeakPolarHBondContact O-CB 3.41Å; L1036-F1039 PolarHBondContact O-N 2.81Å; F1039-A1042 PolarHBondContact O-N 3.4Å; F1039-T1043 WeakPolarHBondContact O-CB 3.44Å; F1039-T1043 PolarHBondContact O-N 3.32Å; F1039-T1043 PolarHBondContact O-OG1 2.99Å; F1039-V1050 HydrophobicContact CD2-CG1 4.24Å; F1039-V1050 HydrophobicContact CE2-CG1 3.35Å; F1039-V1050 HydrophobicContact CE2-CG2 4.38Å; F1039-V1050 HydrophobicContact CZ-CG1 3.9Å; F1039-L1054 HydrophobicContact CZ-CD2 4.28Å; F1039-I1057 HydrophobicContact CD2-CD1 4.38Å; F1039-I1057 HydrophobicContact CD2-CG2 4.11Å; F1039-I1057 HydrophobicContact CE2-CB 4.42Å; F1039-I1057 HydrophobicContact CE2-CD1 3.96Å; F1039-I1057 HydrophobicContact CE2-CG2 3.7Å; F1039-I1057 HydrophobicContact CZ-CG2 4.06Å; F1039-L1061 HydrophobicContact CE1-CD2 4.3Å; F1039-C1097 HydrophobicContact CD1-CB 3.93Å; F1039-C1097 HydrophobicContact CE1-CB 4.1Å; F1039-L1101 HydrophobicContact CE1-CD1 3.95Å; F1039-L1101 HydrophobicContact CE1-CD2 4.32Å; F1039-L1101 HydrophobicContact CE1-CG 4.23Å; F1039-L1101 HydrophobicContact CZ-CD1 4.16Å; F1039-L1101 HydrophobicContact CZ-CD2 4.05Å; F1039-L1101 HydrophobicContact CZ-CG 4.43Å |
| 1040 | N | 89.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.1 | -160.3 | 21.3 | 0 | 0 | 0 | 111 | L1036 V1037 M1038 A1042 T1043 H1044 T1100 | L1036-N1040 WeakPolarHBondContact O-CB 3.5Å; L1036-N1040 PolarHBondContact O-N 2.98Å; V1037-N1040 PolarHBondContact O-N 3.25Å; M1038-N1040 VanDerWaalsContact C-N 3.29Å; M1038-N1040 PolarHBondContact O-N 3.45Å; N1040-A1042 VanDerWaalsContact C-N 3.33Å; N1040-A1042 PolarHBondContact O-N 3.35Å; N1040-T1043 PolarHBondContact O-N 3.34Å; N1040-H1044 WeakPolarHBondContact O-CB 3.37Å; N1040-H1044 PolarHBondContact O-N 3.48Å; N1040-T1100 WeakPolarHBondContact OD1-CB 3.27Å; N1040-T1100 PolarHBondContact OD1-OG1 3.22Å |
| 1041 | S | 87.1 | Confident | 84.9 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 176.4 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | V1037 M1038 N1045 | V1037-S1041 WeakPolarHBondContact O-CB 3.4Å; V1037-S1041 PolarHBondContact O-N 3.18Å; M1038-S1041 WeakPolarHBondContact O-CB 3.28Å; M1038-S1041 PolarHBondContact O-N 3.47Å; S1041-N1045 WeakPolarHBondContact O-CB 3.38Å; S1041-N1045 PolarHBondContact O-N 2.96Å; S1041-N1045 VanDerWaalsContact O-N 3.1Å |
| 1042 | A | 85.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1002 M1038 F1039 N1040 K1046 V1050 | I1002-A1042 HydrophobicContact CD1-CB 3.73Å; M1038-A1042 WeakPolarHBondContact O-CB 3.05Å; M1038-A1042 PolarHBondContact O-N 3.24Å; F1039-A1042 PolarHBondContact O-N 3.4Å; N1040-A1042 VanDerWaalsContact C-N 3.33Å; N1040-A1042 PolarHBondContact O-N 3.35Å; A1042-K1046 CarbonylContact O-C 3.5Å; A1042-K1046 WeakPolarHBondContact O-CA 3.48Å; A1042-K1046 PolarHBondContact O-N 3.06Å; A1042-V1050 HydrophobicContact CB-CG2 3.8Å |
| 1043 | T | 84.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | -179.2 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | F1039 N1040 P1047 T1100 L1101 S1104 | F1039-T1043 WeakPolarHBondContact O-CB 3.44Å; F1039-T1043 PolarHBondContact O-N 3.32Å; F1039-T1043 PolarHBondContact O-OG1 2.99Å; N1040-T1043 PolarHBondContact O-N 3.34Å; T1043-P1047 WeakPolarHBondContact O-CG 3.3Å; T1043-T1100 HydrophobicContact CG2-CG2 3.93Å; T1043-L1101 HydrophobicContact CG2-CD2 3.55Å; T1043-L1101 HydrophobicContact CG2-CG 4.01Å; T1043-S1104 PolarHBondContact O-OG 3.47Å |
| 1044 | H | 85.4 | Confident | 83.5 | Confident | 121 Ų | 121 | 31.9 Ų | 31.9 | 56% | 0.56 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -68.2 | -51.3 | -179.7 | -173.8 | -88.9 | 0 | 0 | 0 | 112.5 | N1040 T1100 | N1040-H1044 WeakPolarHBondContact O-CB 3.37Å; N1040-H1044 PolarHBondContact O-N 3.48Å; H1044-T1100 HydrophobicContact CB-CG2 3.72Å |
| 1045 | N | 83.1 | Confident | 82.9 | Confident | 49 Ų | 49 | 34.4 Ų | 34.4 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -86.9 | -37.9 | -171.9 | -60.9 | -16.2 | 0 | 0 | 0 | 112.3 | I1002 S1041 | I1002-N1045 HydrophobicContact CG2-CB 4.2Å; S1041-N1045 WeakPolarHBondContact O-CB 3.38Å; S1041-N1045 PolarHBondContact O-N 2.96Å; S1041-N1045 VanDerWaalsContact O-N 3.1Å |
| 1046 | K | 82.1 | Confident | 82.6 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | trans | -142.6 | 77.2 | -174.4 | -77.6 | -174.4 | 172.9 | 158.2 | 0 | 112.8 | I1002 V1003 H1005 D1010 A1042 S1048 L1049 | I1002-K1046 HydrophobicContact CG2-CB 4.41Å; V1003-K1046 WeakPolarHBondContact O-CD 3.23Å; V1003-K1046 WeakPolarHBondContact O-CE 3.42Å; V1003-K1046 PolarHBondContact O-NZ 3.16Å; H1005-K1046 WeakPolarHBondContact O-CE 3.41Å; H1005-K1046 PolarHBondContact O-NZ 2.92Å; D1010-K1046 IonicContact OD1-NZ 3.23Å; D1010-K1046 PolarHBondContact OD1-NZ 3.43Å; D1010-K1046 VanDerWaalsContact OD2-CE 3.24Å; D1010-K1046 WeakPolarHBondContact OD2-CE 3.25Å; D1010-K1046 IonicContact OD2-NZ 3.49Å; D1010-K1046 PolarHBondContact OD2-NZ 2.9Å; A1042-K1046 CarbonylContact O-C 3.5Å; A1042-K1046 WeakPolarHBondContact O-CA 3.48Å; A1042-K1046 PolarHBondContact O-N 3.06Å; K1046-S1048 PolarHBondContact O-N 3.49Å; K1046-S1048 VanDerWaalsContact O-N 3.11Å; K1046-L1049 HydrophobicContact CB-CD1 3.71Å; K1046-L1049 HydrophobicContact CB-CG 4.13Å; K1046-L1049 HydrophobicContact CD-CD1 4.16Å; K1046-L1049 PolarHBondContact O-N 3.29Å | ||
| 1047 | P | 80.4 | Confident | 82.3 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -61.4 | -25.8 | -178.6 | -14.2 | 24.1 | 0 | 0 | 0 | 113.4 | T1043 L1049 V1050 K1051 | T1043-P1047 WeakPolarHBondContact O-CG 3.3Å; P1047-L1049 PolarHBondContact O-N 3.33Å; P1047-V1050 PolarHBondContact O-N 2.88Å; P1047-K1051 WeakPolarHBondContact O-CG 3.49Å; P1047-K1051 PolarHBondContact O-N 2.86Å |
| 1048 | S | 78.3 | Confident | 82 | Confident | 80 Ų | 80 | 37.6 Ų | 37.6 | 56% | 0.559 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -58.2 | -29.9 | 179.3 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | K1046 V1050 | K1046-S1048 PolarHBondContact O-N 3.49Å; K1046-S1048 VanDerWaalsContact O-N 3.11Å; S1048-V1050 VanDerWaalsContact C-N 3.29Å |
| 1049 | L | 78.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -71 | -27.4 | 176.8 | -62.1 | 170.5 | 0 | 0 | 0 | 112.1 | D1010 L1013 K1014 K1046 P1047 | D1010-L1049 WeakPolarHBondContact O-CD2 3.4Å; L1013-L1049 HydrophobicContact CD2-CD1 3.67Å; L1013-L1049 HydrophobicContact CD2-CD2 4.06Å; L1013-L1049 HydrophobicContact CD2-CG 4.38Å; K1014-L1049 HydrophobicContact CB-CD2 3.99Å; K1046-L1049 HydrophobicContact CB-CD1 3.71Å; K1046-L1049 HydrophobicContact CB-CG 4.13Å; K1046-L1049 HydrophobicContact CD-CD1 4.16Å; K1046-L1049 PolarHBondContact O-N 3.29Å; P1047-L1049 PolarHBondContact O-N 3.33Å |
| 1050 | V | 79.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -30.7 | -169.8 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | F1039 A1042 P1047 S1048 G1052 L1053 L1054 | F1039-V1050 HydrophobicContact CD2-CG1 4.24Å; F1039-V1050 HydrophobicContact CE2-CG1 3.35Å; F1039-V1050 HydrophobicContact CE2-CG2 4.38Å; F1039-V1050 HydrophobicContact CZ-CG1 3.9Å; A1042-V1050 HydrophobicContact CB-CG2 3.8Å; P1047-V1050 PolarHBondContact O-N 2.88Å; S1048-V1050 VanDerWaalsContact C-N 3.29Å; V1050-G1052 VanDerWaalsContact C-N 3.27Å; V1050-G1052 PolarHBondContact O-N 2.78Å; V1050-G1052 VanDerWaalsContact O-N 3.08Å; V1050-L1053 PolarHBondContact O-N 3.29Å; V1050-L1054 HydrophobicContact CG1-CD2 3.67Å; V1050-L1054 HydrophobicContact CG1-CG 4.1Å; V1050-L1054 PolarHBondContact O-N 3.32Å |
| 1051 | K | 75.6 | Confident | 81.6 | Confident | 118 Ų | 118 | 42 Ų | 42 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -42.9 | -174.4 | -79.6 | -178.5 | -177.6 | -167.7 | 0 | 114.2 | P1047 L1053 | P1047-K1051 WeakPolarHBondContact O-CG 3.49Å; P1047-K1051 PolarHBondContact O-N 2.86Å; K1051-L1053 VanDerWaalsContact C-N 3.3Å; K1051-L1053 PolarHBondContact O-N 2.98Å |
| 1052 | G | 73.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 41.3 Ų | 41.3 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -16.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1050 | V1050-G1052 VanDerWaalsContact C-N 3.27Å; V1050-G1052 PolarHBondContact O-N 2.78Å; V1050-G1052 VanDerWaalsContact O-N 3.08Å |
| 1053 | L | 78.8 | Confident | 81.6 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -7.4 | -174.7 | -61.6 | 172.5 | 0 | 0 | 0 | 113.3 | I1017 L1021 V1050 K1051 G1055 T1056 I1057 | I1017-L1053 HydrophobicContact CG2-CD1 3.58Å; L1021-L1053 HydrophobicContact CD1-CD1 4.37Å; V1050-L1053 PolarHBondContact O-N 3.29Å; K1051-L1053 VanDerWaalsContact C-N 3.3Å; K1051-L1053 PolarHBondContact O-N 2.98Å; L1053-G1055 VanDerWaalsContact C-N 3.27Å; L1053-G1055 PolarHBondContact O-N 2.89Å; L1053-T1056 PolarHBondContact O-N 3.43Å; L1053-I1057 HydrophobicContact CB-CD1 3.45Å; L1053-I1057 VanDerWaalsContact CB-CD1 3.45Å; L1053-I1057 HydrophobicContact CB-CG1 4.32Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.35Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.31Å; L1053-I1057 PolarHBondContact O-N 3.43Å |
| 1054 | L | 78.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.9 | -41.9 | -177.9 | -74.7 | 174.3 | 0 | 0 | 0 | 112.6 | F1039 V1050 T1056 I1057 L1058 L1101 C1105 | F1039-L1054 HydrophobicContact CZ-CD2 4.28Å; V1050-L1054 HydrophobicContact CG1-CD2 3.67Å; V1050-L1054 HydrophobicContact CG1-CG 4.1Å; V1050-L1054 PolarHBondContact O-N 3.32Å; L1054-T1056 PolarHBondContact O-N 2.87Å; L1054-T1056 VanDerWaalsContact O-N 3.17Å; L1054-I1057 PolarHBondContact O-N 3.38Å; L1054-L1058 HydrophobicContact CB-CD1 4.12Å; L1054-L1058 HydrophobicContact CB-CG 4.37Å; L1054-L1058 HydrophobicContact CD2-CD2 4.45Å; L1054-L1058 HydrophobicContact CD2-CG 4.4Å; L1054-L1058 WeakPolarHBondContact O-CB 3.34Å; L1054-L1058 WeakPolarHBondContact O-CG 3.39Å; L1054-L1058 PolarHBondContact O-N 3.31Å; L1054-L1101 HydrophobicContact CD2-CD2 3.71Å; L1054-C1105 HydrophobicContact CD1-CB 4.03Å |
| 1055 | G | 76.8 | Confident | 81.6 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.1 | -28 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1053 | L1053-G1055 VanDerWaalsContact C-N 3.27Å; L1053-G1055 PolarHBondContact O-N 2.89Å |
| 1056 | T | 80.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 44.7 Ų | 44.7 | 58% | 0.577 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -90.1 | -33.9 | 176.4 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | L1053 L1054 H1060 | L1053-T1056 PolarHBondContact O-N 3.43Å; L1054-T1056 PolarHBondContact O-N 2.87Å; L1054-T1056 VanDerWaalsContact O-N 3.17Å; T1056-H1060 PolarHBondContact O-CD2 3.19Å; T1056-H1060 PolarHBondContact O-NE2 3.3Å |
| 1057 | I | 83.3 | Confident | 81.8 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85.3 | -38.1 | -171.8 | -61.8 | 157.9 | 0 | 0 | 0 | 112.4 | L1021 L1024 F1039 L1053 L1054 H1060 L1061 | L1021-I1057 HydrophobicContact CB-CD1 4.5Å; L1021-I1057 HydrophobicContact CD1-CD1 3.51Å; L1021-I1057 HydrophobicContact CD1-CG1 4.44Å; L1021-I1057 HydrophobicContact CG-CD1 4.5Å; L1024-I1057 HydrophobicContact CD1-CG2 3.97Å; F1039-I1057 HydrophobicContact CD2-CD1 4.38Å; F1039-I1057 HydrophobicContact CD2-CG2 4.11Å; F1039-I1057 HydrophobicContact CE2-CB 4.42Å; F1039-I1057 HydrophobicContact CE2-CD1 3.96Å; F1039-I1057 HydrophobicContact CE2-CG2 3.7Å; F1039-I1057 HydrophobicContact CZ-CG2 4.06Å; L1053-I1057 HydrophobicContact CB-CD1 3.45Å; L1053-I1057 VanDerWaalsContact CB-CD1 3.45Å; L1053-I1057 HydrophobicContact CB-CG1 4.32Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.35Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.31Å; L1053-I1057 PolarHBondContact O-N 3.43Å; L1054-I1057 PolarHBondContact O-N 3.38Å; I1057-H1060 WeakPolarHBondContact O-CA 3.26Å; I1057-H1060 WeakPolarHBondContact O-CB 3.41Å; I1057-H1060 PolarHBondContact O-N 2.91Å; I1057-L1061 PolarHBondContact O-N 3.43Å |
| 1058 | L | 83.9 | Confident | 81.9 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.8 | -44.7 | -175.8 | -72.9 | 169.3 | 0 | 0 | 0 | 113.2 | L1054 H1060 L1061 Y1062 L1101 L1109 | L1054-L1058 HydrophobicContact CB-CD1 4.12Å; L1054-L1058 HydrophobicContact CB-CG 4.37Å; L1054-L1058 HydrophobicContact CD2-CD2 4.45Å; L1054-L1058 HydrophobicContact CD2-CG 4.4Å; L1054-L1058 WeakPolarHBondContact O-CB 3.34Å; L1054-L1058 WeakPolarHBondContact O-CG 3.39Å; L1054-L1058 PolarHBondContact O-N 3.31Å; L1058-H1060 VanDerWaalsContact C-N 3.26Å; L1058-H1060 PolarHBondContact O-N 3.17Å; L1058-L1061 HydrophobicContact CD2-CD2 4.49Å; L1058-L1061 PolarHBondContact O-N 3.07Å; L1058-Y1062 HydrophobicContact CB-CD2 4.46Å; L1058-Y1062 HydrophobicContact CB-CE2 4.01Å; L1058-Y1062 WeakPolarHBondContact O-CB 3.28Å; L1058-Y1062 WeakPolarHBondContact O-CD2 3.27Å; L1058-Y1062 VanDerWaalsContact O-CG 3.24Å; L1058-Y1062 PolarHBondContact O-N 3.11Å; L1058-L1101 HydrophobicContact CD2-CD1 3.96Å; L1058-L1109 HydrophobicContact CD1-CD2 3.82Å; L1058-L1109 HydrophobicContact CD2-CD2 3.59Å; L1058-L1109 HydrophobicContact CG-CD2 4.35Å |
| 1059 | P | 86.3 | Confident | 81.9 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 175.5 | -24 | 34.9 | 0 | 0 | 0 | 113.5 | K1063 | P1059-K1063 WeakPolarHBondContact O-CB 3.24Å; P1059-K1063 PolarHBondContact O-N 3.17Å; P1059-K1063 VanDerWaalsContact O-N 3.12Å |
| 1060 | H | 84.8 | Confident | 82 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.6 | -39.8 | 177.6 | -59 | -44.2 | 0 | 0 | 0 | 111.7 | Q1025 T1056 I1057 L1058 K1063 E1064 | Q1025-H1060 PolarHBondContact NE2-CE1 3.16Å; Q1025-H1060 PolarHBondContact NE2-NE2 3.27Å; T1056-H1060 PolarHBondContact O-CD2 3.19Å; T1056-H1060 PolarHBondContact O-NE2 3.3Å; I1057-H1060 WeakPolarHBondContact O-CA 3.26Å; I1057-H1060 WeakPolarHBondContact O-CB 3.41Å; I1057-H1060 PolarHBondContact O-N 2.91Å; L1058-H1060 VanDerWaalsContact C-N 3.26Å; L1058-H1060 PolarHBondContact O-N 3.17Å; H1060-K1063 PolarHBondContact O-N 3.15Å; H1060-E1064 PolarHBondContact O-N 3.09Å |
| 1061 | L | 86.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 174.2 | -179.8 | 66.9 | 0 | 0 | 0 | 111 | L1036 F1039 I1057 L1058 K1063 E1064 T1065 A1094 C1097 M1098 L1101 | L1036-L1061 HydrophobicContact CD2-CD1 3.41Å; L1036-L1061 VanDerWaalsContact CD2-CD1 3.41Å; F1039-L1061 HydrophobicContact CE1-CD2 4.3Å; I1057-L1061 PolarHBondContact O-N 3.43Å; L1058-L1061 HydrophobicContact CD2-CD2 4.49Å; L1058-L1061 PolarHBondContact O-N 3.07Å; L1061-K1063 VanDerWaalsContact C-N 3.28Å; L1061-K1063 PolarHBondContact O-N 2.92Å; L1061-E1064 PolarHBondContact O-N 3.3Å; L1061-T1065 PolarHBondContact O-N 2.75Å; L1061-A1094 HydrophobicContact CD1-CB 3.96Å; L1061-C1097 HydrophobicContact CD1-CB 3.82Å; L1061-C1097 HydrophobicContact CD2-CB 4.27Å; L1061-M1098 HydrophobicContact CD2-CG 3.95Å; L1061-M1098 HydrophobicContact CG-CG 4.45Å; L1061-L1101 HydrophobicContact CD2-CD1 3.66Å |
| 1062 | Y | 87.3 | Confident | 82.6 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -28.6 | 178.2 | -65.8 | -31.2 | 0 | 0 | 0 | 113.6 | L1058 E1064 T1065 M1098 Q1113 F1114 H1117 | L1058-Y1062 HydrophobicContact CB-CD2 4.46Å; L1058-Y1062 HydrophobicContact CB-CE2 4.01Å; L1058-Y1062 WeakPolarHBondContact O-CB 3.28Å; L1058-Y1062 WeakPolarHBondContact O-CD2 3.27Å; L1058-Y1062 VanDerWaalsContact O-CG 3.24Å; L1058-Y1062 PolarHBondContact O-N 3.11Å; Y1062-E1064 VanDerWaalsContact C-N 3.28Å; Y1062-E1064 PolarHBondContact O-N 3.19Å; Y1062-T1065 PolarHBondContact O-N 3.07Å; Y1062-T1065 PolarHBondContact O-OG1 3.19Å; Y1062-M1098 HydrophobicContact CD1-CE 4.46Å; Y1062-M1098 HydrophobicContact CD1-SD 4.24Å; Y1062-M1098 HydrophobicContact CE1-CE 3.97Å; Y1062-M1098 HydrophobicContact CE1-CG 4.44Å; Y1062-M1098 HydrophobicContact CE1-SD 4.16Å; Y1062-Q1113 HydrophobicContact CD2-CG 4.16Å; Y1062-Q1113 HydrophobicContact CE2-CG 3.85Å; Y1062-F1114 HydrophobicContact CE1-CD2 4.34Å; Y1062-H1117 WeakPolarHBondContact CB-NE2 3.22Å; Y1062-H1117 HydrophobicContact CD1-CB 4.35Å; Y1062-H1117 AromaticContact CD1-CD2 3.29Å; Y1062-H1117 WeakPolarHBondContact CD1-CD2 3.39Å; Y1062-H1117 AromaticContact CD1-CG 3.85Å; Y1062-H1117 AromaticContact CD1-NE2 3.91Å; Y1062-H1117 AromaticContact CD2-CD2 3.8Å; Y1062-H1117 AromaticContact CD2-NE2 3.74Å; Y1062-H1117 AromaticContact CE1-CD2 3.8Å; Y1062-H1117 AromaticContact CG-CD2 3.31Å; Y1062-H1117 AromaticContact CG-NE2 3.4Å |
| 1063 | K | 86.4 | Confident | 83.2 | Confident | 129 Ų | 129 | 63.7 Ų | 63.7 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -69 | -29.2 | 173 | -171.2 | 176.6 | 179.9 | 179.8 | 0 | 112.5 | P1059 H1060 L1061 T1065 | P1059-K1063 WeakPolarHBondContact O-CB 3.24Å; P1059-K1063 PolarHBondContact O-N 3.17Å; P1059-K1063 VanDerWaalsContact O-N 3.12Å; H1060-K1063 PolarHBondContact O-N 3.15Å; L1061-K1063 VanDerWaalsContact C-N 3.28Å; L1061-K1063 PolarHBondContact O-N 2.92Å; K1063-T1065 VanDerWaalsContact C-N 3.35Å |
| 1064 | E | 84.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -82.9 | -9.3 | 177.7 | -63.6 | -60.6 | 151 | 0 | 0 | 112.9 | R1032 L1036 H1060 L1061 Y1062 Q1066 R1068 V1090 A1094 | R1032-E1064 WeakPolarHBondContact CD-OE1 3.3Å; R1032-E1064 IonicContact CZ-OE1 3.97Å; R1032-E1064 IonicContact NE-OE1 2.78Å; R1032-E1064 IonicContact NH1-OE1 3.94Å; R1032-E1064 PolarHBondContact NH1-OE1 3.2Å; R1032-E1064 IonicContact NH1-OE2 3.15Å; L1036-E1064 HydrophobicContact CD1-CB 4.44Å; H1060-E1064 PolarHBondContact O-N 3.09Å; L1061-E1064 PolarHBondContact O-N 3.3Å; Y1062-E1064 VanDerWaalsContact C-N 3.28Å; Y1062-E1064 PolarHBondContact O-N 3.19Å; E1064-Q1066 VanDerWaalsContact C-N 3.3Å; E1064-R1068 IonicContact OE1-CZ 3.2Å; E1064-R1068 IonicContact OE1-NH1 2.66Å; E1064-R1068 IonicContact OE1-NH2 3.24Å; E1064-R1068 PolarHBondContact OE1-NH2 3.4Å; E1064-R1068 IonicContact OE2-CZ 3.52Å; E1064-R1068 IonicContact OE2-NH1 3.91Å; E1064-R1068 IonicContact OE2-NH2 2.76Å; E1064-R1068 PolarHBondContact OE2-NH2 3.09Å; E1064-V1090 HydrophobicContact CB-CG1 4.33Å; E1064-A1094 HydrophobicContact CB-CB 4.35Å |
| 1065 | T | 85.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11.2 | 172.4 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | L1061 Y1062 K1063 A1094 F1095 M1098 | L1061-T1065 PolarHBondContact O-N 2.75Å; Y1062-T1065 PolarHBondContact O-N 3.07Å; Y1062-T1065 PolarHBondContact O-OG1 3.19Å; K1063-T1065 VanDerWaalsContact C-N 3.35Å; T1065-A1094 HydrophobicContact CG2-CB 3.82Å; T1065-F1095 HydrophobicContact CG2-CE1 4.41Å; T1065-F1095 HydrophobicContact CG2-CE2 4.33Å; T1065-F1095 HydrophobicContact CG2-CZ 4.24Å; T1065-M1098 HydrophobicContact CG2-SD 3.76Å |
| 1066 | Q | 85.7 | Confident | 84.2 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -82.9 | 142.8 | -177.8 | -65.7 | -176.3 | -15.9 | 0 | 0 | 112.5 | E1064 R1068 | E1064-Q1066 VanDerWaalsContact C-N 3.3Å; Q1066-R1068 PolarHBondContact O-N 2.92Å |
| 1067 | I | 83.9 | Confident | 84.2 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | trans | -71 | 118.3 | 177.9 | -56.7 | 173.2 | 0 | 0 | 0 | 109.9 | I1072 | I1067-I1072 HydrophobicContact CG2-CD1 3.79Š| ||
| 1068 | R | 81.4 | Confident | 84.1 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | trans | -96.8 | 108.5 | 174.1 | -66.5 | -173.5 | -174.7 | 155.2 | 9.3 | 110.7 | R1032 E1064 Q1066 D1070 L1071 | R1032-R1068 VanDerWaalsContact NH1-CZ 3.35Å; R1032-R1068 VanDerWaalsContact NH1-NH2 3.12Å; E1064-R1068 IonicContact OE1-CZ 3.2Å; E1064-R1068 IonicContact OE1-NH1 2.66Å; E1064-R1068 IonicContact OE1-NH2 3.24Å; E1064-R1068 PolarHBondContact OE1-NH2 3.4Å; E1064-R1068 IonicContact OE2-CZ 3.52Å; E1064-R1068 IonicContact OE2-NH1 3.91Å; E1064-R1068 IonicContact OE2-NH2 2.76Å; E1064-R1068 PolarHBondContact OE2-NH2 3.09Å; Q1066-R1068 PolarHBondContact O-N 2.92Å; R1068-D1070 PolarHBondContact O-N 3.48Å; R1068-L1071 HydrophobicContact CB-CD1 4.27Å; R1068-L1071 HydrophobicContact CB-CG 4.38Å; R1068-L1071 PolarHBondContact O-N 3.16Å | ||
| 1069 | K | 79.9 | Confident | 84 | Confident | 173 Ų | 173 | 81.1 Ų | 81.1 | 75% | 0.752 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -62.5 | -25.6 | -179.6 | -62.8 | -177.3 | -179.4 | 180 | 0 | 113.1 | L1071 I1072 | K1069-L1071 PolarHBondContact O-N 2.96Å; K1069-I1072 PolarHBondContact O-N 2.55Å |
| 1070 | D | 80.9 | Confident | 83.4 | Confident | 155 Ų | 155 | 83.3 Ų | 83.3 | 83% | 0.829 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -66 | -17.6 | 179.6 | -50.8 | -35 | 0 | 0 | 0 | 113.6 | R1068 | R1068-D1070 PolarHBondContact O-N 3.48Š|
| 1071 | L | 81.1 | Confident | 83.3 | Confident | 43 Ų | 43 | 86.6 Ų | 86.6 | 23% | 0.225 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -104.1 | 4.3 | -178.5 | -60 | 178.7 | 0 | 0 | 0 | 113.2 | I1029 R1068 K1069 D1086 | I1029-L1071 HydrophobicContact CD1-CD1 3.93Å; I1029-L1071 HydrophobicContact CD1-CD2 3.57Å; I1029-L1071 HydrophobicContact CD1-CG 4.4Å; I1029-L1071 HydrophobicContact CG1-CD1 4.43Å; R1068-L1071 HydrophobicContact CB-CD1 4.27Å; R1068-L1071 HydrophobicContact CB-CG 4.38Å; R1068-L1071 PolarHBondContact O-N 3.16Å; K1069-L1071 PolarHBondContact O-N 2.96Å; L1071-D1086 PolarHBondContact O-N 3.12Å |
| 1072 | I | 85.8 | Confident | 83.2 | Confident | 61 Ų | 61 | 92.1 Ų | 92.1 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.4 | -179.3 | -56 | 175.5 | 0 | 0 | 0 | 108.1 | I1067 K1069 D1085 | I1067-I1072 HydrophobicContact CG2-CD1 3.79Å; K1069-I1072 PolarHBondContact O-N 2.55Å; I1072-D1085 HydrophobicContact CG1-CB 4.18Å |
| 1073 | R | 86.1 | Confident | 83 | Confident | 139 Ų | 139 | 95.7 Ų | 95.7 | 53% | 0.525 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137 | 172.8 | 59.1 | -174.5 | 162.8 | 167.1 | -6.3 | 110.1 | V1084 D1086 | R1073-V1084 HydrophobicContact CG-CB 3.85Å; R1073-V1084 HydrophobicContact CG-CG1 4.5Å; R1073-V1084 PolarHBondContact N-O 2.9Å; R1073-V1084 PolarHBondContact O-N 3.37Å; R1073-D1086 IonicContact CZ-OD1 2.69Å; R1073-D1086 IonicContact CZ-OD2 3.14Å; R1073-D1086 IonicContact NE-OD1 3.83Å; R1073-D1086 IonicContact NE-OD2 3.43Å; R1073-D1086 IonicContact NH2-OD1 2.64Å; R1073-D1086 PolarHBondContact NH2-OD1 3.28Å; R1073-D1086 VanDerWaalsContact NH2-OD1 3.15Å; R1073-D1086 IonicContact NH2-OD2 2.94Å; R1073-D1086 PolarHBondContact NH2-OD2 3.42Å |
| 1074 | E | 85.4 | Confident | 82.9 | Confident | 108 Ų | 108 | 91.3 Ų | 91.3 | 51% | 0.505 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.4 | 172.2 | -66 | -171.4 | -178.5 | 0 | 0 | 108.9 | K1081 T1083 | E1074-K1081 IonicContact OE2-NZ 2.9Å; E1074-K1081 PolarHBondContact OE2-NZ 3.41Å; E1074-T1083 HydrophobicContact CG-CG2 4.03Å |
| 1075 | V | 85.9 | Confident | 83 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 37% | 0.37 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 104.9 | 168.4 | -176 | 0 | 0 | 0 | 0 | 107.1 | M1077 H1082 V1084 | V1075-M1077 HydrophobicContact CG1-CE 4.23Å; V1075-H1082 PolarHBondContact N-O 2.92Å; V1075-H1082 PolarHBondContact O-N 3.35Å; V1075-V1084 HydrophobicContact CG2-CG2 4.32Å |
| 1076 | E | 82.8 | Confident | 82.8 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 124.3 | 177 | -62.3 | -168.1 | 156.3 | 0 | 0 | 110.4 | K1081 | E1076-K1081 HydrophobicContact CG-CG 4.32Å; E1076-K1081 VanDerWaalsContact OE1-CE 3.27Å; E1076-K1081 WeakPolarHBondContact OE1-CE 3.42Å; E1076-K1081 IonicContact OE1-NZ 2.73Å; E1076-K1081 PolarHBondContact OE1-NZ 3.37Å |
| 1077 | M | 80 | Confident | 82.8 | Confident | 126 Ų | 126 | 91.5 Ų | 91.5 | 62% | 0.621 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 80.4 | 169.9 | -60.7 | -166.1 | -152.6 | 0 | 0 | 108.7 | V1075 F1080 | V1075-M1077 HydrophobicContact CG1-CE 4.23Å; M1077-F1080 HydrophobicContact CB-CB 4.49Å; M1077-F1080 PolarHBondContact N-O 3.21Å; M1077-F1080 PolarHBondContact O-N 3.34Å; M1077-F1080 VanDerWaalsContact O-N 3.14Å |
| 1078 | G | 82.8 | Confident | 82.9 | Confident | 69 Ų | 69 | 88.8 Ų | 88.8 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -121.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1080 | G1078-F1080 VanDerWaalsContact C-N 3.26Å; G1078-F1080 PolarHBondContact O-N 3.07Å |
| 1079 | P | 80.6 | Confident | 83.1 | Confident | 119 Ų | 119 | 90.2 Ų | 90.2 | 77% | 0.773 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.9 | 175.1 | 32.9 | -34.1 | 0 | 0 | 0 | 113.5 | ||
| 1080 | F | 74.4 | Confident | 83.5 | Confident | 113 Ų | 113 | 82.2 Ų | 82.2 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.1 | -179.2 | -59.5 | -79.4 | 0 | 0 | 0 | 110.8 | M1077 G1078 I1173 | M1077-F1080 HydrophobicContact CB-CB 4.49Å; M1077-F1080 PolarHBondContact N-O 3.21Å; M1077-F1080 PolarHBondContact O-N 3.34Å; M1077-F1080 VanDerWaalsContact O-N 3.14Å; G1078-F1080 VanDerWaalsContact C-N 3.26Å; G1078-F1080 PolarHBondContact O-N 3.07Å; F1080-I1173 HydrophobicContact CE1-CD1 3.96Å; F1080-I1173 HydrophobicContact CE2-CD1 4.13Å; F1080-I1173 HydrophobicContact CZ-CD1 3.32Å |
| 1081 | K | 81.6 | Confident | 83.9 | Confident | 126 Ų | 126 | 75.3 Ų | 75.3 | 55% | 0.548 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 113 | 171.6 | -64.2 | -178 | 162.9 | -111.9 | 0 | 108.3 | E1074 E1076 | E1074-K1081 IonicContact OE2-NZ 2.9Å; E1074-K1081 PolarHBondContact OE2-NZ 3.41Å; E1076-K1081 HydrophobicContact CG-CG 4.32Å; E1076-K1081 VanDerWaalsContact OE1-CE 3.27Å; E1076-K1081 WeakPolarHBondContact OE1-CE 3.42Å; E1076-K1081 IonicContact OE1-NZ 2.73Å; E1076-K1081 PolarHBondContact OE1-NZ 3.37Å |
| 1082 | H | 85.3 | Confident | 84.3 | Confident | 115 Ų | 115 | 76.9 Ų | 76.9 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.6 | 171.8 | -175.4 | -143.9 | 0 | 0 | 0 | 109.3 | V1075 | V1075-H1082 PolarHBondContact N-O 2.92Å; V1075-H1082 PolarHBondContact O-N 3.35Å |
| 1083 | T | 82.4 | Confident | 84.5 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.2 | 175.2 | 50.8 | 0 | 0 | 0 | 0 | 109.6 | E1074 | E1074-T1083 HydrophobicContact CG-CG2 4.03Å |
| 1084 | V | 85 | Confident | 84.7 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112.5 | 170.8 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | R1073 V1075 | R1073-V1084 HydrophobicContact CG-CB 3.85Å; R1073-V1084 HydrophobicContact CG-CG1 4.5Å; R1073-V1084 PolarHBondContact N-O 2.9Å; R1073-V1084 PolarHBondContact O-N 3.37Å; V1075-V1084 HydrophobicContact CG2-CG2 4.32Å |
| 1085 | D | 86.2 | Confident | 84.9 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 98.3 | 177.3 | -177.1 | -9 | 0 | 0 | 0 | 109.2 | I1072 G1087 L1088 R1091 | I1072-D1085 HydrophobicContact CG1-CB 4.18Å; D1085-G1087 PolarHBondContact O-N 3.37Å; D1085-G1087 WeakPolarHBondContact OD1-CA 3.49Å; D1085-G1087 PolarHBondContact OD1-N 2.9Å; D1085-L1088 HydrophobicContact CB-CB 4.21Å; D1085-L1088 WeakPolarHBondContact O-CB 3.24Å; D1085-L1088 PolarHBondContact O-N 3.13Å; D1085-L1088 PolarHBondContact OD1-N 2.79Å; D1085-R1091 IonicContact OD1-NH1 3.42Å; D1085-R1091 IonicContact OD2-CZ 2.79Å; D1085-R1091 IonicContact OD2-NH1 3.74Å; D1085-R1091 PolarHBondContact OD2-NH1 3.03Å; D1085-R1091 IonicContact OD2-NH2 2.79Å; D1085-R1091 PolarHBondContact OD2-NH2 2.89Å |
| 1086 | D | 82.7 | Confident | 85.1 | Confident | 75 Ų | 75 | 63 Ų | 63 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.3 | -180 | -64.3 | -30.6 | 0 | 0 | 0 | 111.7 | L1071 R1073 | L1071-D1086 PolarHBondContact O-N 3.12Å; R1073-D1086 IonicContact CZ-OD1 2.69Å; R1073-D1086 IonicContact CZ-OD2 3.14Å; R1073-D1086 IonicContact NE-OD1 3.83Å; R1073-D1086 IonicContact NE-OD2 3.43Å; R1073-D1086 IonicContact NH2-OD1 2.64Å; R1073-D1086 PolarHBondContact NH2-OD1 3.28Å; R1073-D1086 VanDerWaalsContact NH2-OD1 3.15Å; R1073-D1086 IonicContact NH2-OD2 2.94Å; R1073-D1086 PolarHBondContact NH2-OD2 3.42Å |
| 1087 | G | 84.1 | Confident | 85.4 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1085 D1089 V1090 R1091 | D1085-G1087 PolarHBondContact O-N 3.37Å; D1085-G1087 WeakPolarHBondContact OD1-CA 3.49Å; D1085-G1087 PolarHBondContact OD1-N 2.9Å; G1087-D1089 PolarHBondContact O-N 2.69Å; G1087-V1090 PolarHBondContact O-N 2.99Å; G1087-R1091 PolarHBondContact O-N 3.26Å; G1087-R1091 VanDerWaalsContact O-N 3.13Å |
| 1088 | L | 87.3 | Confident | 85.8 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.2 | -44.6 | -174.2 | -178.6 | 65.2 | 0 | 0 | 0 | 112.7 | D1085 V1090 R1091 K1092 H1125 I1128 | D1085-L1088 HydrophobicContact CB-CB 4.21Å; D1085-L1088 WeakPolarHBondContact O-CB 3.24Å; D1085-L1088 PolarHBondContact O-N 3.13Å; D1085-L1088 PolarHBondContact OD1-N 2.79Å; L1088-V1090 VanDerWaalsContact C-N 3.3Å; L1088-V1090 PolarHBondContact O-N 2.87Å; L1088-R1091 PolarHBondContact O-N 3.48Å; L1088-K1092 WeakPolarHBondContact O-CB 3.41Å; L1088-K1092 PolarHBondContact O-N 3.37Å; L1088-H1125 HydrophobicContact CD1-CB 3.66Å; L1088-I1128 HydrophobicContact CD1-CD1 3.89Å |
| 1089 | D | 86 | Confident | 86.2 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | -178.5 | -73.9 | -32.7 | 0 | 0 | 0 | 112.9 | G1087 A1093 | G1087-D1089 PolarHBondContact O-N 2.69Å; D1089-A1093 WeakPolarHBondContact O-CB 3.43Å; D1089-A1093 PolarHBondContact O-N 2.86Å |
| 1090 | V | 87.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.4 | -45.4 | 175.6 | 179 | 0 | 0 | 0 | 0 | 110.2 | I1029 R1033 L1036 E1064 G1087 L1088 K1092 A1093 A1094 | I1029-V1090 HydrophobicContact CG2-CG2 3.49Å; I1029-V1090 VanDerWaalsContact CG2-CG2 3.49Å; R1033-V1090 HydrophobicContact CB-CG2 3.96Å; R1033-V1090 HydrophobicContact CG-CG2 4.43Å; L1036-V1090 HydrophobicContact CD1-CG1 3.77Å; L1036-V1090 WeakPolarHBondContact CD1-O 3.44Å; E1064-V1090 HydrophobicContact CB-CG1 4.33Å; G1087-V1090 PolarHBondContact O-N 2.99Å; L1088-V1090 VanDerWaalsContact C-N 3.3Å; L1088-V1090 PolarHBondContact O-N 2.87Å; V1090-K1092 VanDerWaalsContact C-N 3.32Å; V1090-K1092 PolarHBondContact O-N 2.97Å; V1090-A1093 PolarHBondContact O-N 3.36Å; V1090-A1094 PolarHBondContact O-N 3.08Å |
| 1091 | R | 89.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 40 Ų | 40 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 176.3 | -64.3 | -152.2 | -61 | -86.9 | 4.9 | 110.9 | D1085 G1087 L1088 A1093 A1094 F1095 D1124 I1128 | D1085-R1091 IonicContact OD1-NH1 3.42Å; D1085-R1091 IonicContact OD2-CZ 2.79Å; D1085-R1091 IonicContact OD2-NH1 3.74Å; D1085-R1091 PolarHBondContact OD2-NH1 3.03Å; D1085-R1091 IonicContact OD2-NH2 2.79Å; D1085-R1091 PolarHBondContact OD2-NH2 2.89Å; G1087-R1091 PolarHBondContact O-N 3.26Å; G1087-R1091 VanDerWaalsContact O-N 3.13Å; L1088-R1091 PolarHBondContact O-N 3.48Å; R1091-A1093 PolarHBondContact O-N 3.44Å; R1091-A1094 WeakPolarHBondContact O-CB 3.22Å; R1091-A1094 PolarHBondContact O-N 3.24Å; R1091-A1094 VanDerWaalsContact O-N 3.1Å; R1091-F1095 VanDerWaalsContact O-CD2 3.24Å; R1091-F1095 WeakPolarHBondContact O-CD2 3.48Å; R1091-F1095 PolarHBondContact O-N 3.14Å; R1091-D1124 IonicContact CZ-OD1 2.94Å; R1091-D1124 IonicContact CZ-OD2 3.15Å; R1091-D1124 IonicContact NE-OD1 3.83Å; R1091-D1124 IonicContact NE-OD2 3.77Å; R1091-D1124 PolarHBondContact NE-OD2 2.98Å; R1091-D1124 IonicContact NH2-OD1 2.68Å; R1091-D1124 PolarHBondContact NH2-OD1 3.35Å; R1091-D1124 IonicContact NH2-OD2 2.77Å; R1091-I1128 HydrophobicContact CB-CD1 3.76Å |
| 1092 | K | 90.4 | Very high | 87.2 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58 | -48 | 176.2 | -176.1 | 178.4 | 176.5 | 178.7 | 0 | 111.7 | L1088 V1090 A1094 F1095 E1096 | L1088-K1092 WeakPolarHBondContact O-CB 3.41Å; L1088-K1092 PolarHBondContact O-N 3.37Å; V1090-K1092 VanDerWaalsContact C-N 3.32Å; V1090-K1092 PolarHBondContact O-N 2.97Å; K1092-A1094 VanDerWaalsContact C-N 3.27Å; K1092-A1094 PolarHBondContact O-N 3.24Å; K1092-F1095 PolarHBondContact O-N 3.34Å; K1092-E1096 WeakPolarHBondContact CE-OE1 3.21Å; K1092-E1096 WeakPolarHBondContact O-CG 3.07Å; K1092-E1096 PolarHBondContact O-N 3.35Å |
| 1093 | A | 88.3 | Confident | 86.9 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1036 V1037 D1089 V1090 R1091 E1096 C1097 | L1036-A1093 HydrophobicContact CB-CB 4.06Å; L1036-A1093 HydrophobicContact CD1-CB 4.18Å; V1037-A1093 HydrophobicContact CG2-CB 4.45Å; D1089-A1093 WeakPolarHBondContact O-CB 3.43Å; D1089-A1093 PolarHBondContact O-N 2.86Å; V1090-A1093 PolarHBondContact O-N 3.36Å; R1091-A1093 PolarHBondContact O-N 3.44Å; A1093-E1096 PolarHBondContact O-N 3.17Å; A1093-C1097 PolarHBondContact O-N 3.41Å; A1093-C1097 PolarHBondContact O-SG 3.23Å |
| 1094 | A | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1036 L1061 E1064 T1065 V1090 R1091 K1092 E1096 C1097 M1098 | L1036-A1094 HydrophobicContact CD1-CB 4.01Å; L1061-A1094 HydrophobicContact CD1-CB 3.96Å; E1064-A1094 HydrophobicContact CB-CB 4.35Å; T1065-A1094 HydrophobicContact CG2-CB 3.82Å; V1090-A1094 PolarHBondContact O-N 3.08Å; R1091-A1094 WeakPolarHBondContact O-CB 3.22Å; R1091-A1094 PolarHBondContact O-N 3.24Å; R1091-A1094 VanDerWaalsContact O-N 3.1Å; K1092-A1094 VanDerWaalsContact C-N 3.27Å; K1092-A1094 PolarHBondContact O-N 3.24Å; A1094-E1096 VanDerWaalsContact C-N 3.34Å; A1094-E1096 PolarHBondContact O-N 3.37Å; A1094-C1097 WeakPolarHBondContact O-CB 3.27Å; A1094-C1097 PolarHBondContact O-N 2.95Å; A1094-M1098 WeakPolarHBondContact O-CG 3.37Å; A1094-M1098 PolarHBondContact O-N 3.39Å |
| 1095 | F | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -34.4 | 174.7 | -76.9 | -73.3 | 0 | 0 | 0 | 112.4 | T1065 R1091 K1092 M1098 Y1099 H1117 G1121 I1128 L1131 T1132 M1135 | T1065-F1095 HydrophobicContact CG2-CE1 4.41Å; T1065-F1095 HydrophobicContact CG2-CE2 4.33Å; T1065-F1095 HydrophobicContact CG2-CZ 4.24Å; R1091-F1095 VanDerWaalsContact O-CD2 3.24Å; R1091-F1095 WeakPolarHBondContact O-CD2 3.48Å; R1091-F1095 PolarHBondContact O-N 3.14Å; K1092-F1095 PolarHBondContact O-N 3.34Å; F1095-M1098 HydrophobicContact CD1-SD 4.1Å; F1095-M1098 HydrophobicContact CE1-SD 4.32Å; F1095-M1098 WeakPolarHBondContact O-CB 3.48Å; F1095-M1098 PolarHBondContact O-N 3Å; F1095-Y1099 PolarHBondContact O-N 2.88Å; F1095-H1117 WeakPolarHBondContact CE1-O 3.36Å; F1095-G1121 VanDerWaalsContact CZ-CA 3.47Å; F1095-I1128 HydrophobicContact CD1-CG2 4.45Å; F1095-I1128 HydrophobicContact CD2-CB 4.43Å; F1095-I1128 HydrophobicContact CD2-CD1 4.17Å; F1095-I1128 HydrophobicContact CD2-CG1 4.22Å; F1095-I1128 HydrophobicContact CD2-CG2 3.4Å; F1095-I1128 HydrophobicContact CE1-CG2 4.47Å; F1095-I1128 HydrophobicContact CE2-CD1 4.28Å; F1095-I1128 HydrophobicContact CE2-CG2 3.43Å; F1095-I1128 VanDerWaalsContact CE2-CG2 3.43Å; F1095-I1128 HydrophobicContact CG-CG2 3.96Å; F1095-I1128 HydrophobicContact CZ-CG2 4Å; F1095-L1131 HydrophobicContact CB-CD2 3.64Å; F1095-T1132 HydrophobicContact CD1-CG2 3.76Å; F1095-T1132 HydrophobicContact CE1-CG2 3.82Å; F1095-T1132 HydrophobicContact CG-CG2 4.49Å; F1095-M1135 HydrophobicContact CD1-SD 4.33Å |
| 1096 | E | 90.3 | Very high | 85.3 | Confident | 71 Ų | 71 | 29.3 Ų | 29.3 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 172.2 | -76.3 | 177.4 | -169.4 | 0 | 0 | 111.3 | K1092 A1093 A1094 M1098 Y1099 T1100 L1131 | K1092-E1096 WeakPolarHBondContact CE-OE1 3.21Å; K1092-E1096 WeakPolarHBondContact O-CG 3.07Å; K1092-E1096 PolarHBondContact O-N 3.35Å; A1093-E1096 PolarHBondContact O-N 3.17Å; A1094-E1096 VanDerWaalsContact C-N 3.34Å; A1094-E1096 PolarHBondContact O-N 3.37Å; E1096-M1098 VanDerWaalsContact C-N 3.34Å; E1096-M1098 PolarHBondContact O-N 2.92Å; E1096-Y1099 WeakPolarHBondContact O-CB 3.22Å; E1096-Y1099 PolarHBondContact O-N 2.83Å; E1096-T1100 PolarHBondContact O-N 3.22Å; E1096-T1100 PolarHBondContact O-OG1 2.85Å; E1096-L1131 HydrophobicContact CB-CD2 4.38Å; E1096-L1131 HydrophobicContact CG-CD2 3.7Å |
| 1097 | C | 88.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61 | -43 | 173.6 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | L1036 F1039 L1061 A1093 A1094 Y1099 T1100 L1101 | L1036-C1097 PolarHBondContact O-SG 3.38Å; F1039-C1097 HydrophobicContact CD1-CB 3.93Å; F1039-C1097 HydrophobicContact CE1-CB 4.1Å; L1061-C1097 HydrophobicContact CD1-CB 3.82Å; L1061-C1097 HydrophobicContact CD2-CB 4.27Å; A1093-C1097 PolarHBondContact O-N 3.41Å; A1093-C1097 PolarHBondContact O-SG 3.23Å; A1094-C1097 WeakPolarHBondContact O-CB 3.27Å; A1094-C1097 PolarHBondContact O-N 2.95Å; C1097-Y1099 VanDerWaalsContact C-N 3.31Å; C1097-Y1099 PolarHBondContact O-N 3.47Å; C1097-T1100 PolarHBondContact O-N 2.95Å; C1097-L1101 WeakPolarHBondContact O-CB 3.45Å; C1097-L1101 VanDerWaalsContact O-CG 3.26Å; C1097-L1101 WeakPolarHBondContact O-CG 3.22Å; C1097-L1101 PolarHBondContact O-N 3.47Å |
| 1098 | M | 88.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.5 | -72.7 | -179.6 | 66 | 0 | 0 | 111.5 | L1061 Y1062 T1065 A1094 F1095 E1096 L1101 L1102 F1114 H1117 V1118 M1135 | L1061-M1098 HydrophobicContact CD2-CG 3.95Å; L1061-M1098 HydrophobicContact CG-CG 4.45Å; Y1062-M1098 HydrophobicContact CD1-CE 4.46Å; Y1062-M1098 HydrophobicContact CD1-SD 4.24Å; Y1062-M1098 HydrophobicContact CE1-CE 3.97Å; Y1062-M1098 HydrophobicContact CE1-CG 4.44Å; Y1062-M1098 HydrophobicContact CE1-SD 4.16Å; T1065-M1098 HydrophobicContact CG2-SD 3.76Å; A1094-M1098 WeakPolarHBondContact O-CG 3.37Å; A1094-M1098 PolarHBondContact O-N 3.39Å; F1095-M1098 HydrophobicContact CD1-SD 4.1Å; F1095-M1098 HydrophobicContact CE1-SD 4.32Å; F1095-M1098 WeakPolarHBondContact O-CB 3.48Å; F1095-M1098 PolarHBondContact O-N 3Å; E1096-M1098 VanDerWaalsContact C-N 3.34Å; E1096-M1098 PolarHBondContact O-N 2.92Å; M1098-L1101 PolarHBondContact O-N 3.26Å; M1098-L1102 PolarHBondContact O-N 3.36Å; M1098-F1114 HydrophobicContact CB-CE2 3.71Å; M1098-F1114 HydrophobicContact CB-CZ 3.71Å; M1098-F1114 HydrophobicContact CE-CD1 4.02Å; M1098-F1114 HydrophobicContact CE-CD2 3.75Å; M1098-F1114 HydrophobicContact CE-CE1 3.85Å; M1098-F1114 HydrophobicContact CE-CE2 3.57Å; M1098-F1114 HydrophobicContact CE-CG 3.97Å; M1098-F1114 HydrophobicContact CE-CZ 3.63Å; M1098-F1114 HydrophobicContact CG-CE2 4.01Å; M1098-F1114 HydrophobicContact CG-CZ 4.4Å; M1098-F1114 WeakPolarHBondContact O-CZ 3.2Å; M1098-H1117 HydrophobicContact CE-CB 3.89Å; M1098-H1117 HydrophobicContact SD-CB 4.38Å; M1098-V1118 HydrophobicContact CE-CG2 4.19Å; M1098-M1135 HydrophobicContact CB-CE 3.45Å; M1098-M1135 VanDerWaalsContact CB-CE 3.45Å; M1098-M1135 HydrophobicContact CE-CE 4.01Å |
| 1099 | Y | 89.9 | Confident | 83 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 175 | -178.4 | -101.7 | 0 | 0 | 0 | 111.9 | F1095 E1096 C1097 L1102 L1131 L1134 M1135 R1138 | F1095-Y1099 PolarHBondContact O-N 2.88Å; E1096-Y1099 WeakPolarHBondContact O-CB 3.22Å; E1096-Y1099 PolarHBondContact O-N 2.83Å; C1097-Y1099 VanDerWaalsContact C-N 3.31Å; C1097-Y1099 PolarHBondContact O-N 3.47Å; Y1099-L1102 WeakPolarHBondContact O-CB 3.07Å; Y1099-L1102 PolarHBondContact O-N 3.32Å; Y1099-L1131 HydrophobicContact CG-CD1 4.21Å; Y1099-L1134 HydrophobicContact CE2-CD2 3.74Å; Y1099-L1134 HydrophobicContact CE2-CG 3.75Å; Y1099-M1135 HydrophobicContact CD2-CG 3.58Å; Y1099-M1135 HydrophobicContact CG-CG 4.26Å; Y1099-R1138 PolarHBondContact OH-NH1 2.95Å |
| 1100 | T | 88 | Confident | 82.6 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.9 | -33 | 177.7 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | N1040 T1043 H1044 E1096 C1097 L1102 D1103 S1104 | N1040-T1100 WeakPolarHBondContact OD1-CB 3.27Å; N1040-T1100 PolarHBondContact OD1-OG1 3.22Å; T1043-T1100 HydrophobicContact CG2-CG2 3.93Å; H1044-T1100 HydrophobicContact CB-CG2 3.72Å; E1096-T1100 PolarHBondContact O-N 3.22Å; E1096-T1100 PolarHBondContact O-OG1 2.85Å; C1097-T1100 PolarHBondContact O-N 2.95Å; T1100-L1102 VanDerWaalsContact C-N 3.25Å; T1100-L1102 PolarHBondContact O-N 2.83Å; T1100-D1103 PolarHBondContact O-N 3.21Å; T1100-D1103 VanDerWaalsContact O-N 3.11Å; T1100-S1104 PolarHBondContact O-N 3.26Å; T1100-S1104 PolarHBondContact O-OG 3.37Å |
| 1101 | L | 85.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -31.3 | 175.7 | -78.1 | 168.8 | 0 | 0 | 0 | 113 | F1039 T1043 L1054 L1058 L1061 C1097 M1098 D1103 C1105 L1109 | F1039-L1101 HydrophobicContact CE1-CD1 3.95Å; F1039-L1101 HydrophobicContact CE1-CD2 4.32Å; F1039-L1101 HydrophobicContact CE1-CG 4.23Å; F1039-L1101 HydrophobicContact CZ-CD1 4.16Å; F1039-L1101 HydrophobicContact CZ-CD2 4.05Å; F1039-L1101 HydrophobicContact CZ-CG 4.43Å; T1043-L1101 HydrophobicContact CG2-CD2 3.55Å; T1043-L1101 HydrophobicContact CG2-CG 4.01Å; L1054-L1101 HydrophobicContact CD2-CD2 3.71Å; L1058-L1101 HydrophobicContact CD2-CD1 3.96Å; L1061-L1101 HydrophobicContact CD2-CD1 3.66Å; C1097-L1101 WeakPolarHBondContact O-CB 3.45Å; C1097-L1101 VanDerWaalsContact O-CG 3.26Å; C1097-L1101 WeakPolarHBondContact O-CG 3.22Å; C1097-L1101 PolarHBondContact O-N 3.47Å; M1098-L1101 PolarHBondContact O-N 3.26Å; L1101-D1103 PolarHBondContact O-N 3.2Å; L1101-C1105 HydrophobicContact CD2-CB 4.07Å; L1101-C1105 CarbonylContact O-C 3.56Å; L1101-C1105 PolarHBondContact O-N 3.19Å; L1101-L1109 HydrophobicContact CB-CD1 4.13Å; L1101-L1109 HydrophobicContact CD1-CD2 4.47Å |
| 1102 | L | 83.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -31.4 | 174.4 | -79.9 | 146.1 | 0 | 0 | 0 | 112.6 | M1098 Y1099 T1100 F1114 M1135 L1139 L1142 | M1098-L1102 PolarHBondContact O-N 3.36Å; Y1099-L1102 WeakPolarHBondContact O-CB 3.07Å; Y1099-L1102 PolarHBondContact O-N 3.32Å; T1100-L1102 VanDerWaalsContact C-N 3.25Å; T1100-L1102 PolarHBondContact O-N 2.83Å; L1102-F1114 HydrophobicContact CD1-CE1 3.73Å; L1102-F1114 HydrophobicContact CD1-CZ 3.45Å; L1102-F1114 VanDerWaalsContact CD1-CZ 3.45Å; L1102-F1114 HydrophobicContact CD2-CE1 4.3Å; L1102-F1114 HydrophobicContact CD2-CZ 4.37Å; L1102-F1114 HydrophobicContact CG-CE1 4.13Å; L1102-F1114 HydrophobicContact CG-CE2 4.48Å; L1102-F1114 HydrophobicContact CG-CZ 3.75Å; L1102-M1135 HydrophobicContact CD1-CB 4.29Å; L1102-M1135 HydrophobicContact CD1-CE 4.08Å; L1102-M1135 HydrophobicContact CD1-CG 4.22Å; L1102-L1139 HydrophobicContact CD2-CD2 3.36Å; L1102-L1139 HydrophobicContact CD2-CG 3.67Å; L1102-L1142 HydrophobicContact CB-CD1 4.35Å; L1102-L1142 HydrophobicContact CD2-CD1 4.14Å |
| 1103 | D | 80.2 | Confident | 81 | Confident | 72 Ų | 72 | 37.3 Ų | 37.3 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -82.6 | -40.1 | -174.9 | -67.4 | 10.8 | 0 | 0 | 0 | 111.5 | T1100 L1101 R1138 | T1100-D1103 PolarHBondContact O-N 3.21Å; T1100-D1103 VanDerWaalsContact O-N 3.11Å; L1101-D1103 PolarHBondContact O-N 3.2Å; D1103-R1138 IonicContact OD1-CZ 3.94Å; D1103-R1138 IonicContact OD1-NE 3.62Å; D1103-R1138 PolarHBondContact OD1-NE 3.43Å; D1103-R1138 VanDerWaalsContact OD1-NE 3.09Å; D1103-R1138 IonicContact OD1-NH1 2.77Å; D1103-R1138 PolarHBondContact OD1-NH1 3.01Å; D1103-R1138 IonicContact OD1-NH2 2.88Å; D1103-R1138 PolarHBondContact OD1-NH2 3.03Å; D1103-R1138 IonicContact OD2-CZ 3.94Å; D1103-R1138 IonicContact OD2-NH1 3.98Å; D1103-R1138 PolarHBondContact OD2-NH1 2.7Å; D1103-R1138 IonicContact OD2-NH2 2.62Å; D1103-R1138 PolarHBondContact OD2-NH2 3.39Å |
| 1104 | S | 75.7 | Confident | 80.9 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -105.7 | -28.6 | -164.1 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | T1043 T1100 | T1043-S1104 PolarHBondContact O-OG 3.47Å; T1100-S1104 PolarHBondContact O-N 3.26Å; T1100-S1104 PolarHBondContact O-OG 3.37Å |
| 1105 | C | 71.3 | Confident | 80.6 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.034 | 20% | 0.2 | C | C | . | . | trans | -139 | 35.4 | -163.3 | -75 | 0 | 0 | 0 | 0 | 114.3 | L1054 L1101 E1107 G1108 L1109 | L1054-C1105 HydrophobicContact CD1-CB 4.03Å; L1101-C1105 HydrophobicContact CD2-CB 4.07Å; L1101-C1105 CarbonylContact O-C 3.56Å; L1101-C1105 PolarHBondContact O-N 3.19Å; C1105-E1107 VanDerWaalsContact C-N 3.29Å; C1105-E1107 PolarHBondContact O-N 3.26Å; C1105-G1108 PolarHBondContact O-N 3.4Å; C1105-L1109 WeakPolarHBondContact O-CG 3.31Å | ||
| 1106 | L | 72.1 | Confident | 80.4 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -58.1 | -36.7 | -178 | -172.7 | 65.1 | 0 | 0 | 0 | 114 | G1108 L1109 L1142 | L1106-G1108 PolarHBondContact O-N 2.85Å; L1106-L1109 PolarHBondContact O-N 3Å; L1106-L1142 HydrophobicContact CD2-CB 4.29Å |
| 1107 | E | 64.6 | Low | 80.2 | Confident | 171 Ų | 171 | 37.4 Ų | 37.4 | 80% | 0.799 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -64.6 | -25.4 | -176.9 | -66 | 178.7 | 167.4 | 0 | 0 | 113.8 | C1105 | C1105-E1107 VanDerWaalsContact C-N 3.29Å; C1105-E1107 PolarHBondContact O-N 3.26Å |
| 1108 | G | 64.6 | Low | 80.2 | Confident | 47 Ų | 47 | 37.5 Ų | 37.5 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -94.4 | 0 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1105 L1106 | C1105-G1108 PolarHBondContact O-N 3.4Å; L1106-G1108 PolarHBondContact O-N 2.85Å |
| 1109 | L | 76.5 | Confident | 80.1 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -99.2 | 137.1 | -174.8 | -62.8 | 173.9 | 0 | 0 | 0 | 111.8 | L1058 L1101 C1105 L1106 V1111 F1114 | L1058-L1109 HydrophobicContact CD1-CD2 3.82Å; L1058-L1109 HydrophobicContact CD2-CD2 3.59Å; L1058-L1109 HydrophobicContact CG-CD2 4.35Å; L1101-L1109 HydrophobicContact CB-CD1 4.13Å; L1101-L1109 HydrophobicContact CD1-CD2 4.47Å; C1105-L1109 WeakPolarHBondContact O-CG 3.31Å; L1106-L1109 PolarHBondContact O-N 3Å; L1109-V1111 PolarHBondContact O-N 3.45Å; L1109-F1114 HydrophobicContact CD1-CD2 4.3Å; L1109-F1114 HydrophobicContact CD1-CE2 4.37Å |
| 1110 | D | 77.6 | Confident | 79.9 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | trans | -77.3 | 101 | 159.4 | -173.9 | -3.2 | 0 | 0 | 0 | 109.2 | L1112 Q1113 F1114 | D1110-L1112 PolarHBondContact O-N 2.94Å; D1110-L1112 PolarHBondContact OD1-N 3.28Å; D1110-Q1113 HydrophobicContact CB-CB 4.13Å; D1110-Q1113 PolarHBondContact O-N 3.43Å; D1110-F1114 WeakPolarHBondContact O-CB 3.36Å; D1110-F1114 PolarHBondContact O-N 3.32Å | ||
| 1111 | V | 78 | Confident | 79.8 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 9% | 0.085 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -34.8 | -178.5 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | L1109 F1114 L1115 C1143 A1146 | L1109-V1111 PolarHBondContact O-N 3.45Å; V1111-F1114 PolarHBondContact O-N 3.14Å; V1111-L1115 HydrophobicContact CG1-CD1 3.66Å; V1111-L1115 WeakPolarHBondContact O-CD1 3.43Å; V1111-L1115 PolarHBondContact O-N 2.71Å; V1111-C1143 HydrophobicContact CG1-CB 4.29Å; V1111-A1146 HydrophobicContact CB-CB 4.44Å; V1111-A1146 HydrophobicContact CG1-CB 3.55Å |
| 1112 | L | 75.9 | Confident | 79.8 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.6 | -45.2 | -178.2 | -67.7 | 174.9 | 0 | 0 | 0 | 111.6 | D1110 F1114 L1115 D1116 R1150 | D1110-L1112 PolarHBondContact O-N 2.94Å; D1110-L1112 PolarHBondContact OD1-N 3.28Å; L1112-F1114 VanDerWaalsContact C-N 3.29Å; L1112-F1114 PolarHBondContact O-N 3.25Å; L1112-L1115 PolarHBondContact O-N 3.5Å; L1112-D1116 PolarHBondContact O-N 2.94Å; L1112-R1150 VanDerWaalsContact O-CZ 3.27Å; L1112-R1150 PolarHBondContact O-NH1 3.14Å; L1112-R1150 PolarHBondContact O-NH2 3.1Å |
| 1113 | Q | 80.9 | Confident | 79.9 | Confident | 77 Ų | 77 | 45.2 Ų | 45.2 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 174 | -172.9 | 178.5 | 22.1 | 0 | 0 | 111.3 | Y1062 D1110 L1115 D1116 H1117 | Y1062-Q1113 HydrophobicContact CD2-CG 4.16Å; Y1062-Q1113 HydrophobicContact CE2-CG 3.85Å; D1110-Q1113 HydrophobicContact CB-CB 4.13Å; D1110-Q1113 PolarHBondContact O-N 3.43Å; Q1113-L1115 VanDerWaalsContact C-N 3.31Å; Q1113-L1115 PolarHBondContact O-N 3.44Å; Q1113-D1116 PolarHBondContact O-N 2.81Å; Q1113-H1117 PolarHBondContact O-CD2 3.39Å; Q1113-H1117 VanDerWaalsContact O-CD2 3.25Å |
| 1114 | F | 85.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 176 | -169.3 | -80.6 | 0 | 0 | 0 | 111.9 | Y1062 M1098 L1102 L1109 D1110 V1111 L1112 D1116 H1117 V1118 M1135 L1139 | Y1062-F1114 HydrophobicContact CE1-CD2 4.34Å; M1098-F1114 HydrophobicContact CB-CE2 3.71Å; M1098-F1114 HydrophobicContact CB-CZ 3.71Å; M1098-F1114 HydrophobicContact CE-CD1 4.02Å; M1098-F1114 HydrophobicContact CE-CD2 3.75Å; M1098-F1114 HydrophobicContact CE-CE1 3.85Å; M1098-F1114 HydrophobicContact CE-CE2 3.57Å; M1098-F1114 HydrophobicContact CE-CG 3.97Å; M1098-F1114 HydrophobicContact CE-CZ 3.63Å; M1098-F1114 HydrophobicContact CG-CE2 4.01Å; M1098-F1114 HydrophobicContact CG-CZ 4.4Å; M1098-F1114 WeakPolarHBondContact O-CZ 3.2Å; L1102-F1114 HydrophobicContact CD1-CE1 3.73Å; L1102-F1114 HydrophobicContact CD1-CZ 3.45Å; L1102-F1114 VanDerWaalsContact CD1-CZ 3.45Å; L1102-F1114 HydrophobicContact CD2-CE1 4.3Å; L1102-F1114 HydrophobicContact CD2-CZ 4.37Å; L1102-F1114 HydrophobicContact CG-CE1 4.13Å; L1102-F1114 HydrophobicContact CG-CE2 4.48Å; L1102-F1114 HydrophobicContact CG-CZ 3.75Å; L1109-F1114 HydrophobicContact CD1-CD2 4.3Å; L1109-F1114 HydrophobicContact CD1-CE2 4.37Å; D1110-F1114 WeakPolarHBondContact O-CB 3.36Å; D1110-F1114 PolarHBondContact O-N 3.32Å; V1111-F1114 PolarHBondContact O-N 3.14Å; L1112-F1114 VanDerWaalsContact C-N 3.29Å; L1112-F1114 PolarHBondContact O-N 3.25Å; F1114-D1116 VanDerWaalsContact C-N 3.32Å; F1114-D1116 PolarHBondContact O-N 2.89Å; F1114-H1117 PolarHBondContact O-N 3.13Å; F1114-V1118 HydrophobicContact CD1-CG2 3.77Å; F1114-V1118 HydrophobicContact CE1-CG2 3.61Å; F1114-V1118 WeakPolarHBondContact O-CG2 3.11Å; F1114-V1118 PolarHBondContact O-N 2.77Å; F1114-V1118 VanDerWaalsContact O-N 3.11Å; F1114-M1135 HydrophobicContact CE1-CE 3.6Å; F1114-M1135 HydrophobicContact CZ-CE 3.39Å; F1114-L1139 HydrophobicContact CD1-CD1 4.18Å; F1114-L1139 HydrophobicContact CE1-CD1 4.02Å |
| 1115 | L | 84.2 | Confident | 80.7 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -30.8 | 177.7 | -96.3 | 78.3 | 0 | 0 | 0 | 113.3 | V1111 L1112 Q1113 H1117 V1118 E1119 L1139 V1147 R1150 L1154 | V1111-L1115 HydrophobicContact CG1-CD1 3.66Å; V1111-L1115 WeakPolarHBondContact O-CD1 3.43Å; V1111-L1115 PolarHBondContact O-N 2.71Å; L1112-L1115 PolarHBondContact O-N 3.5Å; Q1113-L1115 VanDerWaalsContact C-N 3.31Å; Q1113-L1115 PolarHBondContact O-N 3.44Å; L1115-H1117 VanDerWaalsContact C-N 3.33Å; L1115-H1117 PolarHBondContact O-N 3.33Å; L1115-V1118 PolarHBondContact O-N 3.21Å; L1115-E1119 PolarHBondContact O-N 2.62Å; L1115-L1139 HydrophobicContact CD1-CD1 4.07Å; L1115-L1139 HydrophobicContact CD1-CD2 4.28Å; L1115-V1147 HydrophobicContact CD2-CG2 4.4Å; L1115-R1150 HydrophobicContact CD2-CB 4.11Å; L1115-L1154 HydrophobicContact CD2-CD1 4.25Å |
| 1116 | D | 86 | Confident | 81.4 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 176.3 | -72.7 | -48.1 | 0 | 0 | 0 | 110.7 | L1112 Q1113 F1114 E1119 E1120 R1150 | L1112-D1116 PolarHBondContact O-N 2.94Å; Q1113-D1116 PolarHBondContact O-N 2.81Å; F1114-D1116 VanDerWaalsContact C-N 3.32Å; F1114-D1116 PolarHBondContact O-N 2.89Å; D1116-E1119 WeakPolarHBondContact O-CB 3.41Å; D1116-E1119 PolarHBondContact O-N 2.93Å; D1116-E1120 PolarHBondContact O-N 3.15Å; D1116-R1150 IonicContact OD1-CZ 3.98Å; D1116-R1150 VanDerWaalsContact OD1-CZ 3.22Å; D1116-R1150 IonicContact OD1-NH1 2.74Å; D1116-R1150 PolarHBondContact OD1-NH1 3.3Å; D1116-R1150 IonicContact OD1-NH2 3.69Å; D1116-R1150 PolarHBondContact OD1-NH2 3.38Å; D1116-R1150 IonicContact OD2-CZ 2.78Å; D1116-R1150 IonicContact OD2-NH1 2.98Å; D1116-R1150 PolarHBondContact OD2-NH1 3.5Å; D1116-R1150 IonicContact OD2-NH2 3.42Å; D1116-R1150 PolarHBondContact OD2-NH2 3.42Å |
| 1117 | H | 86.8 | Confident | 82 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.3 | -29.6 | 178.3 | -63.8 | -58.1 | 0 | 0 | 0 | 113.2 | Y1062 F1095 M1098 Q1113 F1114 L1115 E1119 E1120 G1121 | Y1062-H1117 WeakPolarHBondContact CB-NE2 3.22Å; Y1062-H1117 HydrophobicContact CD1-CB 4.35Å; Y1062-H1117 AromaticContact CD1-CD2 3.29Å; Y1062-H1117 WeakPolarHBondContact CD1-CD2 3.39Å; Y1062-H1117 AromaticContact CD1-CG 3.85Å; Y1062-H1117 AromaticContact CD1-NE2 3.91Å; Y1062-H1117 AromaticContact CD2-CD2 3.8Å; Y1062-H1117 AromaticContact CD2-NE2 3.74Å; Y1062-H1117 AromaticContact CE1-CD2 3.8Å; Y1062-H1117 AromaticContact CG-CD2 3.31Å; Y1062-H1117 AromaticContact CG-NE2 3.4Å; F1095-H1117 WeakPolarHBondContact CE1-O 3.36Å; M1098-H1117 HydrophobicContact CE-CB 3.89Å; M1098-H1117 HydrophobicContact SD-CB 4.38Å; Q1113-H1117 PolarHBondContact O-CD2 3.39Å; Q1113-H1117 VanDerWaalsContact O-CD2 3.25Å; F1114-H1117 PolarHBondContact O-N 3.13Å; L1115-H1117 VanDerWaalsContact C-N 3.33Å; L1115-H1117 PolarHBondContact O-N 3.33Å; H1117-E1119 VanDerWaalsContact C-N 3.33Å; H1117-E1120 IonicContact ND1-OE2 3.85Å; H1117-E1120 PolarHBondContact ND1-OE2 3.45Å; H1117-E1120 PolarHBondContact O-N 3.09Å; H1117-G1121 PolarHBondContact O-N 2.93Å |
| 1118 | V | 87.4 | Confident | 83.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 170 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | M1098 F1114 L1115 E1120 G1121 L1122 M1135 L1139 | M1098-V1118 HydrophobicContact CE-CG2 4.19Å; F1114-V1118 HydrophobicContact CD1-CG2 3.77Å; F1114-V1118 HydrophobicContact CE1-CG2 3.61Å; F1114-V1118 WeakPolarHBondContact O-CG2 3.11Å; F1114-V1118 PolarHBondContact O-N 2.77Å; F1114-V1118 VanDerWaalsContact O-N 3.11Å; L1115-V1118 PolarHBondContact O-N 3.21Å; V1118-E1120 VanDerWaalsContact C-N 3.34Å; V1118-E1120 PolarHBondContact O-N 3.45Å; V1118-G1121 PolarHBondContact O-N 3.32Å; V1118-L1122 WeakPolarHBondContact O-CG 3.08Å; V1118-L1122 PolarHBondContact O-N 3.21Å; V1118-M1135 HydrophobicContact CG2-CE 3.94Å; V1118-L1139 HydrophobicContact CG2-CD1 4.28Å |
| 1119 | E | 87.7 | Confident | 84.3 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.6 | -165 | -162.1 | 134.7 | 0 | 0 | 112.1 | L1115 D1116 H1117 L1122 K1123 L1154 P1157 | L1115-E1119 PolarHBondContact O-N 2.62Å; D1116-E1119 WeakPolarHBondContact O-CB 3.41Å; D1116-E1119 PolarHBondContact O-N 2.93Å; H1117-E1119 VanDerWaalsContact C-N 3.33Å; E1119-L1122 PolarHBondContact O-N 3.06Å; E1119-K1123 IonicContact OE1-NZ 3.12Å; E1119-K1123 PolarHBondContact OE1-NZ 3.21Å; E1119-L1154 HydrophobicContact CB-CD2 4.21Å; E1119-L1154 HydrophobicContact CG-CD2 4.45Å; E1119-P1157 HydrophobicContact CG-CG 4.44Å |
| 1120 | E | 85.9 | Confident | 84.8 | Confident | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -43.2 | 175.1 | -69.1 | -177.6 | 152.6 | 0 | 0 | 111.7 | D1116 H1117 V1118 L1122 K1123 D1124 | D1116-E1120 PolarHBondContact O-N 3.15Å; H1117-E1120 IonicContact ND1-OE2 3.85Å; H1117-E1120 PolarHBondContact ND1-OE2 3.45Å; H1117-E1120 PolarHBondContact O-N 3.09Å; V1118-E1120 VanDerWaalsContact C-N 3.34Å; V1118-E1120 PolarHBondContact O-N 3.45Å; E1120-L1122 VanDerWaalsContact C-N 3.33Å; E1120-L1122 PolarHBondContact O-N 3.17Å; E1120-K1123 WeakPolarHBondContact O-CB 3.24Å; E1120-K1123 PolarHBondContact O-N 2.95Å; E1120-D1124 PolarHBondContact O-N 2.63Å |
| 1121 | G | 85.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -28.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1095 H1117 V1118 K1123 D1124 | F1095-G1121 VanDerWaalsContact CZ-CA 3.47Å; H1117-G1121 PolarHBondContact O-N 2.93Å; V1118-G1121 PolarHBondContact O-N 3.32Å; G1121-K1123 PolarHBondContact O-N 3.35Å; G1121-D1124 PolarHBondContact O-N 2.99Å |
| 1122 | L | 85.4 | Confident | 86 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19 | 171.7 | -66.1 | 170.8 | 0 | 0 | 0 | 112.7 | V1118 E1119 E1120 K1129 F1133 L1136 L1154 P1157 | V1118-L1122 WeakPolarHBondContact O-CG 3.08Å; V1118-L1122 PolarHBondContact O-N 3.21Å; E1119-L1122 PolarHBondContact O-N 3.06Å; E1120-L1122 VanDerWaalsContact C-N 3.33Å; E1120-L1122 PolarHBondContact O-N 3.17Å; L1122-K1129 WeakPolarHBondContact O-CE 3.24Å; L1122-F1133 HydrophobicContact CD2-CD1 3.35Å; L1122-F1133 HydrophobicContact CD2-CE1 3.4Å; L1122-L1136 HydrophobicContact CD1-CD1 4.16Å; L1122-L1154 HydrophobicContact CD1-CD2 3.99Å; L1122-P1157 HydrophobicContact CB-CB 3.67Å; L1122-P1157 HydrophobicContact CB-CG 4.32Å; L1122-P1157 HydrophobicContact CD1-CB 4.31Å |
| 1123 | K | 86.6 | Confident | 86.6 | Confident | 117 Ų | 117 | 45.6 Ų | 45.6 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -8.8 | 178.5 | -60.5 | 172.9 | -168.8 | 166 | 0 | 112.8 | E1119 E1120 G1121 P1157 | E1119-K1123 IonicContact OE1-NZ 3.12Å; E1119-K1123 PolarHBondContact OE1-NZ 3.21Å; E1120-K1123 WeakPolarHBondContact O-CB 3.24Å; E1120-K1123 PolarHBondContact O-N 2.95Å; G1121-K1123 PolarHBondContact O-N 3.35Å; K1123-P1157 HydrophobicContact CG-CB 4.23Å; K1123-P1157 HydrophobicContact CG-CG 4.16Å |
| 1124 | D | 86.7 | Confident | 87 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -83.1 | -161.4 | -172.5 | -154.9 | -16.9 | 0 | 0 | 0 | 113.3 | R1091 E1120 G1121 I1128 K1129 | R1091-D1124 IonicContact CZ-OD1 2.94Å; R1091-D1124 IonicContact CZ-OD2 3.15Å; R1091-D1124 IonicContact NE-OD1 3.83Å; R1091-D1124 IonicContact NE-OD2 3.77Å; R1091-D1124 PolarHBondContact NE-OD2 2.98Å; R1091-D1124 IonicContact NH2-OD1 2.68Å; R1091-D1124 PolarHBondContact NH2-OD1 3.35Å; R1091-D1124 IonicContact NH2-OD2 2.77Å; E1120-D1124 PolarHBondContact O-N 2.63Å; G1121-D1124 PolarHBondContact O-N 2.99Å; D1124-I1128 HydrophobicContact CB-CB 4.28Å; D1124-I1128 HydrophobicContact CB-CD1 4.45Å; D1124-I1128 HydrophobicContact CB-CG2 4.02Å; D1124-I1128 VanDerWaalsContact OD2-CD1 3.28Å; D1124-I1128 WeakPolarHBondContact OD2-CD1 3.18Å; D1124-K1129 WeakPolarHBondContact O-CD 3.42Å; D1124-K1129 WeakPolarHBondContact O-CE 3.32Å; D1124-K1129 PolarHBondContact O-NZ 3.39Å |
| 1125 | H | 86.3 | Confident | 87.2 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | trans | -59.9 | 156.1 | 177.7 | -168.9 | -99.9 | 0 | 0 | 0 | 112.8 | L1088 D1127 I1128 K1129 | L1088-H1125 HydrophobicContact CD1-CB 3.66Å; H1125-D1127 VanDerWaalsContact C-N 3.34Å; H1125-D1127 IonicContact CE1-OD2 2.73Å; H1125-D1127 PolarHBondContact CE1-OD2 3.48Å; H1125-D1127 PolarHBondContact ND1-N 3.39Å; H1125-D1127 IonicContact ND1-OD2 2.83Å; H1125-D1127 PolarHBondContact ND1-OD2 3.12Å; H1125-D1127 PolarHBondContact O-N 3.37Å; H1125-I1128 PolarHBondContact O-N 3.2Å; H1125-I1128 VanDerWaalsContact O-N 3.1Å; H1125-K1129 PolarHBondContact O-N 3.46Å | ||
| 1126 | Y | 84.6 | Confident | 87.3 | Confident | 149 Ų | 149 | 47.2 Ų | 47.2 | 58% | 0.584 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -52.8 | -45.7 | -176.2 | 177.9 | -96.5 | 0 | 0 | 0 | 113.4 | I1128 K1129 M1130 | Y1126-I1128 VanDerWaalsContact C-N 3.31Å; Y1126-I1128 PolarHBondContact O-N 2.88Å; Y1126-K1129 WeakPolarHBondContact O-CB 3.38Å; Y1126-K1129 PolarHBondContact O-N 3.05Å; Y1126-M1130 HydrophobicContact CD1-CG 4.39Å; Y1126-M1130 HydrophobicContact CE1-CG 3.99Å; Y1126-M1130 HydrophobicContact CE2-CG 4.4Å; Y1126-M1130 HydrophobicContact CE2-SD 4.28Å; Y1126-M1130 WeakPolarHBondContact O-CG 3.5Å; Y1126-M1130 PolarHBondContact O-N 3.26Å |
| 1127 | D | 84.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -35.6 | -179.2 | -60.9 | -43.2 | 0 | 0 | 0 | 113 | H1125 L1131 | H1125-D1127 VanDerWaalsContact C-N 3.34Å; H1125-D1127 IonicContact CE1-OD2 2.73Å; H1125-D1127 PolarHBondContact CE1-OD2 3.48Å; H1125-D1127 PolarHBondContact ND1-N 3.39Å; H1125-D1127 IonicContact ND1-OD2 2.83Å; H1125-D1127 PolarHBondContact ND1-OD2 3.12Å; H1125-D1127 PolarHBondContact O-N 3.37Å; D1127-L1131 PolarHBondContact O-N 3.5Å |
| 1128 | I | 89.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.9 | -37.2 | 177.4 | -67.2 | 172.7 | 0 | 0 | 0 | 110.3 | L1088 R1091 F1095 D1124 H1125 Y1126 M1130 L1131 T1132 | L1088-I1128 HydrophobicContact CD1-CD1 3.89Å; R1091-I1128 HydrophobicContact CB-CD1 3.76Å; F1095-I1128 HydrophobicContact CD1-CG2 4.45Å; F1095-I1128 HydrophobicContact CD2-CB 4.43Å; F1095-I1128 HydrophobicContact CD2-CD1 4.17Å; F1095-I1128 HydrophobicContact CD2-CG1 4.22Å; F1095-I1128 HydrophobicContact CD2-CG2 3.4Å; F1095-I1128 HydrophobicContact CE1-CG2 4.47Å; F1095-I1128 HydrophobicContact CE2-CD1 4.28Å; F1095-I1128 HydrophobicContact CE2-CG2 3.43Å; F1095-I1128 VanDerWaalsContact CE2-CG2 3.43Å; F1095-I1128 HydrophobicContact CG-CG2 3.96Å; F1095-I1128 HydrophobicContact CZ-CG2 4Å; D1124-I1128 HydrophobicContact CB-CB 4.28Å; D1124-I1128 HydrophobicContact CB-CD1 4.45Å; D1124-I1128 HydrophobicContact CB-CG2 4.02Å; D1124-I1128 VanDerWaalsContact OD2-CD1 3.28Å; D1124-I1128 WeakPolarHBondContact OD2-CD1 3.18Å; H1125-I1128 PolarHBondContact O-N 3.2Å; H1125-I1128 VanDerWaalsContact O-N 3.1Å; Y1126-I1128 VanDerWaalsContact C-N 3.31Å; Y1126-I1128 PolarHBondContact O-N 2.88Å; I1128-M1130 VanDerWaalsContact C-N 3.34Å; I1128-M1130 PolarHBondContact O-N 3.24Å; I1128-L1131 PolarHBondContact O-N 3.28Å; I1128-T1132 HydrophobicContact CG2-CG2 4.24Å; I1128-T1132 WeakPolarHBondContact O-CG2 3.38Å; I1128-T1132 PolarHBondContact O-N 3.44Å; I1128-T1132 PolarHBondContact O-OG1 3.29Å |
| 1129 | K | 88.1 | Confident | 87.1 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 173.7 | -77.1 | 172.8 | 168.1 | 149.8 | 0 | 112.2 | L1122 D1124 H1125 Y1126 L1131 T1132 F1133 | L1122-K1129 WeakPolarHBondContact O-CE 3.24Å; D1124-K1129 WeakPolarHBondContact O-CD 3.42Å; D1124-K1129 WeakPolarHBondContact O-CE 3.32Å; D1124-K1129 PolarHBondContact O-NZ 3.39Å; H1125-K1129 PolarHBondContact O-N 3.46Å; Y1126-K1129 WeakPolarHBondContact O-CB 3.38Å; Y1126-K1129 PolarHBondContact O-N 3.05Å; K1129-L1131 VanDerWaalsContact C-N 3.31Å; K1129-L1131 PolarHBondContact O-N 3.42Å; K1129-T1132 VanDerWaalsContact CA-OG1 3.29Å; K1129-T1132 WeakPolarHBondContact CA-OG1 3.34Å; K1129-T1132 PolarHBondContact O-N 2.86Å; K1129-T1132 PolarHBondContact O-OG1 3.09Å; K1129-F1133 HydrophobicContact CB-CE2 4.25Å; K1129-F1133 HydrophobicContact CB-CZ 4.28Å; K1129-F1133 VanDerWaalsContact O-CD2 3.29Å; K1129-F1133 WeakPolarHBondContact O-CD2 3.49Å; K1129-F1133 WeakPolarHBondContact O-CG 3.39Å; K1129-F1133 PolarHBondContact O-N 3.21Å |
| 1130 | M | 88.3 | Confident | 86.8 | Confident | 98 Ų | 98 | 52.6 Ų | 52.6 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 178.4 | -65.8 | -64 | -86.7 | 0 | 0 | 111.8 | Y1126 I1128 L1134 | Y1126-M1130 HydrophobicContact CD1-CG 4.39Å; Y1126-M1130 HydrophobicContact CE1-CG 3.99Å; Y1126-M1130 HydrophobicContact CE2-CG 4.4Å; Y1126-M1130 HydrophobicContact CE2-SD 4.28Å; Y1126-M1130 WeakPolarHBondContact O-CG 3.5Å; Y1126-M1130 PolarHBondContact O-N 3.26Å; I1128-M1130 VanDerWaalsContact C-N 3.34Å; I1128-M1130 PolarHBondContact O-N 3.24Å; M1130-L1134 PolarHBondContact O-N 2.95Å |
| 1131 | L | 89.6 | Confident | 86.6 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 177.4 | -173.9 | 62.6 | 0 | 0 | 0 | 112.2 | F1095 E1096 Y1099 D1127 I1128 K1129 L1134 M1135 | F1095-L1131 HydrophobicContact CB-CD2 3.64Å; E1096-L1131 HydrophobicContact CB-CD2 4.38Å; E1096-L1131 HydrophobicContact CG-CD2 3.7Å; Y1099-L1131 HydrophobicContact CG-CD1 4.21Å; D1127-L1131 PolarHBondContact O-N 3.5Å; I1128-L1131 PolarHBondContact O-N 3.28Å; K1129-L1131 VanDerWaalsContact C-N 3.31Å; K1129-L1131 PolarHBondContact O-N 3.42Å; L1131-L1134 WeakPolarHBondContact O-CB 3.26Å; L1131-L1134 PolarHBondContact O-N 3.02Å; L1131-M1135 HydrophobicContact CG-SD 4.4Å; L1131-M1135 WeakPolarHBondContact O-CG 3.47Å; L1131-M1135 PolarHBondContact O-N 3.46Å |
| 1132 | T | 89.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -32.2 | 178.9 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | F1095 I1128 K1129 L1134 M1135 L1136 | F1095-T1132 HydrophobicContact CD1-CG2 3.76Å; F1095-T1132 HydrophobicContact CE1-CG2 3.82Å; F1095-T1132 HydrophobicContact CG-CG2 4.49Å; I1128-T1132 HydrophobicContact CG2-CG2 4.24Å; I1128-T1132 WeakPolarHBondContact O-CG2 3.38Å; I1128-T1132 PolarHBondContact O-N 3.44Å; I1128-T1132 PolarHBondContact O-OG1 3.29Å; K1129-T1132 VanDerWaalsContact CA-OG1 3.29Å; K1129-T1132 WeakPolarHBondContact CA-OG1 3.34Å; K1129-T1132 PolarHBondContact O-N 2.86Å; K1129-T1132 PolarHBondContact O-OG1 3.09Å; T1132-L1134 VanDerWaalsContact C-N 3.32Å; T1132-M1135 HydrophobicContact CG2-SD 4.17Å; T1132-M1135 WeakPolarHBondContact O-CB 3.37Å; T1132-M1135 PolarHBondContact O-N 3.47Å; T1132-L1136 WeakPolarHBondContact O-CB 3.45Å; T1132-L1136 PolarHBondContact O-N 3.22Å |
| 1133 | F | 89.5 | Confident | 85.8 | Confident | 60 Ų | 60 | 58 Ų | 58 | 26% | 0.263 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 169.3 | -65.2 | -27.2 | 0 | 0 | 0 | 111.6 | L1122 K1129 L1136 A1137 L1158 T1161 | L1122-F1133 HydrophobicContact CD2-CD1 3.35Å; L1122-F1133 HydrophobicContact CD2-CE1 3.4Å; K1129-F1133 HydrophobicContact CB-CE2 4.25Å; K1129-F1133 HydrophobicContact CB-CZ 4.28Å; K1129-F1133 VanDerWaalsContact O-CD2 3.29Å; K1129-F1133 WeakPolarHBondContact O-CD2 3.49Å; K1129-F1133 WeakPolarHBondContact O-CG 3.39Å; K1129-F1133 PolarHBondContact O-N 3.21Å; F1133-L1136 PolarHBondContact O-N 3.37Å; F1133-A1137 PolarHBondContact O-N 3.39Å; F1133-L1158 HydrophobicContact CD1-CD2 3.65Å; F1133-L1158 HydrophobicContact CE1-CD2 3.33Å; F1133-L1158 HydrophobicContact CZ-CD2 4.21Å; F1133-T1161 HydrophobicContact CZ-CG2 4.13Å |
| 1134 | L | 90 | Very high | 85.2 | Confident | 87 Ų | 87 | 56.1 Ų | 56.1 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.4 | -173.3 | 66.4 | 0 | 0 | 0 | 111.7 | Y1099 M1130 L1131 T1132 L1136 A1137 R1138 | Y1099-L1134 HydrophobicContact CE2-CD2 3.74Å; Y1099-L1134 HydrophobicContact CE2-CG 3.75Å; M1130-L1134 PolarHBondContact O-N 2.95Å; L1131-L1134 WeakPolarHBondContact O-CB 3.26Å; L1131-L1134 PolarHBondContact O-N 3.02Å; T1132-L1134 VanDerWaalsContact C-N 3.32Å; L1134-L1136 VanDerWaalsContact C-N 3.33Å; L1134-L1136 PolarHBondContact O-N 3.04Å; L1134-A1137 PolarHBondContact O-N 3.34Å; L1134-R1138 PolarHBondContact O-N 3.16Å |
| 1135 | M | 88.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 173.4 | -69.7 | 168.8 | 76.1 | 0 | 0 | 111.6 | F1095 M1098 Y1099 L1102 F1114 V1118 L1131 T1132 R1138 L1139 | F1095-M1135 HydrophobicContact CD1-SD 4.33Å; M1098-M1135 HydrophobicContact CB-CE 3.45Å; M1098-M1135 VanDerWaalsContact CB-CE 3.45Å; M1098-M1135 HydrophobicContact CE-CE 4.01Å; Y1099-M1135 HydrophobicContact CD2-CG 3.58Å; Y1099-M1135 HydrophobicContact CG-CG 4.26Å; L1102-M1135 HydrophobicContact CD1-CB 4.29Å; L1102-M1135 HydrophobicContact CD1-CE 4.08Å; L1102-M1135 HydrophobicContact CD1-CG 4.22Å; F1114-M1135 HydrophobicContact CE1-CE 3.6Å; F1114-M1135 HydrophobicContact CZ-CE 3.39Å; V1118-M1135 HydrophobicContact CG2-CE 3.94Å; L1131-M1135 HydrophobicContact CG-SD 4.4Å; L1131-M1135 WeakPolarHBondContact O-CG 3.47Å; L1131-M1135 PolarHBondContact O-N 3.46Å; T1132-M1135 HydrophobicContact CG2-SD 4.17Å; T1132-M1135 WeakPolarHBondContact O-CB 3.37Å; T1132-M1135 PolarHBondContact O-N 3.47Å; M1135-R1138 PolarHBondContact O-N 3.44Å; M1135-L1139 WeakPolarHBondContact O-CB 3.27Å; M1135-L1139 WeakPolarHBondContact O-CG 3.38Å; M1135-L1139 PolarHBondContact O-N 2.76Å |
| 1136 | L | 87.6 | Confident | 83.5 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 178.9 | -168.6 | 154.7 | 0 | 0 | 0 | 111.1 | L1122 T1132 F1133 L1134 R1138 L1139 V1140 L1154 L1158 | L1122-L1136 HydrophobicContact CD1-CD1 4.16Å; T1132-L1136 WeakPolarHBondContact O-CB 3.45Å; T1132-L1136 PolarHBondContact O-N 3.22Å; F1133-L1136 PolarHBondContact O-N 3.37Å; L1134-L1136 VanDerWaalsContact C-N 3.33Å; L1134-L1136 PolarHBondContact O-N 3.04Å; L1136-R1138 PolarHBondContact O-N 3.46Å; L1136-L1139 PolarHBondContact O-N 2.92Å; L1136-V1140 HydrophobicContact CD2-CG2 4.01Å; L1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; L1136-V1140 PolarHBondContact O-N 3.22Å; L1136-L1154 HydrophobicContact CD1-CB 4.22Å; L1136-L1154 HydrophobicContact CD1-CD1 4.12Å; L1136-L1154 HydrophobicContact CD1-CD2 4.45Å; L1136-L1158 HydrophobicContact CD1-CD1 4.37Å |
| 1137 | A | 86.3 | Confident | 83.2 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.1 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1133 L1134 | F1133-A1137 PolarHBondContact O-N 3.39Å; L1134-A1137 PolarHBondContact O-N 3.34Å |
| 1138 | R | 84.5 | Confident | 82.7 | Confident | 82 Ų | 82 | 49.2 Ų | 49.2 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72 | -41.9 | 176.9 | -159 | 166.7 | -161.8 | 167.2 | -6.9 | 112.8 | Y1099 D1103 L1134 M1135 L1136 V1140 S1141 L1142 | Y1099-R1138 PolarHBondContact OH-NH1 2.95Å; D1103-R1138 IonicContact OD1-CZ 3.94Å; D1103-R1138 IonicContact OD1-NE 3.62Å; D1103-R1138 PolarHBondContact OD1-NE 3.43Å; D1103-R1138 VanDerWaalsContact OD1-NE 3.09Å; D1103-R1138 IonicContact OD1-NH1 2.77Å; D1103-R1138 PolarHBondContact OD1-NH1 3.01Å; D1103-R1138 IonicContact OD1-NH2 2.88Å; D1103-R1138 PolarHBondContact OD1-NH2 3.03Å; D1103-R1138 IonicContact OD2-CZ 3.94Å; D1103-R1138 IonicContact OD2-NH1 3.98Å; D1103-R1138 PolarHBondContact OD2-NH1 2.7Å; D1103-R1138 IonicContact OD2-NH2 2.62Å; D1103-R1138 PolarHBondContact OD2-NH2 3.39Å; L1134-R1138 PolarHBondContact O-N 3.16Å; M1135-R1138 PolarHBondContact O-N 3.44Å; L1136-R1138 PolarHBondContact O-N 3.46Å; R1138-V1140 VanDerWaalsContact C-N 3.28Å; R1138-V1140 PolarHBondContact O-N 3.29Å; R1138-S1141 WeakPolarHBondContact O-CB 3.47Å; R1138-S1141 PolarHBondContact O-N 2.87Å; R1138-S1141 VanDerWaalsContact O-N 3.1Å; R1138-L1142 HydrophobicContact CG-CD1 3.89Å; R1138-L1142 HydrophobicContact CG-CG 4.37Å; R1138-L1142 WeakPolarHBondContact O-CG 3.41Å; R1138-L1142 PolarHBondContact O-N 2.74Å |
| 1139 | L | 84.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 175.5 | -84.9 | 169.3 | 0 | 0 | 0 | 112.7 | L1102 F1114 L1115 V1118 M1135 L1136 S1141 L1142 C1143 V1147 | L1102-L1139 HydrophobicContact CD2-CD2 3.36Å; L1102-L1139 HydrophobicContact CD2-CG 3.67Å; F1114-L1139 HydrophobicContact CD1-CD1 4.18Å; F1114-L1139 HydrophobicContact CE1-CD1 4.02Å; L1115-L1139 HydrophobicContact CD1-CD1 4.07Å; L1115-L1139 HydrophobicContact CD1-CD2 4.28Å; V1118-L1139 HydrophobicContact CG2-CD1 4.28Å; M1135-L1139 WeakPolarHBondContact O-CB 3.27Å; M1135-L1139 WeakPolarHBondContact O-CG 3.38Å; M1135-L1139 PolarHBondContact O-N 2.76Å; L1136-L1139 PolarHBondContact O-N 2.92Å; L1139-S1141 VanDerWaalsContact C-N 3.28Å; L1139-S1141 PolarHBondContact O-N 2.94Å; L1139-L1142 PolarHBondContact O-N 2.76Å; L1139-C1143 CarbonylContact O-C 3.59Å; L1139-C1143 VanDerWaalsContact O-C 3.31Å; L1139-C1143 WeakPolarHBondContact O-CA 3.4Å; L1139-C1143 PolarHBondContact O-N 3.36Å; L1139-V1147 HydrophobicContact CB-CG2 3.86Å |
| 1140 | V | 82.8 | Confident | 81.3 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 44% | 0.436 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L1136 R1138 P1144 V1147 | L1136-V1140 HydrophobicContact CD2-CG2 4.01Å; L1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; L1136-V1140 PolarHBondContact O-N 3.22Å; R1138-V1140 VanDerWaalsContact C-N 3.28Å; R1138-V1140 PolarHBondContact O-N 3.29Å; V1140-P1144 WeakPolarHBondContact O-CB 3.11Å; V1140-P1144 WeakPolarHBondContact O-CD 3.46Å; V1140-V1147 HydrophobicContact CG2-CG1 3.98Å |
| 1141 | S | 81 | Confident | 80.8 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 70% | 0.699 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -74.3 | -44.3 | 176.1 | -175 | 0 | 0 | 0 | 0 | 112.4 | R1138 L1139 | R1138-S1141 WeakPolarHBondContact O-CB 3.47Å; R1138-S1141 PolarHBondContact O-N 2.87Å; R1138-S1141 VanDerWaalsContact O-N 3.1Å; L1139-S1141 VanDerWaalsContact C-N 3.28Å; L1139-S1141 PolarHBondContact O-N 2.94Å |
| 1142 | L | 78.4 | Confident | 80.2 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -79 | -40.5 | -174 | -67.1 | 173.9 | 0 | 0 | 0 | 113.7 | L1102 L1106 R1138 L1139 | L1102-L1142 HydrophobicContact CB-CD1 4.35Å; L1102-L1142 HydrophobicContact CD2-CD1 4.14Å; L1106-L1142 HydrophobicContact CD2-CB 4.29Å; R1138-L1142 HydrophobicContact CG-CD1 3.89Å; R1138-L1142 HydrophobicContact CG-CG 4.37Å; R1138-L1142 WeakPolarHBondContact O-CG 3.41Å; R1138-L1142 PolarHBondContact O-N 2.74Å; L1139-L1142 PolarHBondContact O-N 2.76Å |
| 1143 | C | 75.8 | Confident | 79.8 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | trans | -141 | 60 | -171.8 | -72.6 | 0 | 0 | 0 | 0 | 112 | V1111 L1139 A1145 A1146 V1147 | V1111-C1143 HydrophobicContact CG1-CB 4.29Å; L1139-C1143 CarbonylContact O-C 3.59Å; L1139-C1143 VanDerWaalsContact O-C 3.31Å; L1139-C1143 WeakPolarHBondContact O-CA 3.4Å; L1139-C1143 PolarHBondContact O-N 3.36Å; C1143-A1145 VanDerWaalsContact C-N 3.27Å; C1143-A1145 PolarHBondContact O-N 3.32Å; C1143-A1146 PolarHBondContact O-N 3.41Å; C1143-V1147 PolarHBondContact O-N 3.14Å | ||
| 1144 | P | 73.9 | Confident | 79.5 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 49% | 0.494 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.5 | -35.7 | -174.7 | 19.9 | -31.2 | 0 | 0 | 0 | 113.4 | V1140 V1147 L1148 | V1140-P1144 WeakPolarHBondContact O-CB 3.11Å; V1140-P1144 WeakPolarHBondContact O-CD 3.46Å; P1144-V1147 PolarHBondContact O-N 2.91Å; P1144-L1148 WeakPolarHBondContact O-CB 3.27Å; P1144-L1148 PolarHBondContact O-N 3.44Å |
| 1145 | A | 67.6 | Low | 79.3 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1143 L1148 Q1149 | C1143-A1145 VanDerWaalsContact C-N 3.27Å; C1143-A1145 PolarHBondContact O-N 3.32Å; A1145-L1148 PolarHBondContact O-N 3.34Å; A1145-Q1149 WeakPolarHBondContact O-CG 3.39Å; A1145-Q1149 PolarHBondContact O-N 3.45Å |
| 1146 | A | 69.3 | Low | 79.2 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.3 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1111 C1143 Q1149 | V1111-A1146 HydrophobicContact CB-CB 4.44Å; V1111-A1146 HydrophobicContact CG1-CB 3.55Å; C1143-A1146 PolarHBondContact O-N 3.41Å; A1146-Q1149 PolarHBondContact O-N 3.16Å |
| 1147 | V | 79.3 | Confident | 79 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 111 | L1115 L1139 V1140 C1143 P1144 Q1149 R1150 L1151 L1154 | L1115-V1147 HydrophobicContact CD2-CG2 4.4Å; L1139-V1147 HydrophobicContact CB-CG2 3.86Å; V1140-V1147 HydrophobicContact CG2-CG1 3.98Å; C1143-V1147 PolarHBondContact O-N 3.14Å; P1144-V1147 PolarHBondContact O-N 2.91Å; V1147-Q1149 VanDerWaalsContact C-N 3.28Å; V1147-Q1149 PolarHBondContact O-N 3.3Å; V1147-R1150 CarbonylContact O-C 3.49Å; V1147-R1150 PolarHBondContact O-N 3.33Å; V1147-R1150 VanDerWaalsContact O-N 3.07Å; V1147-L1151 PolarHBondContact O-N 3.49Å; V1147-L1154 HydrophobicContact CG1-CD1 4.07Å |
| 1148 | L | 72.9 | Confident | 79 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 63% | 0.628 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -37.6 | 179.5 | -165.9 | 150.2 | 0 | 0 | 0 | 111.9 | P1144 A1145 R1150 L1151 | P1144-L1148 WeakPolarHBondContact O-CB 3.27Å; P1144-L1148 PolarHBondContact O-N 3.44Å; A1145-L1148 PolarHBondContact O-N 3.34Å; L1148-R1150 PolarHBondContact O-N 2.91Å; L1148-L1151 PolarHBondContact O-N 3.42Å |
| 1149 | Q | 74 | Confident | 79.1 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -27.3 | 176 | -71.6 | 177.5 | -3.1 | 0 | 0 | 113.9 | A1145 A1146 V1147 | A1145-Q1149 WeakPolarHBondContact O-CG 3.39Å; A1145-Q1149 PolarHBondContact O-N 3.45Å; A1146-Q1149 PolarHBondContact O-N 3.16Å; V1147-Q1149 VanDerWaalsContact C-N 3.28Å; V1147-Q1149 PolarHBondContact O-N 3.3Å |
| 1150 | R | 73.8 | Confident | 79.1 | Confident | 46 Ų | 46 | 73 Ų | 73 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 13.6 | -177 | -68.1 | -170.6 | 171.9 | -170.5 | -0.9 | 113.7 | L1112 L1115 D1116 V1147 L1148 D1152 R1153 L1154 | L1112-R1150 VanDerWaalsContact O-CZ 3.27Å; L1112-R1150 PolarHBondContact O-NH1 3.14Å; L1112-R1150 PolarHBondContact O-NH2 3.1Å; L1115-R1150 HydrophobicContact CD2-CB 4.11Å; D1116-R1150 IonicContact OD1-CZ 3.98Å; D1116-R1150 VanDerWaalsContact OD1-CZ 3.22Å; D1116-R1150 IonicContact OD1-NH1 2.74Å; D1116-R1150 PolarHBondContact OD1-NH1 3.3Å; D1116-R1150 IonicContact OD1-NH2 3.69Å; D1116-R1150 PolarHBondContact OD1-NH2 3.38Å; D1116-R1150 IonicContact OD2-CZ 2.78Å; D1116-R1150 IonicContact OD2-NH1 2.98Å; D1116-R1150 PolarHBondContact OD2-NH1 3.5Å; D1116-R1150 IonicContact OD2-NH2 3.42Å; D1116-R1150 PolarHBondContact OD2-NH2 3.42Å; V1147-R1150 CarbonylContact O-C 3.49Å; V1147-R1150 PolarHBondContact O-N 3.33Å; V1147-R1150 VanDerWaalsContact O-N 3.07Å; L1148-R1150 PolarHBondContact O-N 2.91Å; R1150-D1152 VanDerWaalsContact C-N 3.31Å; R1150-D1152 PolarHBondContact O-N 3Å; R1150-R1153 PolarHBondContact O-N 3.11Å; R1150-R1153 VanDerWaalsContact O-N 3.13Å; R1150-L1154 PolarHBondContact O-N 3.49Å |
| 1151 | L | 78.4 | Confident | 79.1 | Confident | 86 Ų | 86 | 71.9 Ų | 71.9 | 45% | 0.45 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.4 | -45.1 | -173.4 | -173.4 | 66.6 | 0 | 0 | 0 | 112.1 | V1147 L1148 R1153 L1154 V1155 | V1147-L1151 PolarHBondContact O-N 3.49Å; L1148-L1151 PolarHBondContact O-N 3.42Å; L1151-R1153 VanDerWaalsContact C-N 3.28Å; L1151-R1153 PolarHBondContact O-N 3.45Å; L1151-L1154 PolarHBondContact O-N 3.25Å; L1151-L1154 VanDerWaalsContact O-N 3.12Å; L1151-V1155 HydrophobicContact CD1-CG2 4.2Å; L1151-V1155 HydrophobicContact CG-CG2 4.14Å; L1151-V1155 WeakPolarHBondContact O-CG2 3.5Å; L1151-V1155 PolarHBondContact O-N 3.48Å |
| 1152 | D | 77.3 | Confident | 79.2 | Confident | 146 Ų | 146 | 72.6 Ų | 72.6 | 78% | 0.781 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.6 | -38.2 | -178.2 | -66 | -36.4 | 0 | 0 | 0 | 112.7 | R1150 | R1150-D1152 VanDerWaalsContact C-N 3.31Å; R1150-D1152 PolarHBondContact O-N 3Å |
| 1153 | R | 80.5 | Confident | 79.5 | Confident | 143 Ų | 143 | 73.4 Ų | 73.4 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.7 | -35.8 | 177.5 | -65.2 | -171.1 | -179.7 | -176.4 | 0.4 | 112.5 | R1150 L1151 P1157 | R1150-R1153 PolarHBondContact O-N 3.11Å; R1150-R1153 VanDerWaalsContact O-N 3.13Å; L1151-R1153 VanDerWaalsContact C-N 3.28Å; L1151-R1153 PolarHBondContact O-N 3.45Å; R1153-P1157 WeakPolarHBondContact O-CD 3.26Å |
| 1154 | L | 84.2 | Confident | 79.7 | Confident | 6 Ų | 6 | 77.1 Ų | 77.1 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -74.8 | -29.7 | 178.4 | -63.1 | 173.8 | 0 | 0 | 0 | 112.3 | L1115 E1119 L1122 L1136 V1147 R1150 L1151 P1157 L1158 | L1115-L1154 HydrophobicContact CD2-CD1 4.25Å; E1119-L1154 HydrophobicContact CB-CD2 4.21Å; E1119-L1154 HydrophobicContact CG-CD2 4.45Å; L1122-L1154 HydrophobicContact CD1-CD2 3.99Å; L1136-L1154 HydrophobicContact CD1-CB 4.22Å; L1136-L1154 HydrophobicContact CD1-CD1 4.12Å; L1136-L1154 HydrophobicContact CD1-CD2 4.45Å; V1147-L1154 HydrophobicContact CG1-CD1 4.07Å; R1150-L1154 PolarHBondContact O-N 3.49Å; L1151-L1154 PolarHBondContact O-N 3.25Å; L1151-L1154 VanDerWaalsContact O-N 3.12Å; L1154-P1157 WeakPolarHBondContact O-CD 3.42Å; L1154-L1158 WeakPolarHBondContact O-CD1 3.4Å; L1154-L1158 WeakPolarHBondContact O-CG 3.19Å |
| 1155 | V | 85.2 | Confident | 79.5 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -71 | -31.9 | 179.9 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | L1151 L1158 K1159 | L1151-V1155 HydrophobicContact CD1-CG2 4.2Å; L1151-V1155 HydrophobicContact CG-CG2 4.14Å; L1151-V1155 WeakPolarHBondContact O-CG2 3.5Å; L1151-V1155 PolarHBondContact O-N 3.48Å; V1155-L1158 PolarHBondContact O-N 3.13Å; V1155-K1159 VanDerWaalsContact O-CB 3.32Å; V1155-K1159 WeakPolarHBondContact O-CB 3.41Å; V1155-K1159 PolarHBondContact O-N 3.14Å |
| 1156 | E | 85.9 | Confident | 79.3 | Confident | 136 Ų | 136 | 87 Ų | 87 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.4 | -51.3 | 179.6 | 175.1 | 179.1 | -159.2 | 0 | 0 | 112.9 | L1158 K1159 A1160 | E1156-L1158 VanDerWaalsContact C-N 3.34Å; E1156-L1158 PolarHBondContact O-N 3.34Å; E1156-K1159 PolarHBondContact O-N 3.01Å; E1156-A1160 PolarHBondContact O-N 3.38Å |
| 1157 | P | 84.8 | Confident | 78.4 | Confident | 6 Ų | 6 | 93 Ų | 93 | 4% | 0.039 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 172.2 | -25.6 | 33.6 | 0 | 0 | 0 | 114.4 | E1119 L1122 K1123 R1153 L1154 A1160 T1161 | E1119-P1157 HydrophobicContact CG-CG 4.44Å; L1122-P1157 HydrophobicContact CB-CB 3.67Å; L1122-P1157 HydrophobicContact CB-CG 4.32Å; L1122-P1157 HydrophobicContact CD1-CB 4.31Å; K1123-P1157 HydrophobicContact CG-CB 4.23Å; K1123-P1157 HydrophobicContact CG-CG 4.16Å; R1153-P1157 WeakPolarHBondContact O-CD 3.26Å; L1154-P1157 WeakPolarHBondContact O-CD 3.42Å; P1157-A1160 WeakPolarHBondContact O-CB 3.17Å; P1157-A1160 PolarHBondContact O-N 2.89Å; P1157-T1161 PolarHBondContact O-N 3.46Å; P1157-T1161 PolarHBondContact O-OG1 3.39Å |
| 1158 | L | 85.9 | Confident | 76.9 | Confident | 55 Ų | 55 | 102 Ų | 102 | 29% | 0.288 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.5 | -72.3 | 168.8 | 0 | 0 | 0 | 110.8 | F1133 L1136 L1154 V1155 E1156 A1160 T1161 C1162 | F1133-L1158 HydrophobicContact CD1-CD2 3.65Å; F1133-L1158 HydrophobicContact CE1-CD2 3.33Å; F1133-L1158 HydrophobicContact CZ-CD2 4.21Å; L1136-L1158 HydrophobicContact CD1-CD1 4.37Å; L1154-L1158 WeakPolarHBondContact O-CD1 3.4Å; L1154-L1158 WeakPolarHBondContact O-CG 3.19Å; V1155-L1158 PolarHBondContact O-N 3.13Å; E1156-L1158 VanDerWaalsContact C-N 3.34Å; E1156-L1158 PolarHBondContact O-N 3.34Å; L1158-A1160 VanDerWaalsContact C-N 3.34Å; L1158-A1160 PolarHBondContact O-N 3.4Å; L1158-T1161 PolarHBondContact O-N 3.35Å; L1158-C1162 PolarHBondContact O-N 3.32Å; L1158-C1162 PolarHBondContact O-SG 3.03Å; L1158-C1162 VanDerWaalsContact O-SG 3.35Å |
| 1159 | K | 85.6 | Confident | 75.4 | Confident | 144 Ų | 144 | 105.5 Ų | 105.5 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 175.3 | -173.6 | 178.5 | -178.7 | -179.4 | 0 | 111.1 | V1155 E1156 T1161 C1162 T1163 | V1155-K1159 VanDerWaalsContact O-CB 3.32Å; V1155-K1159 WeakPolarHBondContact O-CB 3.41Å; V1155-K1159 PolarHBondContact O-N 3.14Å; E1156-K1159 PolarHBondContact O-N 3.01Å; K1159-T1161 VanDerWaalsContact C-N 3.28Å; K1159-T1161 PolarHBondContact O-N 3.36Å; K1159-C1162 PolarHBondContact O-N 3.45Å; K1159-C1162 VanDerWaalsContact O-N 3.16Å; K1159-T1163 HydrophobicContact CG-CG2 4.32Å; K1159-T1163 WeakPolarHBondContact O-CG2 3.1Å; K1159-T1163 PolarHBondContact O-N 3.11Å; K1159-T1163 PolarHBondContact O-OG1 3.35Å |
| 1160 | A | 84.3 | Confident | 73.7 | Confident | 50 Ų | 50 | 107.6 Ų | 107.6 | 41% | 0.413 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -54.6 | -47 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1156 P1157 L1158 C1162 T1163 T1164 | E1156-A1160 PolarHBondContact O-N 3.38Å; P1157-A1160 WeakPolarHBondContact O-CB 3.17Å; P1157-A1160 PolarHBondContact O-N 2.89Å; L1158-A1160 VanDerWaalsContact C-N 3.34Å; L1158-A1160 PolarHBondContact O-N 3.4Å; A1160-C1162 PolarHBondContact O-N 3.16Å; A1160-T1163 WeakPolarHBondContact CA-OG1 3.25Å; A1160-T1163 PolarHBondContact O-N 2.85Å; A1160-T1163 VanDerWaalsContact O-N 3.11Å; A1160-T1163 PolarHBondContact O-OG1 3.09Å; A1160-T1164 PolarHBondContact O-N 2.79Å; A1160-T1164 PolarHBondContact O-OG1 3.21Å; A1160-T1164 VanDerWaalsContact O-OG1 3.07Å |
| 1161 | T | 84 | Confident | 71.9 | Confident | 49 Ų | 49 | 113 Ų | 113 | 30% | 0.301 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.8 | -41.2 | 177.9 | -53 | 0 | 0 | 0 | 0 | 112.5 | F1133 P1157 L1158 K1159 T1163 T1164 | F1133-T1161 HydrophobicContact CZ-CG2 4.13Å; P1157-T1161 PolarHBondContact O-N 3.46Å; P1157-T1161 PolarHBondContact O-OG1 3.39Å; L1158-T1161 PolarHBondContact O-N 3.35Å; K1159-T1161 VanDerWaalsContact C-N 3.28Å; K1159-T1161 PolarHBondContact O-N 3.36Å; T1161-T1163 VanDerWaalsContact C-N 3.3Å; T1161-T1163 PolarHBondContact O-N 2.97Å; T1161-T1164 VanDerWaalsContact C-OG1 3.3Å; T1161-T1164 WeakPolarHBondContact CA-OG1 3.48Å; T1161-T1164 PolarHBondContact O-OG1 3.24Å |
| 1162 | C | 83.1 | Confident | 70 | Confident | 115 Ų | 115 | 114.8 Ų | 114.8 | 78% | 0.777 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.1 | -27.9 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | L1158 K1159 A1160 | L1158-C1162 PolarHBondContact O-N 3.32Å; L1158-C1162 PolarHBondContact O-SG 3.03Å; L1158-C1162 VanDerWaalsContact O-SG 3.35Å; K1159-C1162 PolarHBondContact O-N 3.45Å; K1159-C1162 VanDerWaalsContact O-N 3.16Å; A1160-C1162 PolarHBondContact O-N 3.16Å |
| 1163 | T | 83.4 | Confident | 68.3 | Low | 89 Ų | 89 | 112.8 Ų | 112.8 | 55% | 0.546 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -89.8 | -14.9 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | K1159 A1160 T1161 K1165 | K1159-T1163 HydrophobicContact CG-CG2 4.32Å; K1159-T1163 WeakPolarHBondContact O-CG2 3.1Å; K1159-T1163 PolarHBondContact O-N 3.11Å; K1159-T1163 PolarHBondContact O-OG1 3.35Å; A1160-T1163 WeakPolarHBondContact CA-OG1 3.25Å; A1160-T1163 PolarHBondContact O-N 2.85Å; A1160-T1163 VanDerWaalsContact O-N 3.11Å; A1160-T1163 PolarHBondContact O-OG1 3.09Å; T1161-T1163 VanDerWaalsContact C-N 3.3Å; T1161-T1163 PolarHBondContact O-N 2.97Å; T1163-K1165 PolarHBondContact O-N 3.03Å; T1163-K1165 VanDerWaalsContact O-N 3.1Å |
| 1164 | T | 79.7 | Confident | 66.2 | Low | 105 Ų | 105 | 112 Ų | 112 | 64% | 0.644 | 58% | 0.575 | S | S | * | * | trans | -60.1 | 113.6 | 178.3 | 6.7 | 0 | 0 | 0 | 0 | 110.7 | A1160 T1161 | A1160-T1164 PolarHBondContact O-N 2.79Å; A1160-T1164 PolarHBondContact O-OG1 3.21Å; A1160-T1164 VanDerWaalsContact O-OG1 3.07Å; T1161-T1164 VanDerWaalsContact C-OG1 3.3Å; T1161-T1164 WeakPolarHBondContact CA-OG1 3.48Å; T1161-T1164 PolarHBondContact O-OG1 3.24Å | ||
| 1165 | K | 70.3 | Confident | 63.8 | Low | 197 Ų | 197 | 120.3 Ų | 120.3 | 86% | 0.857 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 125.6 | 173.2 | -64.2 | -178.3 | -178 | 178.9 | 0 | 108.7 | T1163 | T1163-K1165 PolarHBondContact O-N 3.03Å; T1163-K1165 VanDerWaalsContact O-N 3.1Å |
| 1166 | V | 62.9 | Low | 61.3 | Low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.3 | 170 | -172.9 | 0 | 0 | 0 | 0 | 108 | K1168 | V1166-K1168 PolarHBondContact O-N 3.41Š|
| 1167 | L | 50.2 | Low | 60.1 | Low | 145 Ų | 145 | 126.6 Ų | 126.6 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.2 | 173.8 | -78 | 161.9 | 0 | 0 | 0 | 109 | Y1169 | L1167-Y1169 PolarHBondContact O-N 3.27Š|
| 1168 | K | 48.3 | Very low | 58.8 | Low | 193 Ų | 193 | 132.9 Ų | 132.9 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -58.3 | 4.4 | -179.4 | -101.9 | -174.6 | 174.1 | -172.2 | 0 | 116.1 | V1166 | V1166-K1168 PolarHBondContact O-N 3.41Š|
| 1169 | Y | 42.4 | Very low | 57.3 | Low | 195 Ų | 195 | 137.3 Ų | 137.3 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -86.3 | -0.6 | -179.1 | -90.7 | -83.9 | 0 | 0 | 0 | 114.4 | L1167 | L1167-Y1169 PolarHBondContact O-N 3.27Š|
| 1170 | F | 38.3 | Very low | 55.6 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -82.8 | -6.4 | -179.6 | -109.4 | -85.9 | 0 | 0 | 0 | 115.1 | ||
| 1171 | E | 35.3 | Very low | 53.8 | Low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -84.3 | -4.1 | -178.6 | -84.8 | 179.4 | 160.1 | 0 | 0 | 114.9 | ||
| 1172 | I | 37.8 | Very low | 51.8 | Low | 122 Ų | 122 | 148.5 Ų | 148.5 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -100.6 | -8.3 | -173.8 | -60.8 | 177.9 | 0 | 0 | 0 | 113.7 | ||
| 1173 | I | 42.1 | Very low | 49.6 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 53% | 0.533 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -110.8 | 3.1 | -174 | -56.2 | 178.7 | 0 | 0 | 0 | 113.6 | F1080 | F1080-I1173 HydrophobicContact CE1-CD1 3.96Å; F1080-I1173 HydrophobicContact CE2-CD1 4.13Å; F1080-I1173 HydrophobicContact CZ-CD1 3.32Å |
| 1174 | T | 36.7 | Very low | 47 | Very low | 127 Ų | 127 | 155.7 Ų | 155.7 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -95.3 | 8.3 | 168.9 | 39.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1175 | E | 34.3 | Very low | 44.2 | Very low | 181 Ų | 181 | 159.9 Ų | 159.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -122.8 | 16.3 | 175.8 | -89.3 | -168.3 | 161.7 | 0 | 0 | 115 | ||||
| 1176 | I | 32 | Very low | 41.9 | Very low | 209 Ų | 209 | 156.5 Ų | 156.5 | 100% | 1.072 | 77% | 0.766 | S | S | * | * | trans | -128 | 0 | 164.2 | -53.9 | 177.4 | 0 | 0 | 0 | 107.9 |
Retrieved 1,176 of 1,176 residues in 1292.1 ms
(Link to these results)