| 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 | 39.1 | Very low | 56.6 | Low | 192 Ų | 192 | 86 Ų | 86 | 95% | 0.946 | 49% | 0.489 | S | S | * | . | 0 | -75.3 | 0 | -74.9 | -173.2 | 163.9 | 0 | 0 | 111.5 | S3 Q4 | M1-S3 PolarHBondContact O-N 3.49Å; M1-Q4 PolarHBondContact O-N 3.26Å | |||
| 2 | S | 35.7 | Very low | 58.2 | Low | 107 Ų | 107 | 85.3 Ų | 85.3 | 75% | 0.748 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.7 | -18.4 | -178.5 | 44.9 | 0 | 0 | 0 | 0 | 116.2 | S5 | S2-S5 PolarHBondContact O-OG 3.19Å; S2-S5 VanDerWaalsContact O-OG 3.11Å |
| 3 | S | 42 | Very low | 59.4 | Low | 76 Ų | 76 | 81.2 Ų | 81.2 | 53% | 0.531 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -84.2 | -17.3 | 172.5 | 50.4 | 0 | 0 | 0 | 0 | 115 | M1 S6 | M1-S3 PolarHBondContact O-N 3.49Å; S3-S6 PolarHBondContact O-OG 2.74Å; S3-S6 VanDerWaalsContact O-OG 3.09Å |
| 4 | Q | 44.8 | Very low | 60.6 | Low | 124 Ų | 124 | 75.4 Ų | 75.4 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -88.6 | -34.4 | 180 | -75.1 | 167.2 | -54.2 | 0 | 0 | 111.7 | M1 L7 N8 | M1-Q4 PolarHBondContact O-N 3.26Å; Q4-L7 PolarHBondContact O-N 3.36Å; Q4-N8 PolarHBondContact O-N 3.01Å |
| 5 | S | 48.9 | Very low | 61.8 | Low | 59 Ų | 59 | 78 Ų | 78 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.2 | -50.7 | 171.9 | 45.1 | 0 | 0 | 0 | 0 | 111 | S2 L7 N8 D9 | S2-S5 PolarHBondContact O-OG 3.19Å; S2-S5 VanDerWaalsContact O-OG 3.11Å; S5-L7 PolarHBondContact O-N 3.42Å; S5-L7 VanDerWaalsContact O-N 3.14Å; S5-N8 WeakPolarHBondContact O-CB 3.24Å; S5-N8 PolarHBondContact O-N 3.07Å; S5-D9 PolarHBondContact O-N 3.17Å; S5-D9 VanDerWaalsContact O-OD2 3.09Å |
| 6 | S | 60.5 | Low | 62.5 | Low | 54 Ų | 54 | 81.9 Ų | 81.9 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -27.3 | -178.9 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | S3 I10 | S3-S6 PolarHBondContact O-OG 2.74Å; S3-S6 VanDerWaalsContact O-OG 3.09Å; S6-I10 WeakPolarHBondContact O-CD1 3.5Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.46Å; S6-I10 PolarHBondContact O-N 2.97Å |
| 7 | L | 60.9 | Low | 62.9 | Low | 68 Ų | 68 | 78.3 Ų | 78.3 | 36% | 0.356 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.8 | -40.9 | 175.3 | -70 | 171 | 0 | 0 | 0 | 111.3 | Q4 S5 D9 I10 S11 Q117 | Q4-L7 PolarHBondContact O-N 3.36Å; S5-L7 PolarHBondContact O-N 3.42Å; S5-L7 VanDerWaalsContact O-N 3.14Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-I10 PolarHBondContact O-N 2.86Å; L7-S11 WeakPolarHBondContact O-CB 3.05Å; L7-S11 PolarHBondContact O-N 3.37Å; L7-Q117 HydrophobicContact CD2-CG 4.31Å |
| 8 | N | 67.4 | Low | 63.6 | Low | 102 Ų | 102 | 74.9 Ų | 74.9 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 173.8 | -68.9 | -6.2 | 0 | 0 | 0 | 111.4 | Q4 S5 I10 S11 N12 | Q4-N8 PolarHBondContact O-N 3.01Å; S5-N8 WeakPolarHBondContact O-CB 3.24Å; S5-N8 PolarHBondContact O-N 3.07Å; N8-I10 PolarHBondContact O-N 2.94Å; N8-S11 PolarHBondContact O-N 3.47Å; N8-N12 WeakPolarHBondContact O-CB 3.37Å; N8-N12 VanDerWaalsContact O-CG 3.23Å; N8-N12 PolarHBondContact O-N 2.99Å; N8-N12 PolarHBondContact O-ND2 3.04Å |
| 9 | D | 73.2 | Confident | 64.2 | Low | 101 Ų | 101 | 76.7 Ų | 76.7 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177 | -60.5 | -34.2 | 0 | 0 | 0 | 111.4 | S5 L7 A13 | S5-D9 PolarHBondContact O-N 3.17Å; S5-D9 VanDerWaalsContact O-OD2 3.09Å; L7-D9 VanDerWaalsContact C-N 3.35Å; D9-A13 WeakPolarHBondContact O-CB 3.37Å; D9-A13 PolarHBondContact O-N 3.39Å |
| 10 | I | 72.6 | Confident | 64.6 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 176.3 | -68.5 | 165.6 | 0 | 0 | 0 | 111.3 | S6 L7 N8 N12 A13 I14 | S6-I10 WeakPolarHBondContact O-CD1 3.5Å; S6-I10 VanDerWaalsContact O-CG1 3.26Å; S6-I10 WeakPolarHBondContact O-CG1 3.46Å; S6-I10 PolarHBondContact O-N 2.97Å; L7-I10 PolarHBondContact O-N 2.86Å; N8-I10 PolarHBondContact O-N 2.94Å; I10-N12 PolarHBondContact O-N 3.29Å; I10-A13 PolarHBondContact O-N 2.84Å; I10-I14 HydrophobicContact CG2-CD1 3.8Å; I10-I14 HydrophobicContact CG2-CG1 4.49Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.5Å; I10-I14 PolarHBondContact O-N 2.88Å |
| 11 | S | 77.2 | Confident | 65 | Low | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.063 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 177.5 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | L7 N8 I14 R15 E111 | L7-S11 WeakPolarHBondContact O-CB 3.05Å; L7-S11 PolarHBondContact O-N 3.37Å; N8-S11 PolarHBondContact O-N 3.47Å; S11-I14 PolarHBondContact O-N 3.33Å; S11-R15 WeakPolarHBondContact O-CG 3.46Å; S11-R15 PolarHBondContact O-N 3.11Å; S11-R15 PolarHBondContact OG-NH1 3.41Å; S11-R15 PolarHBondContact OG-NH2 3.04Å; S11-E111 WeakPolarHBondContact CB-OE1 3.4Å; S11-E111 PolarHBondContact OG-OE1 2.64Å |
| 12 | N | 76.1 | Confident | 66.6 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.2 | -72 | -24.4 | 0 | 0 | 0 | 112.2 | N8 I10 I14 R15 Q16 | N8-N12 WeakPolarHBondContact O-CB 3.37Å; N8-N12 VanDerWaalsContact O-CG 3.23Å; N8-N12 PolarHBondContact O-N 2.99Å; N8-N12 PolarHBondContact O-ND2 3.04Å; I10-N12 PolarHBondContact O-N 3.29Å; N12-I14 VanDerWaalsContact C-N 3.35Å; N12-I14 PolarHBondContact O-N 3.09Å; N12-R15 PolarHBondContact O-N 3.28Å; N12-Q16 WeakPolarHBondContact O-CG 3.32Å; N12-Q16 PolarHBondContact O-N 3.29Å |
| 13 | A | 74 | Confident | 68.3 | Low | 31 Ų | 31 | 66.8 Ų | 66.8 | 26% | 0.256 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D9 I10 E17 V70 | D9-A13 WeakPolarHBondContact O-CB 3.37Å; D9-A13 PolarHBondContact O-N 3.39Å; I10-A13 PolarHBondContact O-N 2.84Å; A13-E17 PolarHBondContact O-N 2.89Å; A13-E17 VanDerWaalsContact O-N 3.11Å; A13-V70 HydrophobicContact CB-CG2 4.47Å |
| 14 | I | 75.6 | Confident | 69.7 | Low | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 174 | -72.3 | 165.6 | 0 | 0 | 0 | 110.8 | I10 S11 N12 E17 I18 V70 E111 S118 L120 | I10-I14 HydrophobicContact CG2-CD1 3.8Å; I10-I14 HydrophobicContact CG2-CG1 4.49Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.5Å; I10-I14 PolarHBondContact O-N 2.88Å; S11-I14 PolarHBondContact O-N 3.33Å; N12-I14 VanDerWaalsContact C-N 3.35Å; N12-I14 PolarHBondContact O-N 3.09Å; I14-E17 PolarHBondContact O-N 3.01Å; I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 VanDerWaalsContact O-CG1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.37Å; I14-V70 HydrophobicContact CD1-CG1 4.02Å; I14-V70 HydrophobicContact CG1-CG1 3.58Å; I14-E111 HydrophobicContact CG2-CB 3.85Å; I14-E111 HydrophobicContact CG2-CG 3.97Å; I14-S118 WeakPolarHBondContact CD1-O 3.37Å; I14-L120 HydrophobicContact CG1-CB 4.33Å; I14-L120 HydrophobicContact CG2-CD1 4.16Å |
| 15 | R | 78.7 | Confident | 70.9 | Confident | 114 Ų | 114 | 61 Ų | 61 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.3 | -70.4 | 173.6 | -170.8 | 141.7 | 10.2 | 112.7 | S11 N12 E17 I18 I19 E111 | S11-R15 WeakPolarHBondContact O-CG 3.46Å; S11-R15 PolarHBondContact O-N 3.11Å; S11-R15 PolarHBondContact OG-NH1 3.41Å; S11-R15 PolarHBondContact OG-NH2 3.04Å; N12-R15 PolarHBondContact O-N 3.28Å; R15-E17 VanDerWaalsContact C-N 3.27Å; R15-E17 PolarHBondContact O-N 3.1Å; R15-I18 PolarHBondContact O-N 3.38Å; R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.49Å; R15-I19 PolarHBondContact O-N 3.05Å; R15-E111 IonicContact CZ-OE1 2.99Å; R15-E111 IonicContact CZ-OE2 2.9Å; R15-E111 IonicContact NE-OE2 2.66Å; R15-E111 PolarHBondContact NE-OE2 3.45Å; R15-E111 IonicContact NH2-OE1 3.46Å; R15-E111 PolarHBondContact NH2-OE1 2.64Å; R15-E111 IonicContact NH2-OE2 3.28Å; R15-E111 PolarHBondContact NH2-OE2 2.83Å |
| 16 | Q | 72.8 | Confident | 72.1 | Confident | 141 Ų | 141 | 59.7 Ų | 59.7 | 66% | 0.659 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.8 | -40.4 | 175.6 | -74.9 | 175.1 | -9.5 | 0 | 0 | 111.6 | N12 R20 | N12-Q16 WeakPolarHBondContact O-CG 3.32Å; N12-Q16 PolarHBondContact O-N 3.29Å; Q16-R20 VanDerWaalsContact O-CB 3.24Å; Q16-R20 WeakPolarHBondContact O-CB 3.09Å; Q16-R20 PolarHBondContact O-N 2.82Å |
| 17 | E | 70.6 | Confident | 72.8 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.5 | -35.7 | 177 | 173.9 | 55.3 | -157 | 0 | 0 | 113.6 | A13 I14 R15 R20 F21 T65 K109 | A13-E17 PolarHBondContact O-N 2.89Å; A13-E17 VanDerWaalsContact O-N 3.11Å; I14-E17 PolarHBondContact O-N 3.01Å; R15-E17 VanDerWaalsContact C-N 3.27Å; R15-E17 PolarHBondContact O-N 3.1Å; E17-R20 VanDerWaalsContact CD-NH2 3.28Å; E17-R20 IonicContact OE1-CZ 2.78Å; E17-R20 IonicContact OE1-NH2 3.97Å; E17-R20 PolarHBondContact OE1-NH2 3Å; E17-R20 IonicContact OE2-CZ 3.38Å; E17-R20 VanDerWaalsContact OE2-CZ 3.25Å; E17-R20 IonicContact OE2-NE 3.79Å; E17-R20 PolarHBondContact OE2-NE 3.35Å; E17-R20 IonicContact OE2-NH2 3.2Å; E17-R20 PolarHBondContact OE2-NH2 2.71Å; E17-F21 WeakPolarHBondContact O-CB 3.13Å; E17-F21 PolarHBondContact O-N 3.46Å; E17-T65 VanDerWaalsContact CD-O 3.3Å; E17-T65 VanDerWaalsContact CG-O 3.29Å; E17-T65 WeakPolarHBondContact CG-O 3.31Å; E17-T65 VanDerWaalsContact OE1-CA 3.32Å; E17-T65 WeakPolarHBondContact OE1-CA 3.45Å; E17-T65 WeakPolarHBondContact OE1-CB 3.39Å; E17-T65 VanDerWaalsContact OE1-CG2 3.23Å; E17-T65 WeakPolarHBondContact OE1-CG2 3.41Å; E17-K109 IonicContact OE1-NZ 2.78Å; E17-K109 PolarHBondContact OE1-NZ 3.29Å |
| 18 | I | 75.1 | Confident | 73.6 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -52.2 | 173.6 | -67.9 | 164.4 | 0 | 0 | 0 | 109.6 | I14 R15 R20 F21 E22 K109 E111 L120 | I14-I18 HydrophobicContact CG2-CD1 3.78Å; I14-I18 VanDerWaalsContact O-CG1 3.32Å; I14-I18 WeakPolarHBondContact O-CG1 3.48Å; I14-I18 PolarHBondContact O-N 3.37Å; R15-I18 PolarHBondContact O-N 3.38Å; I18-R20 VanDerWaalsContact C-N 3.31Å; I18-R20 PolarHBondContact O-N 3.27Å; I18-F21 WeakPolarHBondContact O-CB 3.49Å; I18-F21 PolarHBondContact O-N 2.97Å; I18-F21 VanDerWaalsContact O-N 3.09Å; I18-E22 HydrophobicContact CG2-CG 4.36Å; I18-E22 WeakPolarHBondContact O-CG 3.5Å; I18-E22 PolarHBondContact O-N 2.82Å; I18-K109 HydrophobicContact CG1-CB 3.95Å; I18-E111 HydrophobicContact CD1-CB 4.09Å; I18-L120 HydrophobicContact CD1-CD1 4.37Å; I18-L120 HydrophobicContact CG1-CD1 4.1Å |
| 19 | I | 74.8 | Confident | 74.1 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.3 | -44.9 | 177.6 | -66.6 | 163.8 | 0 | 0 | 0 | 111 | R15 F21 E22 S23 | R15-I19 VanDerWaalsContact O-CG1 3.3Å; R15-I19 WeakPolarHBondContact O-CG1 3.49Å; R15-I19 PolarHBondContact O-N 3.05Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.26Å; I19-E22 PolarHBondContact O-N 3.14Å; I19-S23 WeakPolarHBondContact O-CB 3.49Å; I19-S23 PolarHBondContact O-N 3.06Å; I19-S23 PolarHBondContact O-OG 2.97Å |
| 20 | R | 72.4 | Confident | 74.4 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 178.3 | -167.1 | -170.6 | 69.8 | 76.2 | 12 | 111.6 | Q16 E17 I18 S23 W64 | Q16-R20 VanDerWaalsContact O-CB 3.24Å; Q16-R20 WeakPolarHBondContact O-CB 3.09Å; Q16-R20 PolarHBondContact O-N 2.82Å; E17-R20 VanDerWaalsContact CD-NH2 3.28Å; E17-R20 IonicContact OE1-CZ 2.78Å; E17-R20 IonicContact OE1-NH2 3.97Å; E17-R20 PolarHBondContact OE1-NH2 3Å; E17-R20 IonicContact OE2-CZ 3.38Å; E17-R20 VanDerWaalsContact OE2-CZ 3.25Å; E17-R20 IonicContact OE2-NE 3.79Å; E17-R20 PolarHBondContact OE2-NE 3.35Å; E17-R20 IonicContact OE2-NH2 3.2Å; E17-R20 PolarHBondContact OE2-NH2 2.71Å; I18-R20 VanDerWaalsContact C-N 3.31Å; I18-R20 PolarHBondContact O-N 3.27Å; R20-S23 PolarHBondContact O-OG 2.94Å; R20-W64 VanDerWaalsContact CZ-O 3.24Å; R20-W64 PolarHBondContact NH2-O 3.02Å |
| 21 | F | 72.8 | Confident | 74.9 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.7 | -49.5 | 176.2 | -179.7 | -107.2 | 0 | 0 | 0 | 112.3 | E17 I18 I19 S23 V24 H25 V59 K109 | E17-F21 WeakPolarHBondContact O-CB 3.13Å; E17-F21 PolarHBondContact O-N 3.46Å; I18-F21 WeakPolarHBondContact O-CB 3.49Å; I18-F21 PolarHBondContact O-N 2.97Å; I18-F21 VanDerWaalsContact O-N 3.09Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.26Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.1Å; F21-V24 PolarHBondContact O-N 3.35Å; F21-V24 VanDerWaalsContact O-N 3.12Å; F21-H25 AromaticContact CZ-NE2 3.88Å; F21-V59 HydrophobicContact CE2-CG2 4.33Å; F21-K109 HydrophobicContact CB-CD 3.75Å; F21-K109 HydrophobicContact CD1-CB 4.4Å; F21-K109 HydrophobicContact CD1-CD 3.8Å; F21-K109 HydrophobicContact CD1-CG 3.81Å; F21-K109 HydrophobicContact CD2-CD 4.19Å; F21-K109 HydrophobicContact CE1-CD 4.45Å; F21-K109 HydrophobicContact CE1-CG 4.12Å; F21-K109 HydrophobicContact CG-CD 3.64Å; F21-K109 HydrophobicContact CG-CG 4.19Å |
| 22 | E | 73.4 | Confident | 75.3 | Confident | 95 Ų | 95 | 59.1 Ų | 59.1 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -32.3 | -179 | -69.1 | 173 | 163.9 | 0 | 0 | 112.3 | I18 I19 V24 P26 | I18-E22 HydrophobicContact CG2-CG 4.36Å; I18-E22 WeakPolarHBondContact O-CG 3.5Å; I18-E22 PolarHBondContact O-N 2.82Å; I19-E22 PolarHBondContact O-N 3.14Å; E22-V24 PolarHBondContact O-N 2.81Å; E22-P26 VanDerWaalsContact O-CD 3.26Å; E22-P26 WeakPolarHBondContact O-CD 3.31Å |
| 23 | S | 70.4 | Confident | 75.7 | Confident | 42 Ų | 42 | 60.4 Ų | 60.4 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.4 | 175.6 | 72.4 | 0 | 0 | 0 | 0 | 115.4 | I19 R20 F21 N27 | I19-S23 WeakPolarHBondContact O-CB 3.49Å; I19-S23 PolarHBondContact O-N 3.06Å; I19-S23 PolarHBondContact O-OG 2.97Å; R20-S23 PolarHBondContact O-OG 2.94Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 3.1Å; S23-N27 PolarHBondContact O-ND2 3.12Å |
| 24 | V | 70.9 | Confident | 76.2 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -78.5 | -42.4 | -177.1 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | F21 E22 N27 I28 | F21-V24 PolarHBondContact O-N 3.35Å; F21-V24 VanDerWaalsContact O-N 3.12Å; E22-V24 PolarHBondContact O-N 2.81Å; V24-N27 WeakPolarHBondContact O-CB 3.36Å; V24-N27 PolarHBondContact O-N 3.27Å; V24-I28 HydrophobicContact CG1-CD1 3.58Å; V24-I28 HydrophobicContact CG1-CG1 3.98Å; V24-I28 PolarHBondContact O-N 3.34Å |
| 25 | H | 71.4 | Confident | 76.7 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | -174.2 | -69.2 | -72.5 | 0 | 0 | 0 | 114.5 | F21 N27 I28 Y29 E55 | F21-H25 AromaticContact CZ-NE2 3.88Å; H25-N27 PolarHBondContact O-N 3.18Å; H25-I28 PolarHBondContact O-N 3.14Å; H25-I28 VanDerWaalsContact O-N 3.13Å; H25-Y29 HydrophobicContact CB-CD2 4.41Å; H25-Y29 HydrophobicContact CB-CE2 3.97Å; H25-Y29 WeakPolarHBondContact O-CD2 3.43Å; H25-Y29 PolarHBondContact O-N 2.9Å; H25-E55 IonicContact CE1-OE1 3.39Å; H25-E55 IonicContact ND1-OE1 3.97Å; H25-E55 PolarHBondContact ND1-OE1 2.79Å |
| 26 | P | 73 | Confident | 77.1 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -34.2 | 174.5 | -26.1 | 36 | 0 | 0 | 0 | 113.6 | E22 A30 M909 | E22-P26 VanDerWaalsContact O-CD 3.26Å; E22-P26 WeakPolarHBondContact O-CD 3.31Å; P26-A30 WeakPolarHBondContact O-CB 3.49Å; P26-A30 PolarHBondContact O-N 3.27Å; P26-A30 VanDerWaalsContact O-N 3.09Å; P26-M909 HydrophobicContact CB-SD 4.43Å; P26-M909 HydrophobicContact CG-CE 4.42Å; P26-M909 HydrophobicContact CG-CG 4.37Å; P26-M909 HydrophobicContact CG-SD 3.9Å |
| 27 | N | 76.3 | Confident | 77.7 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -73.5 | -38.4 | 176.1 | -69.8 | -79.8 | 0 | 0 | 0 | 111.5 | S23 V24 H25 A30 I31 | S23-N27 PolarHBondContact O-ND2 3.12Å; V24-N27 WeakPolarHBondContact O-CB 3.36Å; V24-N27 PolarHBondContact O-N 3.27Å; H25-N27 PolarHBondContact O-N 3.18Å; N27-A30 PolarHBondContact O-N 3.04Å; N27-I31 WeakPolarHBondContact O-CD1 3.34Å; N27-I31 VanDerWaalsContact O-CG1 3.27Å; N27-I31 WeakPolarHBondContact O-CG1 3.26Å; N27-I31 PolarHBondContact O-N 3.1Å; N27-I31 VanDerWaalsContact O-N 3.1Å |
| 28 | I | 77.2 | Confident | 78.5 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 173.8 | -70.5 | 178.4 | 0 | 0 | 0 | 110.9 | V24 H25 A30 I31 Y32 V51 E55 | V24-I28 HydrophobicContact CG1-CD1 3.58Å; V24-I28 HydrophobicContact CG1-CG1 3.98Å; V24-I28 PolarHBondContact O-N 3.34Å; H25-I28 PolarHBondContact O-N 3.14Å; H25-I28 VanDerWaalsContact O-N 3.13Å; I28-A30 PolarHBondContact O-N 2.79Å; I28-I31 PolarHBondContact O-N 2.78Å; I28-Y32 HydrophobicContact CG2-CD2 3.84Å; I28-Y32 HydrophobicContact CG2-CE2 3.38Å; I28-Y32 WeakPolarHBondContact O-CD2 3.35Å; I28-Y32 PolarHBondContact O-N 3.05Å; I28-V51 HydrophobicContact CG2-CG1 4.02Å; I28-E55 HydrophobicContact CD1-CB 3.93Å; I28-E55 HydrophobicContact CD1-CG 3.83Å |
| 29 | Y | 77.9 | Confident | 79 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 38% | 0.384 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.1 | -64.4 | -50.8 | 0 | 0 | 0 | 112.4 | H25 I31 Y32 D33 T902 I906 | H25-Y29 HydrophobicContact CB-CD2 4.41Å; H25-Y29 HydrophobicContact CB-CE2 3.97Å; H25-Y29 WeakPolarHBondContact O-CD2 3.43Å; H25-Y29 PolarHBondContact O-N 2.9Å; Y29-I31 PolarHBondContact O-N 2.86Å; Y29-Y32 HydrophobicContact CD1-CD2 4.28Å; Y29-Y32 PolarHBondContact O-N 3.45Å; Y29-Y32 VanDerWaalsContact O-N 3.08Å; Y29-D33 PolarHBondContact O-N 2.75Å; Y29-T902 HydrophobicContact CE2-CG2 4.17Å; Y29-I906 HydrophobicContact CD2-CD1 4.33Å |
| 30 | A | 79.2 | Confident | 79.7 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63 | -27.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | P26 N27 I28 L34 | P26-A30 WeakPolarHBondContact O-CB 3.49Å; P26-A30 PolarHBondContact O-N 3.27Å; P26-A30 VanDerWaalsContact O-N 3.09Å; N27-A30 PolarHBondContact O-N 3.04Å; I28-A30 PolarHBondContact O-N 2.79Å; A30-L34 VanDerWaalsContact O-CG 3.29Å; A30-L34 WeakPolarHBondContact O-CG 3.41Å; A30-L34 PolarHBondContact O-N 3.21Å |
| 31 | I | 83.1 | Confident | 80.4 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -76 | -38.5 | 172 | -60.7 | 160.1 | 0 | 0 | 0 | 110.6 | N27 I28 Y29 L34 I35 V51 | N27-I31 WeakPolarHBondContact O-CD1 3.34Å; N27-I31 VanDerWaalsContact O-CG1 3.27Å; N27-I31 WeakPolarHBondContact O-CG1 3.26Å; N27-I31 PolarHBondContact O-N 3.1Å; N27-I31 VanDerWaalsContact O-N 3.1Å; I28-I31 PolarHBondContact O-N 2.78Å; Y29-I31 PolarHBondContact O-N 2.86Å; I31-L34 PolarHBondContact O-N 2.89Å; I31-I35 HydrophobicContact CG2-CD1 3.86Å; I31-I35 HydrophobicContact CG2-CG1 4.36Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 3.42Å; I31-V51 HydrophobicContact CB-CG2 4.45Å; I31-V51 HydrophobicContact CG2-CG2 3.54Å |
| 32 | Y | 86.2 | Confident | 81.1 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 18% | 0.18 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 171.9 | -70.7 | -56.6 | 0 | 0 | 0 | 111.9 | I28 Y29 L34 I35 D36 V51 V52 E55 | I28-Y32 HydrophobicContact CG2-CD2 3.84Å; I28-Y32 HydrophobicContact CG2-CE2 3.38Å; I28-Y32 WeakPolarHBondContact O-CD2 3.35Å; I28-Y32 PolarHBondContact O-N 3.05Å; Y29-Y32 HydrophobicContact CD1-CD2 4.28Å; Y29-Y32 PolarHBondContact O-N 3.45Å; Y29-Y32 VanDerWaalsContact O-N 3.08Å; Y32-L34 VanDerWaalsContact C-N 3.28Å; Y32-L34 PolarHBondContact O-N 3.39Å; Y32-I35 HydrophobicContact CD1-CD1 4.44Å; Y32-I35 PolarHBondContact O-N 3.01Å; Y32-I35 VanDerWaalsContact O-N 3.07Å; Y32-D36 PolarHBondContact O-N 3.44Å; Y32-V51 HydrophobicContact CD1-CG1 4.33Å; Y32-V51 HydrophobicContact CE1-CB 4.06Å; Y32-V51 HydrophobicContact CE1-CG1 3.72Å; Y32-V51 HydrophobicContact CE2-CG1 4.03Å; Y32-V52 WeakPolarHBondContact OH-CG2 3.48Å; Y32-E55 PolarHBondContact OH-OE2 2.8Å |
| 33 | D | 83.2 | Confident | 81.8 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.3 | -39.4 | 172.8 | -70.9 | -23.8 | 0 | 0 | 0 | 112.3 | Y29 A37 | Y29-D33 PolarHBondContact O-N 2.75Å; D33-A37 PolarHBondContact O-N 3.03Å |
| 34 | L | 85.6 | Confident | 82.6 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 61% | 0.613 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72 | -30.5 | 176.4 | -73.2 | 169.4 | 0 | 0 | 0 | 112.7 | A30 I31 Y32 A37 | A30-L34 VanDerWaalsContact O-CG 3.29Å; A30-L34 WeakPolarHBondContact O-CG 3.41Å; A30-L34 PolarHBondContact O-N 3.21Å; I31-L34 PolarHBondContact O-N 2.89Å; Y32-L34 VanDerWaalsContact C-N 3.28Å; Y32-L34 PolarHBondContact O-N 3.39Å; L34-A37 PolarHBondContact O-N 3Å |
| 35 | I | 86.4 | Confident | 83.4 | Confident | 6 Ų | 6 | 80.1 Ų | 80.1 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74.7 | -36.5 | 175.3 | -68.5 | 163.9 | 0 | 0 | 0 | 111.1 | I31 Y32 A37 V38 A44 L47 R48 V51 | I31-I35 HydrophobicContact CG2-CD1 3.86Å; I31-I35 HydrophobicContact CG2-CG1 4.36Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.39Å; I31-I35 PolarHBondContact O-N 3.42Å; Y32-I35 HydrophobicContact CD1-CD1 4.44Å; Y32-I35 PolarHBondContact O-N 3.01Å; Y32-I35 VanDerWaalsContact O-N 3.07Å; I35-A37 PolarHBondContact O-N 3.28Å; I35-V38 WeakPolarHBondContact O-CB 3.13Å; I35-V38 PolarHBondContact O-N 2.99Å; I35-V38 VanDerWaalsContact O-N 3.08Å; I35-A44 HydrophobicContact CG2-CB 3.93Å; I35-A44 VanDerWaalsContact CG2-O 3.27Å; I35-A44 WeakPolarHBondContact CG2-O 3.23Å; I35-L47 HydrophobicContact CD1-CB 3.71Å; I35-L47 HydrophobicContact CG1-CB 3.74Å; I35-L47 HydrophobicContact CG1-CD1 4.3Å; I35-L47 HydrophobicContact CG2-CB 4.37Å; I35-R48 HydrophobicContact CG2-CG 3.69Å; I35-V51 HydrophobicContact CD1-CB 4.49Å; I35-V51 HydrophobicContact CD1-CG2 3.72Å |
| 36 | D | 86.6 | Confident | 84.2 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 58% | 0.583 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.5 | -25.1 | 171.4 | -81.9 | 29.4 | 0 | 0 | 0 | 112.4 | Y32 R48 | Y32-D36 PolarHBondContact O-N 3.44Å; D36-R48 IonicContact OD1-CZ 2.85Å; D36-R48 IonicContact OD1-NH1 3.52Å; D36-R48 PolarHBondContact OD1-NH1 3.13Å; D36-R48 IonicContact OD1-NH2 2.78Å; D36-R48 PolarHBondContact OD1-NH2 3.47Å |
| 37 | A | 86.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 62% | 0.62 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D33 L34 I35 | D33-A37 PolarHBondContact O-N 3.03Å; L34-A37 PolarHBondContact O-N 3Å; I35-A37 PolarHBondContact O-N 3.28Å |
| 38 | V | 86.8 | Confident | 85.5 | Confident | 43 Ų | 43 | 81.2 Ų | 81.2 | 26% | 0.261 | 42% | 0.423 | S | S | . | . | trans | -86.6 | 118.5 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | I35 D40 L43 A44 L47 | I35-V38 WeakPolarHBondContact O-CB 3.13Å; I35-V38 PolarHBondContact O-N 2.99Å; I35-V38 VanDerWaalsContact O-N 3.08Å; V38-D40 HydrophobicContact CG1-CB 4.48Å; V38-D40 PolarHBondContact O-N 2.84Å; V38-L43 HydrophobicContact CG1-CB 4.29Å; V38-L43 HydrophobicContact CG1-CD2 4.02Å; V38-L43 HydrophobicContact CG1-CG 4.2Å; V38-A44 HydrophobicContact CB-CB 4.14Å; V38-A44 HydrophobicContact CG1-CB 4.32Å; V38-L47 HydrophobicContact CG2-CD1 4.41Å | ||
| 39 | E | 86.1 | Confident | 85.9 | Confident | 194 Ų | 194 | 86.7 Ų | 86.7 | 91% | 0.907 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -65.9 | -33.6 | -179.3 | -61.6 | -175.4 | 171.3 | 0 | 0 | 113.6 | K41 | E39-K41 PolarHBondContact O-N 2.93Š|
| 40 | D | 89.3 | Confident | 86.4 | Confident | 77 Ų | 77 | 87 Ų | 87 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | trans | -78.9 | 107.1 | 173.6 | 176.2 | 18.6 | 0 | 0 | 0 | 111.4 | V38 N42 L43 A44 | V38-D40 HydrophobicContact CG1-CB 4.48Å; V38-D40 PolarHBondContact O-N 2.84Å; D40-N42 PolarHBondContact O-N 3.28Å; D40-N42 WeakPolarHBondContact OD1-CB 3.39Å; D40-N42 PolarHBondContact OD1-N 3.15Å; D40-N42 PolarHBondContact OD1-ND2 3.49Å; D40-L43 HydrophobicContact CB-CB 4.09Å; D40-L43 PolarHBondContact O-N 2.89Å; D40-L43 VanDerWaalsContact OD2-CB 3.32Å; D40-L43 WeakPolarHBondContact OD2-CB 3.28Å; D40-L43 PolarHBondContact OD2-N 3.32Å; D40-A44 WeakPolarHBondContact O-CB 3.27Å; D40-A44 PolarHBondContact O-N 2.93Å | ||
| 41 | K | 86.3 | Confident | 86.7 | Confident | 175 Ų | 175 | 85.5 Ų | 85.5 | 76% | 0.761 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.8 | -29.2 | 178.3 | -61.4 | -174.7 | 178.4 | -175.7 | 0 | 113.9 | E39 E45 | E39-K41 PolarHBondContact O-N 2.93Å; K41-E45 WeakPolarHBondContact O-CB 3.33Å; K41-E45 PolarHBondContact O-N 2.86Å |
| 42 | N | 87.1 | Confident | 86.6 | Confident | 122 Ų | 122 | 84.7 Ų | 84.7 | 65% | 0.652 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -75.7 | -43.7 | -179.2 | -53.4 | -74.8 | 0 | 0 | 0 | 110.9 | D40 S46 | D40-N42 PolarHBondContact O-N 3.28Å; D40-N42 WeakPolarHBondContact OD1-CB 3.39Å; D40-N42 PolarHBondContact OD1-N 3.15Å; D40-N42 PolarHBondContact OD1-ND2 3.49Å; N42-S46 WeakPolarHBondContact O-CB 3.1Å; N42-S46 PolarHBondContact O-N 2.98Å; N42-S46 PolarHBondContact O-OG 3Å |
| 43 | L | 88.5 | Confident | 86.3 | Confident | 85 Ų | 85 | 86 Ų | 86 | 45% | 0.445 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 170.3 | 178.8 | 60.1 | 0 | 0 | 0 | 111 | V38 D40 E45 S46 L47 | V38-L43 HydrophobicContact CG1-CB 4.29Å; V38-L43 HydrophobicContact CG1-CD2 4.02Å; V38-L43 HydrophobicContact CG1-CG 4.2Å; D40-L43 HydrophobicContact CB-CB 4.09Å; D40-L43 PolarHBondContact O-N 2.89Å; D40-L43 VanDerWaalsContact OD2-CB 3.32Å; D40-L43 WeakPolarHBondContact OD2-CB 3.28Å; D40-L43 PolarHBondContact OD2-N 3.32Å; L43-E45 PolarHBondContact O-N 2.96Å; L43-S46 PolarHBondContact O-N 3.46Å; L43-L47 HydrophobicContact CD1-CD1 4.1Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 3.96Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.13Å |
| 44 | A | 86.5 | Confident | 86.1 | Confident | 7 Ų | 7 | 85.1 Ų | 85.1 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -57.5 | -50.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I35 V38 D40 S46 L47 R48 | I35-A44 HydrophobicContact CG2-CB 3.93Å; I35-A44 VanDerWaalsContact CG2-O 3.27Å; I35-A44 WeakPolarHBondContact CG2-O 3.23Å; V38-A44 HydrophobicContact CB-CB 4.14Å; V38-A44 HydrophobicContact CG1-CB 4.32Å; D40-A44 WeakPolarHBondContact O-CB 3.27Å; D40-A44 PolarHBondContact O-N 2.93Å; A44-S46 VanDerWaalsContact C-N 3.35Å; A44-S46 PolarHBondContact O-N 3.49Å; A44-L47 PolarHBondContact O-N 2.68Å; A44-R48 WeakPolarHBondContact O-CG 3.37Å; A44-R48 PolarHBondContact O-N 3.16Å |
| 45 | E | 88.1 | Confident | 85.6 | Confident | 116 Ų | 116 | 81.5 Ų | 81.5 | 54% | 0.542 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 178.4 | -169.2 | 60.8 | -162.4 | 0 | 0 | 112.3 | K41 L43 L47 R48 Q49 | K41-E45 WeakPolarHBondContact O-CB 3.33Å; K41-E45 PolarHBondContact O-N 2.86Å; L43-E45 PolarHBondContact O-N 2.96Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 2.89Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 IonicContact OE2-NE 3.49Å; E45-Q49 PolarHBondContact O-N 3.28Å |
| 46 | S | 88.4 | Confident | 84.7 | Confident | 70 Ų | 70 | 85.2 Ų | 85.2 | 49% | 0.49 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 174.3 | -58.3 | 0 | 0 | 0 | 0 | 112 | N42 L43 A44 L50 | N42-S46 WeakPolarHBondContact O-CB 3.1Å; N42-S46 PolarHBondContact O-N 2.98Å; N42-S46 PolarHBondContact O-OG 3Å; L43-S46 PolarHBondContact O-N 3.46Å; A44-S46 VanDerWaalsContact C-N 3.35Å; A44-S46 PolarHBondContact O-N 3.49Å; S46-L50 WeakPolarHBondContact O-CG 3.41Å; S46-L50 PolarHBondContact O-N 3.27Å; S46-L50 VanDerWaalsContact O-N 3.09Å |
| 47 | L | 88.2 | Confident | 83.8 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 31% | 0.309 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.8 | -41 | 174.4 | -69.5 | 169.5 | 0 | 0 | 0 | 111.7 | I35 V38 L43 A44 E45 Q49 L50 V51 | I35-L47 HydrophobicContact CD1-CB 3.71Å; I35-L47 HydrophobicContact CG1-CB 3.74Å; I35-L47 HydrophobicContact CG1-CD1 4.3Å; I35-L47 HydrophobicContact CG2-CB 4.37Å; V38-L47 HydrophobicContact CG2-CD1 4.41Å; L43-L47 HydrophobicContact CD1-CD1 4.1Å; L43-L47 HydrophobicContact CD1-CG 4.15Å; L43-L47 HydrophobicContact CG-CD1 3.96Å; L43-L47 HydrophobicContact CG-CG 4.44Å; L43-L47 WeakPolarHBondContact O-CB 3.4Å; L43-L47 VanDerWaalsContact O-CG 3.28Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.13Å; A44-L47 PolarHBondContact O-N 2.68Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 2.89Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.43Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-V51 WeakPolarHBondContact O-CG2 3.11Å; L47-V51 PolarHBondContact O-N 3.23Å |
| 48 | R | 89 | Confident | 82.8 | Confident | 74 Ų | 74 | 82 Ų | 82 | 28% | 0.279 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 172.6 | -65.8 | -171.7 | -160.6 | -74.8 | -10.1 | 110.5 | I35 D36 A44 E45 L50 V51 V52 | I35-R48 HydrophobicContact CG2-CG 3.69Å; D36-R48 IonicContact OD1-CZ 2.85Å; D36-R48 IonicContact OD1-NH1 3.52Å; D36-R48 PolarHBondContact OD1-NH1 3.13Å; D36-R48 IonicContact OD1-NH2 2.78Å; D36-R48 PolarHBondContact OD1-NH2 3.47Å; A44-R48 WeakPolarHBondContact O-CG 3.37Å; A44-R48 PolarHBondContact O-N 3.16Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 IonicContact OE2-NE 3.49Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 PolarHBondContact O-N 3.06Å; R48-V51 PolarHBondContact O-N 3.1Å; R48-V51 VanDerWaalsContact O-N 3.11Å; R48-V52 WeakPolarHBondContact O-CG2 3.34Å; R48-V52 PolarHBondContact O-N 3.31Å |
| 49 | Q | 86.2 | Confident | 81.7 | Confident | 123 Ų | 123 | 81.6 Ų | 81.6 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.1 | -32.7 | -178.5 | -175 | 59.3 | 99.3 | 0 | 0 | 112.5 | E45 L47 S53 | E45-Q49 PolarHBondContact O-N 3.28Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.43Å; Q49-S53 VanDerWaalsContact O-CB 3.3Å; Q49-S53 WeakPolarHBondContact O-CB 3.47Å; Q49-S53 PolarHBondContact O-N 2.92Å; Q49-S53 VanDerWaalsContact O-N 3.1Å |
| 50 | L | 86.9 | Confident | 80.3 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -43.6 | 170.6 | -74.4 | 168.9 | 0 | 0 | 0 | 112.3 | S46 L47 R48 S53 I54 | S46-L50 WeakPolarHBondContact O-CG 3.41Å; S46-L50 PolarHBondContact O-N 3.27Å; S46-L50 VanDerWaalsContact O-N 3.09Å; L47-L50 PolarHBondContact O-N 2.87Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 PolarHBondContact O-N 3.06Å; L50-S53 WeakPolarHBondContact O-CB 3.04Å; L50-S53 PolarHBondContact O-N 3.46Å; L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 3.09Å |
| 51 | V | 85.6 | Confident | 78.7 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 177.7 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | I28 I31 Y32 I35 L47 R48 S53 I54 E55 | I28-V51 HydrophobicContact CG2-CG1 4.02Å; I31-V51 HydrophobicContact CB-CG2 4.45Å; I31-V51 HydrophobicContact CG2-CG2 3.54Å; Y32-V51 HydrophobicContact CD1-CG1 4.33Å; Y32-V51 HydrophobicContact CE1-CB 4.06Å; Y32-V51 HydrophobicContact CE1-CG1 3.72Å; Y32-V51 HydrophobicContact CE2-CG1 4.03Å; I35-V51 HydrophobicContact CD1-CB 4.49Å; I35-V51 HydrophobicContact CD1-CG2 3.72Å; L47-V51 WeakPolarHBondContact O-CG2 3.11Å; L47-V51 PolarHBondContact O-N 3.23Å; R48-V51 PolarHBondContact O-N 3.1Å; R48-V51 VanDerWaalsContact O-N 3.11Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 2.63Å; V51-I54 CarbonylContact O-C 3.6Å; V51-I54 WeakPolarHBondContact O-CB 3.19Å; V51-I54 PolarHBondContact O-N 2.98Å; V51-I54 VanDerWaalsContact O-N 3.15Å; V51-E55 WeakPolarHBondContact O-CB 3.33Å; V51-E55 PolarHBondContact O-N 3.38Å |
| 52 | V | 81.7 | Confident | 77 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | Y32 R48 I54 E55 D56 | Y32-V52 WeakPolarHBondContact OH-CG2 3.48Å; R48-V52 WeakPolarHBondContact O-CG2 3.34Å; R48-V52 PolarHBondContact O-N 3.31Å; V52-I54 VanDerWaalsContact C-N 3.34Å; V52-I54 PolarHBondContact O-N 2.8Å; V52-E55 PolarHBondContact O-N 2.72Å; V52-D56 WeakPolarHBondContact O-CB 3.39Å; V52-D56 PolarHBondContact O-N 2.84Å |
| 53 | S | 79.2 | Confident | 75.2 | Confident | 72 Ų | 72 | 72 Ų | 72 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 112.8 | Q49 L50 V51 A57 | Q49-S53 VanDerWaalsContact O-CB 3.3Å; Q49-S53 WeakPolarHBondContact O-CB 3.47Å; Q49-S53 PolarHBondContact O-N 2.92Å; Q49-S53 VanDerWaalsContact O-N 3.1Å; L50-S53 WeakPolarHBondContact O-CB 3.04Å; L50-S53 PolarHBondContact O-N 3.46Å; V51-S53 VanDerWaalsContact C-N 3.31Å; V51-S53 PolarHBondContact O-N 2.63Å; S53-A57 WeakPolarHBondContact O-CB 3.29Å; S53-A57 PolarHBondContact O-N 3Å |
| 54 | I | 79.1 | Confident | 73.5 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70 | -46.3 | 173.6 | -70.9 | 164 | 0 | 0 | 0 | 110.4 | L50 V51 V52 A57 F58 | L50-I54 VanDerWaalsContact O-CG1 3.26Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 3.09Å; V51-I54 CarbonylContact O-C 3.6Å; V51-I54 WeakPolarHBondContact O-CB 3.19Å; V51-I54 PolarHBondContact O-N 2.98Å; V51-I54 VanDerWaalsContact O-N 3.15Å; V52-I54 VanDerWaalsContact C-N 3.34Å; V52-I54 PolarHBondContact O-N 2.8Å; I54-A57 WeakPolarHBondContact O-CB 3.29Å; I54-A57 PolarHBondContact O-N 3.35Å; I54-A57 VanDerWaalsContact O-N 3.1Å; I54-F58 HydrophobicContact CG2-CD2 3.74Å; I54-F58 HydrophobicContact CG2-CE2 3.85Å; I54-F58 WeakPolarHBondContact O-CD2 3.42Å; I54-F58 PolarHBondContact O-N 3.47Å |
| 55 | E | 74.7 | Confident | 71.8 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.7 | -50 | 176.4 | -174.4 | 158.3 | -151.4 | 0 | 0 | 110.4 | H25 I28 Y32 V51 V52 A57 F58 V59 | H25-E55 IonicContact CE1-OE1 3.39Å; H25-E55 IonicContact ND1-OE1 3.97Å; H25-E55 PolarHBondContact ND1-OE1 2.79Å; I28-E55 HydrophobicContact CD1-CB 3.93Å; I28-E55 HydrophobicContact CD1-CG 3.83Å; Y32-E55 PolarHBondContact OH-OE2 2.8Å; V51-E55 WeakPolarHBondContact O-CB 3.33Å; V51-E55 PolarHBondContact O-N 3.38Å; V52-E55 PolarHBondContact O-N 2.72Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 2.82Å; E55-F58 PolarHBondContact O-N 2.87Å; E55-V59 HydrophobicContact CG-CG2 4.02Å; E55-V59 WeakPolarHBondContact O-CB 3.3Å; E55-V59 WeakPolarHBondContact O-CG2 3.43Å; E55-V59 PolarHBondContact O-N 3.3Å |
| 56 | D | 67.6 | Low | 70.1 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -55.8 | -43.8 | 171.7 | -104.9 | -32.8 | 0 | 0 | 0 | 111.5 | V52 F58 V59 N60 | V52-D56 WeakPolarHBondContact O-CB 3.39Å; V52-D56 PolarHBondContact O-N 2.84Å; D56-F58 PolarHBondContact O-N 3.04Å; D56-V59 PolarHBondContact O-N 2.94Å; D56-N60 WeakPolarHBondContact CA-ND2 3.44Å; D56-N60 WeakPolarHBondContact O-CB 3.35Å; D56-N60 PolarHBondContact O-N 3.43Å; D56-N60 PolarHBondContact O-ND2 3.13Å; D56-N60 PolarHBondContact OD1-ND2 3.08Å |
| 57 | A | 68.4 | Low | 68.3 | Low | 54 Ų | 54 | 72.9 Ų | 72.9 | 45% | 0.446 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S53 I54 E55 S61 | S53-A57 WeakPolarHBondContact O-CB 3.29Å; S53-A57 PolarHBondContact O-N 3Å; I54-A57 WeakPolarHBondContact O-CB 3.29Å; I54-A57 PolarHBondContact O-N 3.35Å; I54-A57 VanDerWaalsContact O-N 3.1Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 2.82Å; A57-S61 WeakPolarHBondContact O-CB 3.33Å; A57-S61 PolarHBondContact O-N 3.5Å |
| 58 | F | 66.2 | Low | 66.8 | Low | 64 Ų | 64 | 78.5 Ų | 78.5 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.2 | -34.8 | 178.8 | -84.1 | -83.5 | 0 | 0 | 0 | 113.4 | I54 E55 D56 W64 | I54-F58 HydrophobicContact CG2-CD2 3.74Å; I54-F58 HydrophobicContact CG2-CE2 3.85Å; I54-F58 WeakPolarHBondContact O-CD2 3.42Å; I54-F58 PolarHBondContact O-N 3.47Å; E55-F58 PolarHBondContact O-N 2.87Å; D56-F58 PolarHBondContact O-N 3.04Å; F58-W64 HydrophobicContact CD1-CE3 4.09Å; F58-W64 HydrophobicContact CD1-CZ3 4.37Å; F58-W64 HydrophobicContact CE1-CD2 4.29Å; F58-W64 AromaticContact CE1-CE3 3.42Å; F58-W64 HydrophobicContact CE1-CE3 3.42Å; F58-W64 VanDerWaalsContact CE1-CE3 3.42Å; F58-W64 HydrophobicContact CE1-CH2 4.2Å; F58-W64 AromaticContact CE1-CZ3 3.37Å; F58-W64 HydrophobicContact CE1-CZ3 3.37Å; F58-W64 HydrophobicContact CZ-CE3 4.01Å; F58-W64 AromaticContact CZ-CH2 3.93Å; F58-W64 HydrophobicContact CZ-CH2 3.93Å; F58-W64 AromaticContact CZ-CZ3 3.46Å; F58-W64 HydrophobicContact CZ-CZ3 3.46Å; F58-W64 VanDerWaalsContact CZ-CZ3 3.46Å |
| 59 | V | 63.1 | Low | 65.4 | Low | 34 Ų | 34 | 77.9 Ų | 77.9 | 21% | 0.206 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -89.3 | -20.2 | -174.6 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | F21 E55 D56 R107 | F21-V59 HydrophobicContact CE2-CG2 4.33Å; E55-V59 HydrophobicContact CG-CG2 4.02Å; E55-V59 WeakPolarHBondContact O-CB 3.3Å; E55-V59 WeakPolarHBondContact O-CG2 3.43Å; E55-V59 PolarHBondContact O-N 3.3Å; D56-V59 PolarHBondContact O-N 2.94Å; V59-R107 HydrophobicContact CG1-CB 4.21Å; V59-R107 HydrophobicContact CG1-CG 4.13Å; V59-R107 PolarHBondContact O-NH1 2.84Å |
| 60 | N | 55.5 | Low | 64.3 | Low | 61 Ų | 61 | 73.1 Ų | 73.1 | 33% | 0.326 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -94.6 | -29.1 | 169.1 | -65.3 | -73.7 | 0 | 0 | 0 | 114 | D56 Q62 R107 | D56-N60 WeakPolarHBondContact CA-ND2 3.44Å; D56-N60 WeakPolarHBondContact O-CB 3.35Å; D56-N60 PolarHBondContact O-N 3.43Å; D56-N60 PolarHBondContact O-ND2 3.13Å; D56-N60 PolarHBondContact OD1-ND2 3.08Å; N60-Q62 PolarHBondContact O-N 3.22Å; N60-R107 VanDerWaalsContact OD1-CZ 3.25Å; N60-R107 PolarHBondContact OD1-NH1 2.93Å; N60-R107 PolarHBondContact OD1-NH2 3.04Å |
| 61 | S | 57.2 | Low | 63.6 | Low | 31 Ų | 31 | 70.2 Ų | 70.2 | 22% | 0.217 | 39% | 0.394 | C | S | . | . | trans | -76 | 103.6 | -170.1 | -167.7 | 0 | 0 | 0 | 0 | 113.7 | A57 E63 W64 T65 | A57-S61 WeakPolarHBondContact O-CB 3.33Å; A57-S61 PolarHBondContact O-N 3.5Å; S61-E63 PolarHBondContact O-N 3.12Å; S61-E63 PolarHBondContact OG-N 3.48Å; S61-W64 VanDerWaalsContact OG-CD1 3.22Å; S61-T65 WeakPolarHBondContact O-CG2 3.38Å | ||
| 62 | Q | 49.7 | Very low | 63.3 | Low | 101 Ų | 101 | 70.5 Ų | 70.5 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -60.6 | -22.9 | 171.6 | -172.3 | 171.3 | -31.7 | 0 | 0 | 112.5 | N60 T65 L66 | N60-Q62 PolarHBondContact O-N 3.22Å; Q62-T65 PolarHBondContact O-N 2.89Å; Q62-T65 PolarHBondContact O-OG1 3.31Å; Q62-L66 HydrophobicContact CG-CD1 3.83Å |
| 63 | E | 49.8 | Very low | 63.6 | Low | 173 Ų | 173 | 67.7 Ų | 67.7 | 81% | 0.808 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -77.2 | -24.4 | -173.7 | -57.8 | -170.2 | 162.6 | 0 | 0 | 114 | S61 T65 | S61-E63 PolarHBondContact O-N 3.12Å; S61-E63 PolarHBondContact OG-N 3.48Å; E63-T65 VanDerWaalsContact C-N 3.26Å; E63-T65 PolarHBondContact O-N 3.28Å |
| 64 | W | 51.6 | Low | 64.2 | Low | 154 Ų | 154 | 65.9 Ų | 65.9 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -83.6 | -4.5 | 179 | -67.3 | 54.5 | 0 | 0 | 0 | 112.5 | R20 F58 S61 | R20-W64 VanDerWaalsContact CZ-O 3.24Å; R20-W64 PolarHBondContact NH2-O 3.02Å; F58-W64 HydrophobicContact CD1-CE3 4.09Å; F58-W64 HydrophobicContact CD1-CZ3 4.37Å; F58-W64 HydrophobicContact CE1-CD2 4.29Å; F58-W64 AromaticContact CE1-CE3 3.42Å; F58-W64 HydrophobicContact CE1-CE3 3.42Å; F58-W64 VanDerWaalsContact CE1-CE3 3.42Å; F58-W64 HydrophobicContact CE1-CH2 4.2Å; F58-W64 AromaticContact CE1-CZ3 3.37Å; F58-W64 HydrophobicContact CE1-CZ3 3.37Å; F58-W64 HydrophobicContact CZ-CE3 4.01Å; F58-W64 AromaticContact CZ-CH2 3.93Å; F58-W64 HydrophobicContact CZ-CH2 3.93Å; F58-W64 AromaticContact CZ-CZ3 3.46Å; F58-W64 HydrophobicContact CZ-CZ3 3.46Å; F58-W64 VanDerWaalsContact CZ-CZ3 3.46Å; S61-W64 VanDerWaalsContact OG-CD1 3.22Å |
| 65 | T | 52.5 | Low | 64.9 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -120.5 | -4.9 | -160.2 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | E17 S61 Q62 E63 | E17-T65 VanDerWaalsContact CD-O 3.3Å; E17-T65 VanDerWaalsContact CG-O 3.29Å; E17-T65 WeakPolarHBondContact CG-O 3.31Å; E17-T65 VanDerWaalsContact OE1-CA 3.32Å; E17-T65 WeakPolarHBondContact OE1-CA 3.45Å; E17-T65 WeakPolarHBondContact OE1-CB 3.39Å; E17-T65 VanDerWaalsContact OE1-CG2 3.23Å; E17-T65 WeakPolarHBondContact OE1-CG2 3.41Å; S61-T65 WeakPolarHBondContact O-CG2 3.38Å; Q62-T65 PolarHBondContact O-N 2.89Å; Q62-T65 PolarHBondContact O-OG1 3.31Å; E63-T65 VanDerWaalsContact C-N 3.26Å; E63-T65 PolarHBondContact O-N 3.28Å |
| 66 | L | 51.3 | Low | 65.7 | Low | 45 Ų | 45 | 59.8 Ų | 59.8 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | trans | -143.4 | 121.7 | -170.7 | -71.6 | 171.1 | 0 | 0 | 0 | 111.9 | Q62 V70 L120 | Q62-L66 HydrophobicContact CG-CD1 3.83Å; L66-V70 HydrophobicContact CD2-CB 3.94Å; L66-V70 HydrophobicContact CD2-CG1 4.17Å; L66-L120 HydrophobicContact CD2-CD2 3.99Å | ||
| 67 | S | 51.2 | Low | 67 | Low | 81 Ų | 81 | 55.8 Ų | 55.8 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | trans | -68.7 | 140.7 | 146.5 | 65.8 | 0 | 0 | 0 | 0 | 108.1 | G69 V70 | S67-G69 PolarHBondContact O-N 2.76Å; S67-V70 PolarHBondContact O-N 3.46Å | ||
| 68 | N | 56.1 | Low | 68.3 | Low | 178 Ų | 178 | 53.2 Ų | 53.2 | 95% | 0.952 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 12.8 | -169.1 | -74.9 | -57.7 | 0 | 0 | 0 | 115.9 | ||
| 69 | G | 59.1 | Low | 69.5 | Low | 61 Ų | 61 | 50.2 Ų | 50.2 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -11.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S67 | S67-G69 PolarHBondContact O-N 2.76Š|
| 70 | V | 64.8 | Low | 70.8 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | trans | -84.1 | 125.2 | -175 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | A13 I14 L66 S67 G72 L120 | A13-V70 HydrophobicContact CB-CG2 4.47Å; I14-V70 HydrophobicContact CD1-CG1 4.02Å; I14-V70 HydrophobicContact CG1-CG1 3.58Å; L66-V70 HydrophobicContact CD2-CB 3.94Å; L66-V70 HydrophobicContact CD2-CG1 4.17Å; S67-V70 PolarHBondContact O-N 3.46Å; V70-G72 PolarHBondContact O-N 2.65Å; V70-L120 HydrophobicContact CG1-CB 4.04Å | ||
| 71 | P | 72.2 | Confident | 72.4 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 29% | 0.286 | 27% | 0.272 | S | S | . | . | trans | -80.2 | 102.4 | 179.3 | 31.8 | -33.5 | 0 | 0 | 0 | 111.7 | H119 L120 | P71-H119 WeakPolarHBondContact O-CA 3.47Å; P71-L120 PolarHBondContact O-N 2.93Å; P71-L120 VanDerWaalsContact O-N 3.09Å | ||
| 72 | G | 78.2 | Confident | 73.7 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 19% | 0.186 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 150.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V70 L120 R234 | V70-G72 PolarHBondContact O-N 2.65Å; G72-L120 CarbonylContact C-O 3.58Å; G72-L120 VanDerWaalsContact CA-O 3.29Å; G72-L120 WeakPolarHBondContact CA-O 3.39Å; G72-R234 VanDerWaalsContact O-CZ 3.29Å; G72-R234 PolarHBondContact O-NH1 3.37Å; G72-R234 PolarHBondContact O-NH2 3.47Å |
| 73 | I | 88.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.3 | 172.6 | -64 | 173.8 | 0 | 0 | 0 | 107.9 | L112 H119 L120 L121 L122 C227 I230 L231 | I73-L112 HydrophobicContact CD1-CD2 4.2Å; I73-H119 HydrophobicContact CD1-CB 3.89Å; I73-H119 HydrophobicContact CG1-CB 4.39Å; I73-L120 PolarHBondContact N-O 2.73Å; I73-L121 HydrophobicContact CB-CD1 4.19Å; I73-L121 HydrophobicContact CG2-CD1 3.91Å; I73-L122 PolarHBondContact O-N 2.97Å; I73-C227 HydrophobicContact CD1-CB 4.32Å; I73-I230 HydrophobicContact CG2-CB 4.43Å; I73-I230 HydrophobicContact CG2-CD1 3.7Å; I73-I230 HydrophobicContact CG2-CG2 4.1Å; I73-L231 HydrophobicContact CD1-CD1 4.18Å; I73-L231 HydrophobicContact CD1-CD2 4.03Å; I73-L231 HydrophobicContact CD1-CG 4.07Å; I73-L231 HydrophobicContact CG1-CD2 4.41Å |
| 74 | K | 90.4 | Very high | 77.5 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.8 | -177.9 | -61.5 | 176.9 | 175.4 | -168.5 | 0 | 111.5 | L122 W137 D139 G140 | K74-L122 HydrophobicContact CG-CB 4.44Å; K74-L122 HydrophobicContact CG-CD1 4.05Å; K74-W137 HydrophobicContact CB-CD2 4.22Å; K74-W137 HydrophobicContact CB-CE3 4.01Å; K74-W137 HydrophobicContact CB-CH2 3.85Å; K74-W137 HydrophobicContact CB-CZ2 4.08Å; K74-W137 HydrophobicContact CB-CZ3 3.82Å; K74-W137 HydrophobicContact CD-CD2 3.88Å; K74-W137 HydrophobicContact CD-CE3 4.49Å; K74-W137 HydrophobicContact CD-CG 4.12Å; K74-W137 HydrophobicContact CD-CZ2 4.14Å; K74-W137 WeakPolarHBondContact CD-O 3.46Å; K74-W137 HydrophobicContact CG-CD2 4.35Å; K74-W137 HydrophobicContact CG-CH2 4.18Å; K74-W137 HydrophobicContact CG-CZ2 3.9Å; K74-D139 HydrophobicContact CB-CB 4.45Å; K74-D139 VanDerWaalsContact CB-OD2 3.29Å; K74-D139 WeakPolarHBondContact CB-OD2 3.07Å; K74-D139 PolarHBondContact N-OD2 3.47Å; K74-D139 WeakPolarHBondContact O-CA 3.45Å; K74-D139 WeakPolarHBondContact O-CB 3.27Å; K74-D139 PolarHBondContact O-N 3.34Å; K74-G140 PolarHBondContact O-N 2.78Å |
| 75 | L | 93.7 | Very high | 79.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.8 | -176.1 | -175.7 | 63.5 | 0 | 0 | 0 | 110.5 | L121 L122 I123 R124 I142 F223 A226 I230 | L75-L121 HydrophobicContact CB-CD1 3.92Å; L75-L121 HydrophobicContact CD2-CD1 4.29Å; L75-L122 PolarHBondContact N-O 2.89Å; L75-I123 WeakPolarHBondContact O-CA 3.46Å; L75-R124 PolarHBondContact O-N 2.97Å; L75-I142 HydrophobicContact CD1-CD1 4.13Å; L75-I142 HydrophobicContact CD1-CG1 4.15Å; L75-I142 HydrophobicContact CD2-CD1 3.96Å; L75-I142 HydrophobicContact CG-CD1 4.29Å; L75-F223 HydrophobicContact CD2-CD1 3.52Å; L75-F223 HydrophobicContact CD2-CE1 3.87Å; L75-A226 HydrophobicContact CD1-CB 3.87Å; L75-A226 HydrophobicContact CD2-CB 4.36Å; L75-I230 HydrophobicContact CD1-CD1 4.24Å |
| 76 | G | 93 | Very high | 81.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 144 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R124 G140 V141 I142 | G76-R124 CarbonylContact C-O 3.6Å; G76-R124 WeakPolarHBondContact CA-O 3.47Å; G76-G140 PolarHBondContact N-O 2.95Å; G76-V141 WeakPolarHBondContact O-CA 3.37Å; G76-I142 PolarHBondContact O-N 3.16Å |
| 77 | L | 94.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 138.2 | 166.4 | -67.2 | 93.4 | 0 | 0 | 0 | 110.3 | V89 I123 R124 E126 I142 V144 F223 | L77-V89 HydrophobicContact CD1-CG2 3.7Å; L77-V89 HydrophobicContact CD2-CG2 3.56Å; L77-V89 HydrophobicContact CG-CG2 4.24Å; L77-I123 HydrophobicContact CD1-CG2 3.4Å; L77-I123 VanDerWaalsContact CD1-CG2 3.4Å; L77-R124 PolarHBondContact N-O 3.35Å; L77-E126 PolarHBondContact O-N 2.72Å; L77-I142 WeakPolarHBondContact CA-O 3.48Å; L77-I142 HydrophobicContact CG-CB 4.3Å; L77-V144 HydrophobicContact CD2-CG2 4.12Å; L77-F223 HydrophobicContact CD1-CE1 4.38Å; L77-F223 HydrophobicContact CD2-CZ 4.28Å |
| 78 | L | 94.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.4 | 179.2 | -69.9 | -176.8 | 0 | 0 | 0 | 110.4 | E126 P130 F134 V141 I142 F143 V144 Y159 | L78-E126 HydrophobicContact CD2-CB 3.97Å; L78-E126 HydrophobicContact CD2-CG 4.02Å; L78-P130 HydrophobicContact CD1-CB 3.97Å; L78-P130 HydrophobicContact CD1-CG 3.84Å; L78-P130 HydrophobicContact CD2-CB 4.04Å; L78-P130 HydrophobicContact CD2-CG 4.36Å; L78-F134 HydrophobicContact CD1-CE1 3.85Å; L78-F134 HydrophobicContact CD1-CZ 4.26Å; L78-F134 HydrophobicContact CD2-CD1 4.45Å; L78-F134 HydrophobicContact CD2-CE1 3.78Å; L78-F134 HydrophobicContact CD2-CE2 4.26Å; L78-F134 HydrophobicContact CD2-CZ 3.65Å; L78-F134 HydrophobicContact CG-CE1 3.85Å; L78-F134 HydrophobicContact CG-CZ 3.74Å; L78-V141 HydrophobicContact CB-CG1 4.45Å; L78-V141 HydrophobicContact CD1-CG1 3.89Å; L78-V141 HydrophobicContact CG-CG1 4.07Å; L78-I142 PolarHBondContact N-O 3.28Å; L78-F143 HydrophobicContact CB-CD1 3.8Å; L78-F143 HydrophobicContact CB-CE1 3.82Å; L78-F143 HydrophobicContact CD1-CD1 4.39Å; L78-F143 HydrophobicContact CD1-CE1 3.58Å; L78-F143 HydrophobicContact CD1-CZ 3.8Å; L78-F143 HydrophobicContact CG-CE1 4.36Å; L78-F143 CarbonylContact O-C 3.54Å; L78-F143 VanDerWaalsContact O-CA 3.3Å; L78-F143 WeakPolarHBondContact O-CA 3.37Å; L78-V144 PolarHBondContact O-N 3.04Å; L78-Y159 HydrophobicContact CB-CD2 4.26Å |
| 79 | G | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | 177.6 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V144 Y159 | G79-V144 WeakPolarHBondContact CA-O 3.32Å; G79-Y159 WeakPolarHBondContact O-CE2 3.17Å | ||
| 80 | S | 90.6 | Very high | 87.8 | Confident | 18 Ų | 18 | 15 Ų | 15 | 13% | 0.126 | 9% | 0.09 | C | C | . | . | trans | -67.9 | 163.7 | 168.7 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | Q82 S83 S152 | S80-Q82 PolarHBondContact O-N 3.15Å; S80-S83 WeakPolarHBondContact O-CB 3.5Å; S80-S83 PolarHBondContact O-N 3.35Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.85Å; S80-S152 WeakPolarHBondContact OG-CA 3.34Å; S80-S152 WeakPolarHBondContact OG-CB 3.34Å | ||
| 81 | V | 87.8 | Confident | 89 | Confident | 45 Ų | 45 | 16.4 Ų | 16.4 | 27% | 0.273 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -55 | -42.2 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | S83 E101 P103 | V81-S83 PolarHBondContact O-N 3.33Å; V81-E101 HydrophobicContact CG1-CB 4.02Å; V81-P103 HydrophobicContact CG1-CB 4.32Å; V81-P103 HydrophobicContact CG2-CB 4.37Å |
| 82 | Q | 85.9 | Confident | 89.9 | Confident | 99 Ų | 99 | 14.6 Ų | 14.6 | 46% | 0.463 | 8% | 0.08 | S | C | . | . | G | 310 helix | trans | -81.5 | 20.6 | 178.5 | -60.9 | 171.2 | -4.4 | 0 | 0 | 114.9 | S80 E101 N149 | S80-Q82 PolarHBondContact O-N 3.15Å; Q82-E101 WeakPolarHBondContact CA-OE1 3.3Å; Q82-N149 PolarHBondContact OE1-ND2 3.2Å |
| 83 | S | 89.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -87.1 | -7.9 | 178.5 | 62.4 | 0 | 0 | 0 | 0 | 114 | S80 V81 K85 V144 T179 | S80-S83 WeakPolarHBondContact O-CB 3.5Å; S80-S83 PolarHBondContact O-N 3.35Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.85Å; V81-S83 PolarHBondContact O-N 3.33Å; S83-K85 PolarHBondContact O-N 2.82Å; S83-K85 WeakPolarHBondContact OG-CB 3.31Å; S83-K85 WeakPolarHBondContact OG-CG 3.29Å; S83-K85 PolarHBondContact OG-N 3.48Å; S83-V144 WeakPolarHBondContact CB-O 3.4Å; S83-V144 WeakPolarHBondContact O-CG1 3.39Å; S83-T179 WeakPolarHBondContact O-CG2 3.45Å; S83-T179 PolarHBondContact O-OG1 3.06Å |
| 84 | G | 88.1 | Confident | 90.1 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 13% | 0.134 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 74.4 | 6.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S86 A87 L88 | G84-S86 VanDerWaalsContact C-N 3.28Å; G84-S86 PolarHBondContact O-N 3.45Å; G84-A87 PolarHBondContact O-N 3.33Å; G84-L88 WeakPolarHBondContact O-CB 3.3Å; G84-L88 PolarHBondContact O-N 3.3Å |
| 85 | K | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -49.5 | -43.6 | 179.3 | 65.4 | -172.3 | -175.5 | 69.6 | 0 | 113.6 | S83 L88 V89 S102 D125 E126 V144 | S83-K85 PolarHBondContact O-N 2.82Å; S83-K85 WeakPolarHBondContact OG-CB 3.31Å; S83-K85 WeakPolarHBondContact OG-CG 3.29Å; S83-K85 PolarHBondContact OG-N 3.48Å; K85-L88 PolarHBondContact O-N 3.02Å; K85-V89 WeakPolarHBondContact O-CG2 3.38Å; K85-V89 PolarHBondContact O-N 3.03Å; K85-V89 VanDerWaalsContact O-N 3.12Å; K85-S102 PolarHBondContact NZ-O 3Å; K85-D125 VanDerWaalsContact CD-OD1 3.25Å; K85-D125 WeakPolarHBondContact CD-OD1 3.42Å; K85-D125 WeakPolarHBondContact CG-OD1 3.47Å; K85-D125 IonicContact NZ-OD1 2.72Å; K85-D125 PolarHBondContact NZ-OD1 3.31Å; K85-D125 IonicContact NZ-OD2 2.69Å; K85-D125 PolarHBondContact NZ-OD2 2.88Å; K85-E126 WeakPolarHBondContact CE-O 3.37Å; K85-E126 PolarHBondContact NZ-O 3.49Å; K85-V144 HydrophobicContact CB-CB 4.11Å; K85-V144 HydrophobicContact CB-CG1 4.37Å; K85-V144 HydrophobicContact CB-CG2 4.14Å |
| 86 | S | 90.1 | Very high | 89.1 | Confident | 8 Ų | 8 | 21.6 Ų | 21.6 | 6% | 0.056 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -78 | -41.8 | -174.7 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | G84 L88 V89 H90 S102 D125 | G84-S86 VanDerWaalsContact C-N 3.28Å; G84-S86 PolarHBondContact O-N 3.45Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.06Å; S86-V89 PolarHBondContact O-N 3.01Å; S86-H90 WeakPolarHBondContact O-CB 3.49Å; S86-H90 PolarHBondContact O-N 2.82Å; S86-S102 WeakPolarHBondContact CB-OG 3.19Å; S86-S102 WeakPolarHBondContact OG-CB 2.99Å; S86-S102 PolarHBondContact OG-N 2.79Å; S86-D125 PolarHBondContact OG-OD2 3.34Å |
| 87 | A | 88.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -37.8 | 169 | 0 | 0 | 0 | 0 | 0 | 113.4 | G84 H90 R91 Y97 V98 D100 A213 | G84-A87 PolarHBondContact O-N 3.33Å; A87-H90 PolarHBondContact O-N 2.85Å; A87-R91 WeakPolarHBondContact O-CB 3.37Å; A87-R91 PolarHBondContact O-N 2.92Å; A87-Y97 HydrophobicContact CB-CE2 4.13Å; A87-V98 VanDerWaalsContact CB-O 3.28Å; A87-V98 WeakPolarHBondContact CB-O 3.25Å; A87-D100 PolarHBondContact N-O 3.22Å; A87-A213 HydrophobicContact CB-CB 4.34Å |
| 88 | L | 91.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 175.2 | -179.8 | 66.8 | 0 | 0 | 0 | 111.8 | G84 K85 S86 Y92 V144 V177 T211 V219 F223 | G84-L88 WeakPolarHBondContact O-CB 3.3Å; G84-L88 PolarHBondContact O-N 3.3Å; K85-L88 PolarHBondContact O-N 3.02Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.06Å; L88-Y92 PolarHBondContact O-N 3.42Å; L88-Y92 VanDerWaalsContact O-N 3.12Å; L88-V144 HydrophobicContact CD2-CG1 4.32Å; L88-V144 HydrophobicContact CD2-CG2 4.17Å; L88-V177 HydrophobicContact CD2-CG1 4Å; L88-T211 HydrophobicContact CD1-CG2 4.34Å; L88-V219 HydrophobicContact CD1-CB 4.26Å; L88-V219 HydrophobicContact CD1-CG1 3.92Å; L88-V219 HydrophobicContact CD1-CG2 3.78Å; L88-F223 HydrophobicContact CG-CE2 4.25Å |
| 89 | V | 91.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -47.2 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L77 K85 S86 R91 Y92 L93 F108 I123 F223 | L77-V89 HydrophobicContact CD1-CG2 3.7Å; L77-V89 HydrophobicContact CD2-CG2 3.56Å; L77-V89 HydrophobicContact CG-CG2 4.24Å; K85-V89 WeakPolarHBondContact O-CG2 3.38Å; K85-V89 PolarHBondContact O-N 3.03Å; K85-V89 VanDerWaalsContact O-N 3.12Å; S86-V89 PolarHBondContact O-N 3.01Å; V89-R91 VanDerWaalsContact C-N 3.26Å; V89-R91 PolarHBondContact O-N 2.87Å; V89-Y92 PolarHBondContact O-N 3.39Å; V89-Y92 VanDerWaalsContact O-N 3.12Å; V89-L93 HydrophobicContact CG1-CD1 3.67Å; V89-L93 HydrophobicContact CG1-CG 4.15Å; V89-L93 WeakPolarHBondContact O-CG 3.32Å; V89-L93 PolarHBondContact O-N 3.21Å; V89-F108 HydrophobicContact CG1-CD2 3.66Å; V89-F108 HydrophobicContact CG1-CE2 3.64Å; V89-F108 HydrophobicContact CG1-CG 4.31Å; V89-F108 HydrophobicContact CG1-CZ 4.26Å; V89-I123 HydrophobicContact CG1-CG2 4.33Å; V89-I123 HydrophobicContact CG2-CG2 4.34Å; V89-F223 HydrophobicContact CG2-CZ 4.11Å |
| 90 | H | 85.2 | Confident | 85.4 | Confident | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.1 | -47.1 | 175 | -175 | -60.4 | 0 | 0 | 0 | 110.8 | S86 A87 Y92 L93 T94 A96 V98 D100 L901 | S86-H90 WeakPolarHBondContact O-CB 3.49Å; S86-H90 PolarHBondContact O-N 2.82Å; A87-H90 PolarHBondContact O-N 2.85Å; H90-Y92 PolarHBondContact O-N 3.49Å; H90-L93 PolarHBondContact O-N 3.23Å; H90-T94 PolarHBondContact CE1-OG1 2.87Å; H90-T94 PolarHBondContact ND1-OG1 3.44Å; H90-T94 VanDerWaalsContact ND1-OG1 3.11Å; H90-T94 WeakPolarHBondContact O-CB 3.21Å; H90-T94 PolarHBondContact O-N 3.03Å; H90-T94 PolarHBondContact O-OG1 3.46Å; H90-A96 PolarHBondContact ND1-O 3.3Å; H90-V98 WeakPolarHBondContact CE1-CG2 3.41Å; H90-V98 VanDerWaalsContact NE2-CG2 3.33Å; H90-V98 WeakPolarHBondContact NE2-CG2 3.27Å; H90-D100 IonicContact CD2-OD2 2.69Å; H90-D100 PolarHBondContact CD2-OD2 2.97Å; H90-D100 IonicContact CG-OD2 2.78Å; H90-D100 IonicContact NE2-OD2 3.14Å; H90-L901 WeakPolarHBondContact NE2-CG 3.19Å |
| 91 | R | 89.4 | Confident | 84.3 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 179.8 | -174.8 | 61.8 | -173.8 | -118.5 | 13.7 | 113.1 | A87 V89 G95 A96 A213 A214 V219 | A87-R91 WeakPolarHBondContact O-CB 3.37Å; A87-R91 PolarHBondContact O-N 2.92Å; V89-R91 VanDerWaalsContact C-N 3.26Å; V89-R91 PolarHBondContact O-N 2.87Å; R91-G95 WeakPolarHBondContact CD-O 3.39Å; R91-G95 VanDerWaalsContact CZ-O 3.25Å; R91-G95 PolarHBondContact NE-O 2.9Å; R91-G95 PolarHBondContact NH2-O 3.47Å; R91-G95 VanDerWaalsContact O-CA 3.28Å; R91-G95 WeakPolarHBondContact O-CA 3.47Å; R91-G95 PolarHBondContact O-N 2.91Å; R91-A96 WeakPolarHBondContact CA-O 3.39Å; R91-A96 VanDerWaalsContact CD-C 3.42Å; R91-A96 WeakPolarHBondContact CD-O 3.38Å; R91-A213 HydrophobicContact CB-CB 4.11Å; R91-A213 VanDerWaalsContact CD-O 3.31Å; R91-A213 WeakPolarHBondContact CD-O 3.36Å; R91-A213 WeakPolarHBondContact CG-O 3.41Å; R91-A213 PolarHBondContact NH1-O 2.97Å; R91-A214 PolarHBondContact NH1-O 2.82Å; R91-V219 HydrophobicContact CB-CG1 4.34Å; R91-V219 HydrophobicContact CG-CG1 4.22Å; R91-V219 HydrophobicContact CG-CG2 4.17Å |
| 92 | Y | 91.6 | Very high | 83.6 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.8 | -34.7 | 176.1 | 174.7 | -114.6 | 0 | 0 | 0 | 113.3 | L88 V89 H90 K110 L121 I123 E220 F223 | L88-Y92 PolarHBondContact O-N 3.42Å; L88-Y92 VanDerWaalsContact O-N 3.12Å; V89-Y92 PolarHBondContact O-N 3.39Å; V89-Y92 VanDerWaalsContact O-N 3.12Å; H90-Y92 PolarHBondContact O-N 3.49Å; Y92-K110 HydrophobicContact CD1-CD 4.31Å; Y92-K110 HydrophobicContact CE1-CD 3.7Å; Y92-K110 PolarHBondContact O-NZ 3.07Å; Y92-L121 HydrophobicContact CE1-CD2 3.73Å; Y92-L121 WeakPolarHBondContact OH-CD2 3.44Å; Y92-I123 HydrophobicContact CD1-CD1 3.92Å; Y92-I123 HydrophobicContact CE1-CD1 3.85Å; Y92-E220 VanDerWaalsContact CD2-OE2 3.27Å; Y92-E220 WeakPolarHBondContact CD2-OE2 3.35Å; Y92-E220 WeakPolarHBondContact CE2-OE2 3.45Å; Y92-F223 VanDerWaalsContact CB-CE2 3.47Å; Y92-F223 HydrophobicContact CD1-CB 4.22Å; Y92-F223 AromaticContact CD1-CD1 3.54Å; Y92-F223 HydrophobicContact CD1-CD1 3.54Å; Y92-F223 AromaticContact CD1-CD2 3.78Å; Y92-F223 HydrophobicContact CD1-CD2 3.78Å; Y92-F223 AromaticContact CD1-CE1 3.75Å; Y92-F223 HydrophobicContact CD1-CE1 3.75Å; Y92-F223 AromaticContact CD1-CE2 3.98Å; Y92-F223 HydrophobicContact CD1-CE2 3.98Å; Y92-F223 AromaticContact CD1-CG 3.57Å; Y92-F223 HydrophobicContact CD1-CG 3.57Å; Y92-F223 AromaticContact CD1-CZ 3.96Å; Y92-F223 HydrophobicContact CD1-CZ 3.96Å; Y92-F223 HydrophobicContact CD2-CB 3.83Å; Y92-F223 AromaticContact CD2-CD2 3.63Å; Y92-F223 HydrophobicContact CD2-CD2 3.63Å; Y92-F223 HydrophobicContact CD2-CE2 4.35Å; Y92-F223 AromaticContact CD2-CG 3.76Å; Y92-F223 HydrophobicContact CD2-CG 3.76Å; Y92-F223 HydrophobicContact CE1-CB 3.89Å; Y92-F223 AromaticContact CE1-CD1 3.57Å; Y92-F223 HydrophobicContact CE1-CD1 3.57Å; Y92-F223 HydrophobicContact CE1-CD2 4.32Å; Y92-F223 HydrophobicContact CE1-CE1 4.16Å; Y92-F223 AromaticContact CE1-CG 3.67Å; Y92-F223 HydrophobicContact CE1-CG 3.67Å; Y92-F223 HydrophobicContact CE2-CB 3.46Å; Y92-F223 VanDerWaalsContact CE2-CB 3.46Å; Y92-F223 HydrophobicContact CE2-CD2 4.19Å; Y92-F223 AromaticContact CE2-CG 3.85Å; Y92-F223 HydrophobicContact CE2-CG 3.85Å; Y92-F223 HydrophobicContact CG-CB 4.18Å; Y92-F223 HydrophobicContact CG-CD1 4.05Å; Y92-F223 AromaticContact CG-CD2 3.38Å; Y92-F223 HydrophobicContact CG-CD2 3.38Å; Y92-F223 HydrophobicContact CG-CE1 4.3Å; Y92-F223 AromaticContact CG-CE2 3.67Å; Y92-F223 HydrophobicContact CG-CE2 3.67Å; Y92-F223 AromaticContact CG-CG 3.6Å; Y92-F223 HydrophobicContact CG-CG 3.6Å; Y92-F223 HydrophobicContact CG-CZ 4.13Å; Y92-F223 VanDerWaalsContact CZ-CB 3.48Å; Y92-F223 AromaticContact CZ-CG 3.8Å |
| 93 | L | 89.1 | Confident | 82.8 | Confident | 45 Ų | 45 | 31.8 Ų | 31.8 | 24% | 0.236 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -75.1 | -44.6 | 178.9 | -66.9 | 174 | 0 | 0 | 0 | 112.1 | V89 H90 F108 K110 I123 | V89-L93 HydrophobicContact CG1-CD1 3.67Å; V89-L93 HydrophobicContact CG1-CG 4.15Å; V89-L93 WeakPolarHBondContact O-CG 3.32Å; V89-L93 PolarHBondContact O-N 3.21Å; H90-L93 PolarHBondContact O-N 3.23Å; L93-F108 HydrophobicContact CD1-CB 3.69Å; L93-F108 HydrophobicContact CD1-CD1 3.44Å; L93-F108 VanDerWaalsContact CD1-CD1 3.44Å; L93-F108 HydrophobicContact CD1-CD2 4.16Å; L93-F108 HydrophobicContact CD1-CE1 4.07Å; L93-F108 HydrophobicContact CD1-CG 3.48Å; L93-F108 VanDerWaalsContact CD1-CG 3.48Å; L93-F108 HydrophobicContact CD2-CB 4.23Å; L93-K110 HydrophobicContact CD2-CB 4.21Å; L93-K110 HydrophobicContact CD2-CD 4.15Å; L93-I123 HydrophobicContact CD2-CD1 4.03Å |
| 94 | T | 82 | Confident | 81.6 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -106.8 | -16.9 | -168 | 64.8 | 0 | 0 | 0 | 0 | 115.4 | H90 A96 L901 | H90-T94 PolarHBondContact CE1-OG1 2.87Å; H90-T94 PolarHBondContact ND1-OG1 3.44Å; H90-T94 VanDerWaalsContact ND1-OG1 3.11Å; H90-T94 WeakPolarHBondContact O-CB 3.21Å; H90-T94 PolarHBondContact O-N 3.03Å; H90-T94 PolarHBondContact O-OG1 3.46Å; T94-A96 PolarHBondContact O-N 2.93Å; T94-A96 PolarHBondContact OG1-N 3.16Å; T94-A96 PolarHBondContact OG1-O 3.39Å; T94-L901 HydrophobicContact CG2-CD1 3.81Å; T94-L901 HydrophobicContact CG2-CD2 3.83Å; T94-L901 HydrophobicContact CG2-CG 3.72Å |
| 95 | G | 83 | Confident | 81.1 | Confident | 49 Ų | 49 | 40.8 Ų | 40.8 | 51% | 0.505 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 72.2 | -4.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R91 | R91-G95 WeakPolarHBondContact CD-O 3.39Å; R91-G95 VanDerWaalsContact CZ-O 3.25Å; R91-G95 PolarHBondContact NE-O 2.9Å; R91-G95 PolarHBondContact NH2-O 3.47Å; R91-G95 VanDerWaalsContact O-CA 3.28Å; R91-G95 WeakPolarHBondContact O-CA 3.47Å; R91-G95 PolarHBondContact O-N 2.91Å |
| 96 | A | 79.8 | Confident | 80.4 | Confident | 44 Ų | 44 | 41.9 Ų | 41.9 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | trans | -104 | 145.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H90 R91 T94 | H90-A96 PolarHBondContact ND1-O 3.3Å; R91-A96 WeakPolarHBondContact CA-O 3.39Å; R91-A96 VanDerWaalsContact CD-C 3.42Å; R91-A96 WeakPolarHBondContact CD-O 3.38Å; T94-A96 PolarHBondContact O-N 2.93Å; T94-A96 PolarHBondContact OG1-N 3.16Å; T94-A96 PolarHBondContact OG1-O 3.39Å | ||
| 97 | Y | 79.7 | Confident | 80 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | trans | -86 | 134 | 170.5 | -179.3 | -133.2 | 0 | 0 | 0 | 111.2 | A87 H99 D181 A213 A214 | A87-Y97 HydrophobicContact CB-CE2 4.13Å; Y97-H99 PolarHBondContact OH-ND1 2.99Å; Y97-H99 VanDerWaalsContact OH-ND1 3.15Å; Y97-D181 HydrophobicContact CE2-CB 4.47Å; Y97-D181 PolarHBondContact OH-O 2.76Å; Y97-A213 WeakPolarHBondContact CB-O 3.47Å; Y97-A213 VanDerWaalsContact CD2-C 3.48Å; Y97-A213 HydrophobicContact CD2-CB 3.68Å; Y97-A213 HydrophobicContact CE2-CB 3.84Å; Y97-A214 HydrophobicContact CD1-CB 3.63Å; Y97-A214 HydrophobicContact CD2-CB 4.49Å; Y97-A214 HydrophobicContact CE1-CB 3.7Å; Y97-A214 VanDerWaalsContact CG-CA 3.46Å; Y97-A214 HydrophobicContact CG-CB 4.06Å | ||
| 98 | V | 72.9 | Confident | 79.7 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.055 | 26% | 0.26 | C | S | . | . | trans | -137.9 | 141 | 162.1 | -171.1 | 0 | 0 | 0 | 0 | 106.8 | A87 H90 D100 Y898 K900 | A87-V98 VanDerWaalsContact CB-O 3.28Å; A87-V98 WeakPolarHBondContact CB-O 3.25Å; H90-V98 WeakPolarHBondContact CE1-CG2 3.41Å; H90-V98 VanDerWaalsContact NE2-CG2 3.33Å; H90-V98 WeakPolarHBondContact NE2-CG2 3.27Å; V98-D100 VanDerWaalsContact CB-OD2 3.29Å; V98-D100 WeakPolarHBondContact CB-OD2 3.48Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.38Å; V98-D100 VanDerWaalsContact CG1-OD2 3.31Å; V98-D100 WeakPolarHBondContact CG1-OD2 3.38Å; V98-D100 PolarHBondContact O-N 3.33Å; V98-Y898 HydrophobicContact CG1-CD1 4.28Å; V98-K900 HydrophobicContact CB-CB 4.28Å; V98-K900 HydrophobicContact CG1-CB 3.81Å; V98-K900 HydrophobicContact CG1-CD 4.43Å; V98-K900 HydrophobicContact CG2-CB 3.41Å; V98-K900 VanDerWaalsContact CG2-CB 3.41Å; V98-K900 HydrophobicContact CG2-CD 3.85Å; V98-K900 HydrophobicContact CG2-CG 4.31Å | ||
| 99 | H | 77.1 | Confident | 79.4 | Confident | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.556 | 26% | 0.263 | S | S | * | . | trans | -82.5 | 70.1 | 174.9 | -171.1 | 72.6 | 0 | 0 | 0 | 109.2 | Y97 | Y97-H99 PolarHBondContact OH-ND1 2.99Å; Y97-H99 VanDerWaalsContact OH-ND1 3.15Å | ||
| 100 | D | 67 | Low | 79 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | trans | -96.5 | 122.8 | 180 | -66.8 | -37.4 | 0 | 0 | 0 | 110.5 | A87 H90 V98 | A87-D100 PolarHBondContact N-O 3.22Å; H90-D100 IonicContact CD2-OD2 2.69Å; H90-D100 PolarHBondContact CD2-OD2 2.97Å; H90-D100 IonicContact CG-OD2 2.78Å; H90-D100 IonicContact NE2-OD2 3.14Å; V98-D100 VanDerWaalsContact CB-OD2 3.29Å; V98-D100 WeakPolarHBondContact CB-OD2 3.48Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.38Å; V98-D100 VanDerWaalsContact CG1-OD2 3.31Å; V98-D100 WeakPolarHBondContact CG1-OD2 3.38Å; V98-D100 PolarHBondContact O-N 3.33Å | ||
| 101 | E | 68.8 | Low | 79 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | trans | -109.1 | 104.9 | 167.5 | -69.5 | -163.9 | 161.3 | 0 | 0 | 108.7 | V81 Q82 P103 | V81-E101 HydrophobicContact CG1-CB 4.02Å; Q82-E101 WeakPolarHBondContact CA-OE1 3.3Å; E101-P103 VanDerWaalsContact O-CD 3.26Å; E101-P103 WeakPolarHBondContact O-CD 3.38Å | ||
| 102 | S | 72.5 | Confident | 78.9 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | trans | -98.1 | 104.4 | -177.5 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | K85 S86 E104 G105 | K85-S102 PolarHBondContact NZ-O 3Å; S86-S102 WeakPolarHBondContact CB-OG 3.19Å; S86-S102 WeakPolarHBondContact OG-CB 2.99Å; S86-S102 PolarHBondContact OG-N 2.79Å; S102-E104 VanDerWaalsContact C-N 3.31Å; S102-E104 PolarHBondContact O-N 3.3Å; S102-G105 PolarHBondContact O-N 2.97Å | ||
| 103 | P | 68.2 | Low | 78.4 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -73.5 | -21 | -175.6 | 30.2 | -36.4 | 0 | 0 | 0 | 113.5 | V81 E101 G127 | V81-P103 HydrophobicContact CG1-CB 4.32Å; V81-P103 HydrophobicContact CG2-CB 4.37Å; E101-P103 VanDerWaalsContact O-CD 3.26Å; E101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-G127 VanDerWaalsContact O-CA 3.3Å; P103-G127 WeakPolarHBondContact O-CA 3.36Å |
| 104 | E | 65.1 | Low | 77.8 | Confident | 186 Ų | 186 | 52.3 Ų | 52.3 | 87% | 0.869 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -92 | -15.6 | 176.2 | -64.2 | 174.9 | 162.8 | 0 | 0 | 112.1 | S102 | S102-E104 VanDerWaalsContact C-N 3.31Å; S102-E104 PolarHBondContact O-N 3.3Å |
| 105 | G | 77.5 | Confident | 77.3 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.8 | -150 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S102 D125 | S102-G105 PolarHBondContact O-N 2.97Å; G105-D125 CarbonylContact C-O 3.57Å; G105-D125 WeakPolarHBondContact CA-O 3.39Å |
| 106 | G | 78.3 | Confident | 76.7 | Confident | 23 Ų | 23 | 61 Ų | 61 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | 162 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D125 | G106-D125 PolarHBondContact N-O 2.93Å; G106-D125 PolarHBondContact O-N 3.02Å |
| 107 | R | 80.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 64 Ų | 64 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.4 | 178.8 | -53.5 | -162.7 | -159.4 | 172.1 | 1.5 | 111.8 | V59 N60 I123 R124 | V59-R107 HydrophobicContact CG1-CB 4.21Å; V59-R107 HydrophobicContact CG1-CG 4.13Å; V59-R107 PolarHBondContact O-NH1 2.84Å; N60-R107 VanDerWaalsContact OD1-CZ 3.25Å; N60-R107 PolarHBondContact OD1-NH1 2.93Å; N60-R107 PolarHBondContact OD1-NH2 3.04Å; R107-I123 WeakPolarHBondContact CA-O 3.48Å; R107-R124 HydrophobicContact CG-CG 4.25Å |
| 108 | F | 84.2 | Confident | 76.4 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.8 | -168.2 | -44.6 | -86.6 | 0 | 0 | 0 | 111.7 | V89 L93 I123 D125 | V89-F108 HydrophobicContact CG1-CD2 3.66Å; V89-F108 HydrophobicContact CG1-CE2 3.64Å; V89-F108 HydrophobicContact CG1-CG 4.31Å; V89-F108 HydrophobicContact CG1-CZ 4.26Å; L93-F108 HydrophobicContact CD1-CB 3.69Å; L93-F108 HydrophobicContact CD1-CD1 3.44Å; L93-F108 VanDerWaalsContact CD1-CD1 3.44Å; L93-F108 HydrophobicContact CD1-CD2 4.16Å; L93-F108 HydrophobicContact CD1-CE1 4.07Å; L93-F108 HydrophobicContact CD1-CG 3.48Å; L93-F108 VanDerWaalsContact CD1-CG 3.48Å; L93-F108 HydrophobicContact CD2-CB 4.23Å; F108-I123 HydrophobicContact CB-CB 4.27Å; F108-I123 HydrophobicContact CD2-CB 4.33Å; F108-I123 HydrophobicContact CD2-CG2 4.29Å; F108-I123 PolarHBondContact N-O 3.32Å; F108-I123 PolarHBondContact O-N 3.31Å; F108-D125 HydrophobicContact CE2-CB 4.4Å |
| 109 | K | 83.7 | Confident | 76.9 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 7% | 0.074 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.2 | 176.4 | -59.4 | -172.5 | 179.9 | 163.6 | 0 | 109.4 | E17 I18 F21 L120 L121 L122 | E17-K109 IonicContact OE1-NZ 2.78Å; E17-K109 PolarHBondContact OE1-NZ 3.29Å; I18-K109 HydrophobicContact CG1-CB 3.95Å; F21-K109 HydrophobicContact CB-CD 3.75Å; F21-K109 HydrophobicContact CD1-CB 4.4Å; F21-K109 HydrophobicContact CD1-CD 3.8Å; F21-K109 HydrophobicContact CD1-CG 3.81Å; F21-K109 HydrophobicContact CD2-CD 4.19Å; F21-K109 HydrophobicContact CE1-CD 4.45Å; F21-K109 HydrophobicContact CE1-CG 4.12Å; F21-K109 HydrophobicContact CG-CD 3.64Å; F21-K109 HydrophobicContact CG-CG 4.19Å; K109-L120 HydrophobicContact CB-CD1 4.23Å; K109-L121 WeakPolarHBondContact CA-O 3.42Å; K109-L122 HydrophobicContact CD-CD2 4.16Å; K109-L122 HydrophobicContact CG-CD2 3.82Å |
| 110 | K | 84.7 | Confident | 77.2 | Confident | 50 Ų | 50 | 57 Ų | 57 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.3 | 175.2 | -173.4 | 174.1 | 173.2 | -174.5 | 0 | 110.2 | Y92 L93 L121 E220 | Y92-K110 HydrophobicContact CD1-CD 4.31Å; Y92-K110 HydrophobicContact CE1-CD 3.7Å; Y92-K110 PolarHBondContact O-NZ 3.07Å; L93-K110 HydrophobicContact CD2-CB 4.21Å; L93-K110 HydrophobicContact CD2-CD 4.15Å; K110-L121 PolarHBondContact N-O 2.82Å; K110-L121 WeakPolarHBondContact O-CB 3.36Å; K110-L121 PolarHBondContact O-N 3.35Å; K110-E220 IonicContact NZ-OE2 2.8Å |
| 111 | E | 85.3 | Confident | 78.3 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 124.6 | 167.5 | -177.2 | 176.8 | -157.1 | 0 | 0 | 108.6 | S11 I14 R15 I18 S118 | S11-E111 WeakPolarHBondContact CB-OE1 3.4Å; S11-E111 PolarHBondContact OG-OE1 2.64Å; I14-E111 HydrophobicContact CG2-CB 3.85Å; I14-E111 HydrophobicContact CG2-CG 3.97Å; R15-E111 IonicContact CZ-OE1 2.99Å; R15-E111 IonicContact CZ-OE2 2.9Å; R15-E111 IonicContact NE-OE2 2.66Å; R15-E111 PolarHBondContact NE-OE2 3.45Å; R15-E111 IonicContact NH2-OE1 3.46Å; R15-E111 PolarHBondContact NH2-OE1 2.64Å; R15-E111 IonicContact NH2-OE2 3.28Å; R15-E111 PolarHBondContact NH2-OE2 2.83Å; I18-E111 HydrophobicContact CD1-CB 4.09Å; E111-S118 WeakPolarHBondContact OE1-CB 3.27Å; E111-S118 PolarHBondContact OE1-OG 2.78Å |
| 112 | L | 85.4 | Confident | 79.2 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.9 | 178.2 | 177 | 65.7 | 0 | 0 | 0 | 109.9 | I73 L114 H119 L121 C227 | I73-L112 HydrophobicContact CD1-CD2 4.2Å; L112-L114 HydrophobicContact CD1-CG 4.28Å; L112-L114 HydrophobicContact CD2-CD1 3.79Å; L112-L114 HydrophobicContact CD2-CG 4.2Å; L112-L114 HydrophobicContact CG-CD1 4.18Å; L112-L114 HydrophobicContact CG-CG 4.02Å; L112-H119 PolarHBondContact N-O 2.6Å; L112-H119 PolarHBondContact O-N 3.38Å; L112-L121 HydrophobicContact CB-CB 4.1Å; L112-L121 HydrophobicContact CD2-CD2 4.42Å; L112-C227 HydrophobicContact CD2-CB 3.47Å; L112-C227 VanDerWaalsContact CD2-CB 3.47Å; L112-C227 VanDerWaalsContact CD2-SG 3.53Å |
| 113 | S | 81.8 | Confident | 80.1 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 60% | 0.601 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 106.7 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 114 | L | 77.7 | Confident | 81.1 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.3 | 170.6 | -68.6 | 175 | 0 | 0 | 0 | 109.1 | L112 N116 Q117 C227 L228 L231 | L112-L114 HydrophobicContact CD1-CG 4.28Å; L112-L114 HydrophobicContact CD2-CD1 3.79Å; L112-L114 HydrophobicContact CD2-CG 4.2Å; L112-L114 HydrophobicContact CG-CD1 4.18Å; L112-L114 HydrophobicContact CG-CG 4.02Å; L114-N116 PolarHBondContact O-N 2.9Å; L114-N116 VanDerWaalsContact O-N 3.1Å; L114-Q117 PolarHBondContact N-O 3.17Å; L114-Q117 PolarHBondContact O-N 3.48Å; L114-C227 HydrophobicContact CD1-CB 3.99Å; L114-L228 HydrophobicContact CD1-CD2 4.01Å; L114-L228 HydrophobicContact CD1-CG 4.07Å; L114-L228 HydrophobicContact CD2-CD2 4.16Å; L114-L228 HydrophobicContact CD2-CG 4.24Å; L114-L231 HydrophobicContact CB-CD1 4.48Å; L114-L231 HydrophobicContact CD1-CD1 3.79Å |
| 115 | D | 70.8 | Confident | 82.3 | Confident | 140 Ų | 140 | 41 Ų | 41 | 75% | 0.749 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.9 | 177.8 | -57.9 | -30.6 | 0 | 0 | 0 | 114.7 | Q117 | D115-Q117 VanDerWaalsContact C-N 3.25Å; D115-Q117 PolarHBondContact O-N 3.06Å |
| 116 | N | 69.5 | Low | 82.8 | Confident | 153 Ų | 153 | 41.8 Ų | 41.8 | 82% | 0.818 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.1 | -173.5 | -63.6 | -17.8 | 0 | 0 | 0 | 115.1 | L114 | L114-N116 PolarHBondContact O-N 2.9Å; L114-N116 VanDerWaalsContact O-N 3.1Å |
| 117 | Q | 73.3 | Confident | 82.9 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 50% | 0.495 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119.3 | 173.7 | -62.6 | -174.9 | 10 | 0 | 0 | 111.4 | L7 L114 D115 H119 | L7-Q117 HydrophobicContact CD2-CG 4.31Å; L114-Q117 PolarHBondContact N-O 3.17Å; L114-Q117 PolarHBondContact O-N 3.48Å; D115-Q117 VanDerWaalsContact C-N 3.25Å; D115-Q117 PolarHBondContact O-N 3.06Å; Q117-H119 PolarHBondContact O-N 2.78Å; Q117-H119 PolarHBondContact O-ND1 3.4Å |
| 118 | S | 80.7 | Confident | 83.2 | Confident | 18 Ų | 18 | 39.3 Ų | 39.3 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 121.9 | 170.9 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | I14 E111 | I14-S118 WeakPolarHBondContact CD1-O 3.37Å; E111-S118 WeakPolarHBondContact OE1-CB 3.27Å; E111-S118 PolarHBondContact OE1-OG 2.78Å |
| 119 | H | 82.5 | Confident | 83.3 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 6% | 0.06 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.2 | 173.4 | -72 | 74.2 | 0 | 0 | 0 | 110 | P71 I73 L112 Q117 L121 | P71-H119 WeakPolarHBondContact O-CA 3.47Å; I73-H119 HydrophobicContact CD1-CB 3.89Å; I73-H119 HydrophobicContact CG1-CB 4.39Å; L112-H119 PolarHBondContact N-O 2.6Å; L112-H119 PolarHBondContact O-N 3.38Å; Q117-H119 PolarHBondContact O-N 2.78Å; Q117-H119 PolarHBondContact O-ND1 3.4Å; H119-L121 PolarHBondContact O-N 2.91Å |
| 120 | L | 84.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 104.1 | 171.3 | 179.1 | 63.6 | 0 | 0 | 0 | 109.1 | I14 I18 L66 V70 P71 G72 I73 K109 L122 | I14-L120 HydrophobicContact CG1-CB 4.33Å; I14-L120 HydrophobicContact CG2-CD1 4.16Å; I18-L120 HydrophobicContact CD1-CD1 4.37Å; I18-L120 HydrophobicContact CG1-CD1 4.1Å; L66-L120 HydrophobicContact CD2-CD2 3.99Å; V70-L120 HydrophobicContact CG1-CB 4.04Å; P71-L120 PolarHBondContact O-N 2.93Å; P71-L120 VanDerWaalsContact O-N 3.09Å; G72-L120 CarbonylContact C-O 3.58Å; G72-L120 VanDerWaalsContact CA-O 3.29Å; G72-L120 WeakPolarHBondContact CA-O 3.39Å; I73-L120 PolarHBondContact N-O 2.73Å; K109-L120 HydrophobicContact CB-CD1 4.23Å; L120-L122 HydrophobicContact CD2-CD2 4.07Å; L120-L122 HydrophobicContact CG-CD2 4.08Å; L120-L122 HydrophobicContact CG-CG 4.33Å |
| 121 | L | 89.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.1 | 173.4 | 178.5 | 59.4 | 0 | 0 | 0 | 109.5 | I73 L75 Y92 K109 K110 L112 H119 I123 | I73-L121 HydrophobicContact CB-CD1 4.19Å; I73-L121 HydrophobicContact CG2-CD1 3.91Å; L75-L121 HydrophobicContact CB-CD1 3.92Å; L75-L121 HydrophobicContact CD2-CD1 4.29Å; Y92-L121 HydrophobicContact CE1-CD2 3.73Å; Y92-L121 WeakPolarHBondContact OH-CD2 3.44Å; K109-L121 WeakPolarHBondContact CA-O 3.42Å; K110-L121 PolarHBondContact N-O 2.82Å; K110-L121 WeakPolarHBondContact O-CB 3.36Å; K110-L121 PolarHBondContact O-N 3.35Å; L112-L121 HydrophobicContact CB-CB 4.1Å; L112-L121 HydrophobicContact CD2-CD2 4.42Å; H119-L121 PolarHBondContact O-N 2.91Å; L121-I123 HydrophobicContact CD1-CG1 4.41Å; L121-I123 HydrophobicContact CD2-CD1 4.07Å; L121-I123 HydrophobicContact CD2-CG1 4.16Å; L121-I123 HydrophobicContact CG-CD1 4.3Å; L121-I123 HydrophobicContact CG-CG1 3.9Å |
| 122 | L | 88.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.115 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.8 | 174.2 | -60.8 | 170.6 | 0 | 0 | 0 | 108.2 | I73 K74 L75 K109 L120 W137 | I73-L122 PolarHBondContact O-N 2.97Å; K74-L122 HydrophobicContact CG-CB 4.44Å; K74-L122 HydrophobicContact CG-CD1 4.05Å; L75-L122 PolarHBondContact N-O 2.89Å; K109-L122 HydrophobicContact CD-CD2 4.16Å; K109-L122 HydrophobicContact CG-CD2 3.82Å; L120-L122 HydrophobicContact CD2-CD2 4.07Å; L120-L122 HydrophobicContact CG-CD2 4.08Å; L120-L122 HydrophobicContact CG-CG 4.33Å; L122-W137 HydrophobicContact CB-CH2 3.99Å; L122-W137 HydrophobicContact CB-CZ2 3.93Å; L122-W137 HydrophobicContact CD1-CZ2 4.46Å |
| 123 | I | 90.4 | Very high | 83.8 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.6 | -179.4 | -56 | 169.4 | 0 | 0 | 0 | 108.9 | L75 L77 V89 Y92 L93 R107 F108 L121 F223 | L75-I123 WeakPolarHBondContact O-CA 3.46Å; L77-I123 HydrophobicContact CD1-CG2 3.4Å; L77-I123 VanDerWaalsContact CD1-CG2 3.4Å; V89-I123 HydrophobicContact CG1-CG2 4.33Å; V89-I123 HydrophobicContact CG2-CG2 4.34Å; Y92-I123 HydrophobicContact CD1-CD1 3.92Å; Y92-I123 HydrophobicContact CE1-CD1 3.85Å; L93-I123 HydrophobicContact CD2-CD1 4.03Å; R107-I123 WeakPolarHBondContact CA-O 3.48Å; F108-I123 HydrophobicContact CB-CB 4.27Å; F108-I123 HydrophobicContact CD2-CB 4.33Å; F108-I123 HydrophobicContact CD2-CG2 4.29Å; F108-I123 PolarHBondContact N-O 3.32Å; F108-I123 PolarHBondContact O-N 3.31Å; L121-I123 HydrophobicContact CD1-CG1 4.41Å; L121-I123 HydrophobicContact CD2-CD1 4.07Å; L121-I123 HydrophobicContact CD2-CG1 4.16Å; L121-I123 HydrophobicContact CG-CD1 4.3Å; L121-I123 HydrophobicContact CG-CG1 3.9Å; I123-F223 HydrophobicContact CD1-CD1 4.49Å; I123-F223 HydrophobicContact CD1-CE1 4.13Å |
| 124 | R | 89.6 | Confident | 84.1 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 107.1 | 173.8 | -177.7 | 166.3 | 168.4 | 172.7 | -8.1 | 109.6 | L75 G76 L77 R107 E126 F134 W137 | L75-R124 PolarHBondContact O-N 2.97Å; G76-R124 CarbonylContact C-O 3.6Å; G76-R124 WeakPolarHBondContact CA-O 3.47Å; L77-R124 PolarHBondContact N-O 3.35Å; R107-R124 HydrophobicContact CG-CG 4.25Å; R124-E126 IonicContact CZ-OE1 2.78Å; R124-E126 IonicContact NE-OE1 2.71Å; R124-E126 PolarHBondContact NE-OE1 2.81Å; R124-E126 IonicContact NH2-OE1 2.81Å; R124-E126 PolarHBondContact NH2-OE1 2.81Å; R124-F134 HydrophobicContact CG-CD2 4.23Å; R124-F134 HydrophobicContact CG-CE2 4.37Å; R124-W137 HydrophobicContact CB-CE3 4.35Å; R124-W137 HydrophobicContact CB-CH2 3.76Å; R124-W137 HydrophobicContact CB-CZ3 3.56Å; R124-W137 HydrophobicContact CG-CZ3 4.49Å |
| 125 | D | 90.9 | Very high | 84.6 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 124.2 | 170.1 | 178.5 | 23.9 | 0 | 0 | 0 | 108.4 | K85 S86 G105 G106 F108 | K85-D125 VanDerWaalsContact CD-OD1 3.25Å; K85-D125 WeakPolarHBondContact CD-OD1 3.42Å; K85-D125 WeakPolarHBondContact CG-OD1 3.47Å; K85-D125 IonicContact NZ-OD1 2.72Å; K85-D125 PolarHBondContact NZ-OD1 3.31Å; K85-D125 IonicContact NZ-OD2 2.69Å; K85-D125 PolarHBondContact NZ-OD2 2.88Å; S86-D125 PolarHBondContact OG-OD2 3.34Å; G105-D125 CarbonylContact C-O 3.57Å; G105-D125 WeakPolarHBondContact CA-O 3.39Å; G106-D125 PolarHBondContact N-O 2.93Å; G106-D125 PolarHBondContact O-N 3.02Å; F108-D125 HydrophobicContact CE2-CB 4.4Å |
| 126 | E | 88.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.4 | 173.9 | -70 | -71.1 | 141.9 | 0 | 0 | 110.1 | L77 L78 K85 R124 G128 F134 | L77-E126 PolarHBondContact O-N 2.72Å; L78-E126 HydrophobicContact CD2-CB 3.97Å; L78-E126 HydrophobicContact CD2-CG 4.02Å; K85-E126 WeakPolarHBondContact CE-O 3.37Å; K85-E126 PolarHBondContact NZ-O 3.49Å; R124-E126 IonicContact CZ-OE1 2.78Å; R124-E126 IonicContact NE-OE1 2.71Å; R124-E126 PolarHBondContact NE-OE1 2.81Å; R124-E126 IonicContact NH2-OE1 2.81Å; R124-E126 PolarHBondContact NH2-OE1 2.81Å; E126-G128 VanDerWaalsContact C-N 3.29Å; E126-F134 HydrophobicContact CG-CD2 3.41Å; E126-F134 VanDerWaalsContact CG-CD2 3.41Å; E126-F134 HydrophobicContact CG-CE2 3.5Å; E126-F134 HydrophobicContact CG-CG 4.16Å; E126-F134 HydrophobicContact CG-CZ 4.32Å; E126-F134 WeakPolarHBondContact OE1-CD2 3.5Å |
| 127 | G | 80.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -74.8 | -18.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P103 | P103-G127 VanDerWaalsContact O-CA 3.3Å; P103-G127 WeakPolarHBondContact O-CA 3.36Å |
| 128 | G | 84.9 | Confident | 86.9 | Confident | 21 Ų | 21 | 30.4 Ų | 30.4 | 22% | 0.216 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -134.9 | -169.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E126 Y159 | E126-G128 VanDerWaalsContact C-N 3.29Å; G128-Y159 VanDerWaalsContact O-CE2 3.31Å; G128-Y159 WeakPolarHBondContact O-CE2 3.4Å |
| 129 | P | 87.8 | Confident | 87.3 | Confident | 52 Ų | 52 | 31 Ų | 31 | 34% | 0.338 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -73.4 | 142.1 | -176.2 | 31 | -36.1 | 0 | 0 | 0 | 111.7 | Y159 R162 | P129-Y159 VanDerWaalsContact CA-CZ 3.47Å; P129-Y159 HydrophobicContact CB-CD1 3.86Å; P129-Y159 HydrophobicContact CB-CE1 3.47Å; P129-Y159 VanDerWaalsContact CB-CE1 3.47Å; P129-Y159 HydrophobicContact CB-CE2 4.45Å; P129-Y159 HydrophobicContact CG-CE1 4.47Å; P129-R162 VanDerWaalsContact CB-CZ 3.5Å; P129-R162 PolarHBondContact O-NH2 2.94Å |
| 130 | P | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -58.7 | 141.4 | -172.8 | 23.1 | -33.6 | 0 | 0 | 0 | 112.6 | L78 F134 Y159 R162 L163 Y166 | L78-P130 HydrophobicContact CD1-CB 3.97Å; L78-P130 HydrophobicContact CD1-CG 3.84Å; L78-P130 HydrophobicContact CD2-CB 4.04Å; L78-P130 HydrophobicContact CD2-CG 4.36Å; P130-F134 HydrophobicContact CB-CD1 3.99Å; P130-F134 HydrophobicContact CB-CE1 4.38Å; P130-Y159 VanDerWaalsContact CG-O 3.32Å; P130-Y159 WeakPolarHBondContact CG-O 3.3Å; P130-R162 HydrophobicContact CG-CB 4.02Å; P130-R162 PolarHBondContact O-NE 2.85Å; P130-R162 PolarHBondContact O-NH2 2.77Å; P130-L163 HydrophobicContact CG-CB 4.33Å; P130-Y166 WeakPolarHBondContact O-CE2 3.47Å | ||
| 131 | D | 87.6 | Confident | 88.3 | Confident | 48 Ų | 48 | 30.5 Ų | 30.5 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | trans | -107.9 | -177.7 | 177.6 | 95.9 | -58 | 0 | 0 | 0 | 111.7 | Q133 F134 S135 | D131-Q133 VanDerWaalsContact CG-N 3.28Å; D131-Q133 PolarHBondContact OD1-N 3.37Å; D131-Q133 WeakPolarHBondContact OD2-CB 3.33Å; D131-Q133 WeakPolarHBondContact OD2-CG 3.31Å; D131-Q133 PolarHBondContact OD2-N 2.93Å; D131-F134 VanDerWaalsContact OD1-CB 3.24Å; D131-F134 WeakPolarHBondContact OD1-CB 3.35Å; D131-F134 PolarHBondContact OD1-N 3.4Å; D131-S135 VanDerWaalsContact O-CB 3.25Å; D131-S135 WeakPolarHBondContact O-CB 3.43Å; D131-S135 PolarHBondContact O-N 3.28Å; D131-S135 VanDerWaalsContact O-N 3.17Å; D131-S135 PolarHBondContact O-OG 3.11Å | ||
| 132 | L | 86.2 | Confident | 88.6 | Confident | 83 Ų | 83 | 30.5 Ų | 30.5 | 44% | 0.435 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 177.8 | -175.8 | 62.4 | 0 | 0 | 0 | 112.5 | S135 Q136 Y166 | L132-S135 PolarHBondContact O-N 3.5Å; L132-Q136 HydrophobicContact CD1-CG 4.33Å; L132-Q136 WeakPolarHBondContact O-CG 3.32Å; L132-Q136 PolarHBondContact O-N 2.84Å; L132-Q136 VanDerWaalsContact O-N 3.07Å; L132-Y166 HydrophobicContact CB-CD1 4.23Å; L132-Y166 HydrophobicContact CB-CE1 4.38Å; L132-Y166 HydrophobicContact CD1-CD1 3.78Å; L132-Y166 HydrophobicContact CD1-CG 4.17Å |
| 133 | Q | 84 | Confident | 88.9 | Confident | 123 Ų | 123 | 29.4 Ų | 29.4 | 58% | 0.575 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -66.9 | -50 | -177.8 | -59.6 | -173.6 | 26.6 | 0 | 0 | 111.4 | D131 S135 Q136 W137 | D131-Q133 VanDerWaalsContact CG-N 3.28Å; D131-Q133 PolarHBondContact OD1-N 3.37Å; D131-Q133 WeakPolarHBondContact OD2-CB 3.33Å; D131-Q133 WeakPolarHBondContact OD2-CG 3.31Å; D131-Q133 PolarHBondContact OD2-N 2.93Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 2.95Å; Q133-Q136 PolarHBondContact O-N 3.2Å; Q133-W137 WeakPolarHBondContact O-CB 3.32Å; Q133-W137 PolarHBondContact O-N 3.47Å |
| 134 | F | 88.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.9 | -50.3 | 173.8 | 176.9 | -87 | 0 | 0 | 0 | 110.8 | L78 R124 E126 P130 D131 Q136 W137 V138 V141 | L78-F134 HydrophobicContact CD1-CE1 3.85Å; L78-F134 HydrophobicContact CD1-CZ 4.26Å; L78-F134 HydrophobicContact CD2-CD1 4.45Å; L78-F134 HydrophobicContact CD2-CE1 3.78Å; L78-F134 HydrophobicContact CD2-CE2 4.26Å; L78-F134 HydrophobicContact CD2-CZ 3.65Å; L78-F134 HydrophobicContact CG-CE1 3.85Å; L78-F134 HydrophobicContact CG-CZ 3.74Å; R124-F134 HydrophobicContact CG-CD2 4.23Å; R124-F134 HydrophobicContact CG-CE2 4.37Å; E126-F134 HydrophobicContact CG-CD2 3.41Å; E126-F134 VanDerWaalsContact CG-CD2 3.41Å; E126-F134 HydrophobicContact CG-CE2 3.5Å; E126-F134 HydrophobicContact CG-CG 4.16Å; E126-F134 HydrophobicContact CG-CZ 4.32Å; E126-F134 WeakPolarHBondContact OE1-CD2 3.5Å; P130-F134 HydrophobicContact CB-CD1 3.99Å; P130-F134 HydrophobicContact CB-CE1 4.38Å; D131-F134 VanDerWaalsContact OD1-CB 3.24Å; D131-F134 WeakPolarHBondContact OD1-CB 3.35Å; D131-F134 PolarHBondContact OD1-N 3.4Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.46Å; F134-W137 PolarHBondContact O-N 2.8Å; F134-V138 HydrophobicContact CD1-CG1 4.22Å; F134-V138 HydrophobicContact CD2-CG1 4.27Å; F134-V138 HydrophobicContact CE1-CG1 3.87Å; F134-V138 HydrophobicContact CE2-CG1 3.95Å; F134-V138 HydrophobicContact CG-CG1 4.41Å; F134-V138 HydrophobicContact CZ-CG1 3.75Å; F134-V138 WeakPolarHBondContact O-CG2 3.2Å; F134-V138 PolarHBondContact O-N 3.39Å; F134-V141 HydrophobicContact CE1-CG2 4.33Å |
| 135 | S | 88.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -33.9 | -176.4 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | D131 L132 Q133 R167 | D131-S135 VanDerWaalsContact O-CB 3.25Å; D131-S135 WeakPolarHBondContact O-CB 3.43Å; D131-S135 PolarHBondContact O-N 3.28Å; D131-S135 VanDerWaalsContact O-N 3.17Å; D131-S135 PolarHBondContact O-OG 3.11Å; L132-S135 PolarHBondContact O-N 3.5Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 2.95Å; S135-R167 WeakPolarHBondContact O-CD 3.41Å; S135-R167 PolarHBondContact O-NH1 2.89Å |
| 136 | Q | 85 | Confident | 89.4 | Confident | 127 Ų | 127 | 28.9 Ų | 28.9 | 59% | 0.593 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -81.3 | -30.6 | 173.9 | -69 | -177.5 | 1.9 | 0 | 0 | 112.8 | L132 Q133 F134 R167 | L132-Q136 HydrophobicContact CD1-CG 4.33Å; L132-Q136 WeakPolarHBondContact O-CG 3.32Å; L132-Q136 PolarHBondContact O-N 2.84Å; L132-Q136 VanDerWaalsContact O-N 3.07Å; Q133-Q136 PolarHBondContact O-N 3.2Å; F134-Q136 VanDerWaalsContact C-N 3.29Å; F134-Q136 PolarHBondContact O-N 3.46Å; Q136-R167 PolarHBondContact O-NH1 2.66Å |
| 137 | W | 86.1 | Confident | 89.6 | Confident | 59 Ų | 59 | 27.3 Ų | 27.3 | 22% | 0.223 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.5 | -41.1 | -177.2 | -180 | 96.1 | 0 | 0 | 0 | 113.6 | K74 L122 R124 Q133 F134 | K74-W137 HydrophobicContact CB-CD2 4.22Å; K74-W137 HydrophobicContact CB-CE3 4.01Å; K74-W137 HydrophobicContact CB-CH2 3.85Å; K74-W137 HydrophobicContact CB-CZ2 4.08Å; K74-W137 HydrophobicContact CB-CZ3 3.82Å; K74-W137 HydrophobicContact CD-CD2 3.88Å; K74-W137 HydrophobicContact CD-CE3 4.49Å; K74-W137 HydrophobicContact CD-CG 4.12Å; K74-W137 HydrophobicContact CD-CZ2 4.14Å; K74-W137 WeakPolarHBondContact CD-O 3.46Å; K74-W137 HydrophobicContact CG-CD2 4.35Å; K74-W137 HydrophobicContact CG-CH2 4.18Å; K74-W137 HydrophobicContact CG-CZ2 3.9Å; L122-W137 HydrophobicContact CB-CH2 3.99Å; L122-W137 HydrophobicContact CB-CZ2 3.93Å; L122-W137 HydrophobicContact CD1-CZ2 4.46Å; R124-W137 HydrophobicContact CB-CE3 4.35Å; R124-W137 HydrophobicContact CB-CH2 3.76Å; R124-W137 HydrophobicContact CB-CZ3 3.56Å; R124-W137 HydrophobicContact CG-CZ3 4.49Å; Q133-W137 WeakPolarHBondContact O-CB 3.32Å; Q133-W137 PolarHBondContact O-N 3.47Å; F134-W137 PolarHBondContact O-N 2.8Å |
| 138 | V | 90.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | trans | -65.3 | 144.5 | -173.4 | -68.8 | 0 | 0 | 0 | 0 | 114.3 | F134 V141 R167 L172 | F134-V138 HydrophobicContact CD1-CG1 4.22Å; F134-V138 HydrophobicContact CD2-CG1 4.27Å; F134-V138 HydrophobicContact CE1-CG1 3.87Å; F134-V138 HydrophobicContact CE2-CG1 3.95Å; F134-V138 HydrophobicContact CG-CG1 4.41Å; F134-V138 HydrophobicContact CZ-CG1 3.75Å; F134-V138 WeakPolarHBondContact O-CG2 3.2Å; F134-V138 PolarHBondContact O-N 3.39Å; V138-V141 HydrophobicContact CB-CG2 4.3Å; V138-V141 HydrophobicContact CG1-CG2 4.41Å; V138-V141 HydrophobicContact CG2-CG2 3.88Å; V138-R167 PolarHBondContact O-NH1 2.69Å; V138-R167 PolarHBondContact O-NH2 2.73Å; V138-L172 HydrophobicContact CG2-CD1 4.24Å; V138-L172 HydrophobicContact CG2-CD2 3.93Å | ||
| 139 | D | 90.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 17% | 0.171 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -89.8 | -26.2 | 161.1 | -71.1 | -84.4 | 0 | 0 | 0 | 112 | K74 L172 P173 I230 R234 | K74-D139 HydrophobicContact CB-CB 4.45Å; K74-D139 VanDerWaalsContact CB-OD2 3.29Å; K74-D139 WeakPolarHBondContact CB-OD2 3.07Å; K74-D139 PolarHBondContact N-OD2 3.47Å; K74-D139 WeakPolarHBondContact O-CA 3.45Å; K74-D139 WeakPolarHBondContact O-CB 3.27Å; K74-D139 PolarHBondContact O-N 3.34Å; D139-L172 WeakPolarHBondContact O-CD2 3.4Å; D139-P173 WeakPolarHBondContact O-CD 3.28Å; D139-I230 HydrophobicContact CB-CD1 4.02Å; D139-I230 HydrophobicContact CB-CG1 4.14Å; D139-I230 HydrophobicContact CB-CG2 3.59Å; D139-R234 IonicContact OD1-CZ 3.35Å; D139-R234 IonicContact OD1-NE 3.12Å; D139-R234 PolarHBondContact OD1-NE 3.46Å; D139-R234 VanDerWaalsContact OD1-NE 3.12Å; D139-R234 IonicContact OD1-NH2 2.8Å; D139-R234 PolarHBondContact OD1-NH2 2.85Å; D139-R234 IonicContact OD2-CZ 3.79Å; D139-R234 IonicContact OD2-NH2 2.79Å; D139-R234 PolarHBondContact OD2-NH2 2.74Å |
| 140 | G | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 164 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K74 G76 | K74-G140 PolarHBondContact O-N 2.78Å; G76-G140 PolarHBondContact N-O 2.95Å |
| 141 | V | 94.8 | Very high | 90 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.9 | -169.5 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | G76 L78 F134 V138 F143 L163 L172 P173 I174 I175 | G76-V141 WeakPolarHBondContact O-CA 3.37Å; L78-V141 HydrophobicContact CB-CG1 4.45Å; L78-V141 HydrophobicContact CD1-CG1 3.89Å; L78-V141 HydrophobicContact CG-CG1 4.07Å; F134-V141 HydrophobicContact CE1-CG2 4.33Å; V138-V141 HydrophobicContact CB-CG2 4.3Å; V138-V141 HydrophobicContact CG1-CG2 4.41Å; V138-V141 HydrophobicContact CG2-CG2 3.88Å; V141-F143 HydrophobicContact CG1-CD2 4.1Å; V141-F143 HydrophobicContact CG1-CE2 3.79Å; V141-F143 HydrophobicContact CG1-CZ 4.11Å; V141-L163 HydrophobicContact CB-CD2 4.47Å; V141-L163 HydrophobicContact CG1-CD2 4.42Å; V141-L163 HydrophobicContact CG2-CD2 4.04Å; V141-L172 HydrophobicContact CG2-CD1 4.49Å; V141-P173 PolarHBondContact N-O 2.78Å; V141-P173 VanDerWaalsContact N-O 3.1Å; V141-I174 WeakPolarHBondContact O-CA 3.13Å; V141-I175 PolarHBondContact O-N 1.91Å; V141-I175 VanDerWaalsContact O-N 3.13Å |
| 142 | I | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123 | 167.5 | -59.2 | 166.7 | 0 | 0 | 0 | 108.3 | L75 G76 L77 L78 V144 I175 V177 V222 F223 A226 | L75-I142 HydrophobicContact CD1-CD1 4.13Å; L75-I142 HydrophobicContact CD1-CG1 4.15Å; L75-I142 HydrophobicContact CD2-CD1 3.96Å; L75-I142 HydrophobicContact CG-CD1 4.29Å; G76-I142 PolarHBondContact O-N 3.16Å; L77-I142 WeakPolarHBondContact CA-O 3.48Å; L77-I142 HydrophobicContact CG-CB 4.3Å; L78-I142 PolarHBondContact N-O 3.28Å; I142-V144 HydrophobicContact CG2-CG2 3.96Å; I142-I175 WeakPolarHBondContact CA-O 3.24Å; I142-I175 HydrophobicContact CG1-CB 4.46Å; I142-V177 HydrophobicContact CG2-CB 4.31Å; I142-V177 HydrophobicContact CG2-CG2 3.52Å; I142-V222 HydrophobicContact CD1-CG1 3.94Å; I142-V222 HydrophobicContact CG2-CG1 4.41Å; I142-F223 HydrophobicContact CD1-CD1 4.37Å; I142-F223 HydrophobicContact CD1-CE1 4.3Å; I142-A226 HydrophobicContact CD1-CB 4.2Å; I142-A226 HydrophobicContact CG1-CB 4.34Å |
| 143 | F | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.2 | 167.8 | -73 | -84.7 | 0 | 0 | 0 | 109.9 | L78 V141 V156 Y160 L163 I174 I175 L176 V177 | L78-F143 HydrophobicContact CB-CD1 3.8Å; L78-F143 HydrophobicContact CB-CE1 3.82Å; L78-F143 HydrophobicContact CD1-CD1 4.39Å; L78-F143 HydrophobicContact CD1-CE1 3.58Å; L78-F143 HydrophobicContact CD1-CZ 3.8Å; L78-F143 HydrophobicContact CG-CE1 4.36Å; L78-F143 CarbonylContact O-C 3.54Å; L78-F143 VanDerWaalsContact O-CA 3.3Å; L78-F143 WeakPolarHBondContact O-CA 3.37Å; V141-F143 HydrophobicContact CG1-CD2 4.1Å; V141-F143 HydrophobicContact CG1-CE2 3.79Å; V141-F143 HydrophobicContact CG1-CZ 4.11Å; F143-V156 HydrophobicContact CB-CG1 3.89Å; F143-V156 HydrophobicContact CB-CG2 4.42Å; F143-V156 HydrophobicContact CD1-CG1 3.87Å; F143-V156 HydrophobicContact CG-CG1 3.99Å; F143-Y160 HydrophobicContact CE2-CD2 4.2Å; F143-Y160 HydrophobicContact CZ-CD2 4.24Å; F143-L163 HydrophobicContact CE2-CD2 4.26Å; F143-L163 HydrophobicContact CZ-CD2 3.93Å; F143-I174 HydrophobicContact CD2-CG2 3.7Å; F143-I174 HydrophobicContact CE2-CG2 3.89Å; F143-I175 PolarHBondContact N-O 3.28Å; F143-L176 HydrophobicContact CB-CD1 3.93Å; F143-L176 CarbonylContact O-C 3.53Å; F143-V177 PolarHBondContact O-N 3.26Å |
| 144 | V | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135 | -177.2 | -165.3 | 0 | 0 | 0 | 0 | 110.1 | L77 L78 G79 S83 K85 L88 I142 V177 T179 | L77-V144 HydrophobicContact CD2-CG2 4.12Å; L78-V144 PolarHBondContact O-N 3.04Å; G79-V144 WeakPolarHBondContact CA-O 3.32Å; S83-V144 WeakPolarHBondContact CB-O 3.4Å; S83-V144 WeakPolarHBondContact O-CG1 3.39Å; K85-V144 HydrophobicContact CB-CB 4.11Å; K85-V144 HydrophobicContact CB-CG1 4.37Å; K85-V144 HydrophobicContact CB-CG2 4.14Å; L88-V144 HydrophobicContact CD2-CG1 4.32Å; L88-V144 HydrophobicContact CD2-CG2 4.17Å; I142-V144 HydrophobicContact CG2-CG2 3.96Å; V144-V177 WeakPolarHBondContact CA-O 3.32Å; V144-V177 HydrophobicContact CG1-CG1 4.44Å; V144-T179 HydrophobicContact CG1-CG2 3.61Å |
| 145 | F | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.4 | 170.6 | 71.9 | -84 | 0 | 0 | 0 | 109.9 | L147 Y153 V156 L176 V177 G178 T179 I191 A196 L199 Y208 | F145-L147 HydrophobicContact CE2-CD2 3.98Å; F145-L147 HydrophobicContact CZ-CD2 4.38Å; F145-Y153 HydrophobicContact CD2-CD2 4.07Å; F145-Y153 AromaticContact CE2-CD2 3.98Å; F145-Y153 HydrophobicContact CE2-CD2 3.98Å; F145-Y153 HydrophobicContact CZ-CD2 4.35Å; F145-V156 HydrophobicContact CB-CG2 4.11Å; F145-L176 HydrophobicContact CD1-CD1 3.81Å; F145-L176 HydrophobicContact CD1-CG 4.32Å; F145-L176 HydrophobicContact CE1-CD1 3.83Å; F145-L176 HydrophobicContact CE1-CD2 4.09Å; F145-L176 HydrophobicContact CE1-CG 3.84Å; F145-V177 WeakPolarHBondContact CD1-O 3.49Å; F145-V177 PolarHBondContact N-O 2.78Å; F145-G178 CarbonylContact O-C 3.4Å; F145-G178 WeakPolarHBondContact O-CA 3.23Å; F145-T179 PolarHBondContact O-N 2.8Å; F145-T179 PolarHBondContact O-OG1 3.37Å; F145-I191 HydrophobicContact CD2-CD1 3.99Å; F145-I191 HydrophobicContact CE2-CB 4.33Å; F145-I191 HydrophobicContact CE2-CD1 4.13Å; F145-I191 HydrophobicContact CE2-CG2 3.86Å; F145-I191 HydrophobicContact CZ-CG2 4.47Å; F145-A196 HydrophobicContact CZ-CB 3.92Å; F145-L199 HydrophobicContact CE1-CD2 4.48Å; F145-Y208 HydrophobicContact CE1-CE2 4.04Å; F145-Y208 AromaticContact CZ-CE2 3.93Å; F145-Y208 HydrophobicContact CZ-CE2 3.93Å |
| 146 | S | 92 | Very high | 91.3 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.8 | 173.8 | 161.9 | 0 | 0 | 0 | 0 | 111.1 | E148 N149 S152 T179 I191 | S146-E148 PolarHBondContact O-N 3.43Å; S146-E148 VanDerWaalsContact O-N 3.13Å; S146-E148 PolarHBondContact OG-N 3.18Å; S146-N149 PolarHBondContact O-N 2.68Å; S146-S152 PolarHBondContact N-OG 2.99Å; S146-S152 PolarHBondContact O-OG 2.83Å; S146-T179 VanDerWaalsContact CA-OG1 3.28Å; S146-T179 WeakPolarHBondContact CA-OG1 3.41Å; S146-I191 WeakPolarHBondContact O-CD1 3.21Å |
| 147 | L | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.6 | 176.1 | -72.7 | 174.1 | 0 | 0 | 0 | 113.8 | F145 T179 Q180 R189 V190 I191 E210 | F145-L147 HydrophobicContact CE2-CD2 3.98Å; F145-L147 HydrophobicContact CZ-CD2 4.38Å; L147-T179 WeakPolarHBondContact CB-O 3.07Å; L147-T179 WeakPolarHBondContact CG-O 3.34Å; L147-T179 PolarHBondContact N-O 3.27Å; L147-Q180 HydrophobicContact CD1-CB 4.32Å; L147-R189 HydrophobicContact CB-CG 4.44Å; L147-V190 PolarHBondContact O-N 3.39Å; L147-I191 HydrophobicContact CD2-CB 4.48Å; L147-I191 PolarHBondContact O-N 2.96Å; L147-E210 HydrophobicContact CD1-CG 4.33Å |
| 148 | E | 86.8 | Confident | 91.8 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -22.1 | -178.9 | -60.6 | 158.6 | -156.6 | 0 | 0 | 111.8 | S146 S182 Y187 V190 | S146-E148 PolarHBondContact O-N 3.43Å; S146-E148 VanDerWaalsContact O-N 3.13Å; S146-E148 PolarHBondContact OG-N 3.18Å; E148-S182 WeakPolarHBondContact OE1-CB 3.02Å; E148-S182 PolarHBondContact OE1-OG 2.92Å; E148-S182 WeakPolarHBondContact OE2-CB 3.39Å; E148-S182 PolarHBondContact OE2-OG 2.96Å; E148-S182 VanDerWaalsContact OE2-OG 3.1Å; E148-Y187 HydrophobicContact CG-CD2 4.33Å; E148-Y187 HydrophobicContact CG-CE2 3.88Å; E148-Y187 WeakPolarHBondContact OE1-CE2 3.5Å; E148-V190 WeakPolarHBondContact O-CG2 3.37Å |
| 149 | N | 86.8 | Confident | 92 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | trans | -111.8 | 104.7 | -173.2 | -175.6 | -24.5 | 0 | 0 | 0 | 112.1 | Q82 S146 E151 S152 Y153 | Q82-N149 PolarHBondContact OE1-ND2 3.2Å; S146-N149 PolarHBondContact O-N 2.68Å; N149-E151 VanDerWaalsContact C-N 3.31Å; N149-E151 PolarHBondContact O-N 3.39Å; N149-E151 WeakPolarHBondContact OD1-CA 3.24Å; N149-E151 WeakPolarHBondContact OD1-CB 3.44Å; N149-E151 PolarHBondContact OD1-N 2.97Å; N149-S152 PolarHBondContact O-N 2.79Å; N149-S152 PolarHBondContact O-OG 2.99Å; N149-S152 PolarHBondContact OD1-N 3Å; N149-Y153 PolarHBondContact O-N 2.96Å | ||
| 150 | I | 89.9 | Confident | 92.1 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.4 | -29.1 | 179.9 | -168.6 | 57.4 | 0 | 0 | 0 | 114.1 | Y153 Q154 V190 I191 | I150-Y153 HydrophobicContact CD1-CD1 3.99Å; I150-Y153 HydrophobicContact CD1-CG 4.44Å; I150-Y153 PolarHBondContact O-N 2.86Å; I150-Q154 WeakPolarHBondContact O-CG 3.46Å; I150-Q154 PolarHBondContact O-N 3.43Å; I150-V190 HydrophobicContact CB-CG1 3.98Å; I150-I191 HydrophobicContact CD1-CG1 3.99Å |
| 151 | E | 89.8 | Confident | 92 | Very high | 125 Ų | 125 | 35.5 Ų | 35.5 | 58% | 0.584 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -69 | -42.8 | 177 | -53.9 | 179.5 | 177.5 | 0 | 0 | 109.8 | N149 Y153 Q154 V155 | N149-E151 VanDerWaalsContact C-N 3.31Å; N149-E151 PolarHBondContact O-N 3.39Å; N149-E151 WeakPolarHBondContact OD1-CA 3.24Å; N149-E151 WeakPolarHBondContact OD1-CB 3.44Å; N149-E151 PolarHBondContact OD1-N 2.97Å; E151-Y153 PolarHBondContact O-N 2.67Å; E151-Q154 PolarHBondContact O-N 2.81Å; E151-V155 VanDerWaalsContact O-CG2 3.31Å; E151-V155 WeakPolarHBondContact O-CG2 3.38Å; E151-V155 PolarHBondContact O-N 2.7Å |
| 152 | S | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -35.8 | 174.7 | 81 | 0 | 0 | 0 | 0 | 112.7 | S80 S146 N149 | S80-S152 WeakPolarHBondContact OG-CA 3.34Å; S80-S152 WeakPolarHBondContact OG-CB 3.34Å; S146-S152 PolarHBondContact N-OG 2.99Å; S146-S152 PolarHBondContact O-OG 2.83Å; N149-S152 PolarHBondContact O-N 2.79Å; N149-S152 PolarHBondContact O-OG 2.99Å; N149-S152 PolarHBondContact OD1-N 3Å |
| 153 | Y | 93.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.8 | -37.1 | 175.1 | 168 | -80.8 | 0 | 0 | 0 | 112.7 | F145 N149 I150 E151 Y157 I191 R195 L199 | F145-Y153 HydrophobicContact CD2-CD2 4.07Å; F145-Y153 AromaticContact CE2-CD2 3.98Å; F145-Y153 HydrophobicContact CE2-CD2 3.98Å; F145-Y153 HydrophobicContact CZ-CD2 4.35Å; N149-Y153 PolarHBondContact O-N 2.96Å; I150-Y153 HydrophobicContact CD1-CD1 3.99Å; I150-Y153 HydrophobicContact CD1-CG 4.44Å; I150-Y153 PolarHBondContact O-N 2.86Å; E151-Y153 PolarHBondContact O-N 2.67Å; Y153-Y157 HydrophobicContact CE1-CE2 4.36Å; Y153-I191 HydrophobicContact CD2-CD1 4.42Å; Y153-I191 HydrophobicContact CD2-CG1 4.13Å; Y153-I191 HydrophobicContact CD2-CG2 3.87Å; Y153-I191 HydrophobicContact CE2-CG2 4.14Å; Y153-I191 HydrophobicContact CG-CD1 4.2Å; Y153-I191 HydrophobicContact CG-CG1 4.08Å; Y153-R195 HydrophobicContact CE1-CG 4.39Å; Y153-R195 HydrophobicContact CE2-CG 4.07Å; Y153-R195 WeakPolarHBondContact OH-CG 3.1Å; Y153-R195 PolarHBondContact OH-O 3.28Å; Y153-L199 HydrophobicContact CD2-CD2 3.72Å; Y153-L199 HydrophobicContact CE2-CB 3.81Å; Y153-L199 HydrophobicContact CE2-CD2 3.48Å; Y153-L199 VanDerWaalsContact CE2-CD2 3.48Å; Y153-L199 HydrophobicContact CE2-CG 4.23Å |
| 154 | Q | 91.6 | Very high | 91.2 | Very high | 113 Ų | 113 | 42.7 Ų | 42.7 | 53% | 0.528 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.8 | -44.9 | 177.4 | -72.8 | 173.5 | 3.4 | 0 | 0 | 111.5 | I150 E151 V156 Y157 | I150-Q154 WeakPolarHBondContact O-CG 3.46Å; I150-Q154 PolarHBondContact O-N 3.43Å; E151-Q154 PolarHBondContact O-N 2.81Å; Q154-V156 PolarHBondContact O-N 3.45Å; Q154-V156 VanDerWaalsContact O-N 3.1Å; Q154-Y157 PolarHBondContact O-N 3.06Å |
| 155 | V | 92.5 | Very high | 91 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -30.1 | -179.8 | 167.7 | 0 | 0 | 0 | 0 | 113.1 | E151 Y157 D158 Y159 | E151-V155 VanDerWaalsContact O-CG2 3.31Å; E151-V155 WeakPolarHBondContact O-CG2 3.38Å; E151-V155 PolarHBondContact O-N 2.7Å; V155-Y157 VanDerWaalsContact C-N 3.33Å; V155-Y157 PolarHBondContact O-N 3.07Å; V155-D158 PolarHBondContact O-N 3.01Å; V155-Y159 HydrophobicContact CG1-CD1 3.64Å; V155-Y159 HydrophobicContact CG1-CD2 4.12Å; V155-Y159 HydrophobicContact CG1-CE1 3.34Å; V155-Y159 HydrophobicContact CG1-CE2 3.87Å; V155-Y159 HydrophobicContact CG1-CG 4.03Å; V155-Y159 VanDerWaalsContact CG1-CZ 3.46Å; V155-Y159 WeakPolarHBondContact O-CB 3.36Å; V155-Y159 WeakPolarHBondContact O-CD1 3.45Å; V155-Y159 PolarHBondContact O-N 2.89Å |
| 156 | V | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | F143 F145 Q154 Y160 L176 L199 L203 | F143-V156 HydrophobicContact CB-CG1 3.89Å; F143-V156 HydrophobicContact CB-CG2 4.42Å; F143-V156 HydrophobicContact CD1-CG1 3.87Å; F143-V156 HydrophobicContact CG-CG1 3.99Å; F145-V156 HydrophobicContact CB-CG2 4.11Å; Q154-V156 PolarHBondContact O-N 3.45Å; Q154-V156 VanDerWaalsContact O-N 3.1Å; V156-Y160 VanDerWaalsContact O-CB 3.31Å; V156-Y160 WeakPolarHBondContact O-CB 3.36Å; V156-Y160 PolarHBondContact O-N 2.84Å; V156-L176 HydrophobicContact CG1-CD1 4.07Å; V156-L199 HydrophobicContact CB-CD2 4.34Å; V156-L199 HydrophobicContact CG1-CD1 4.35Å; V156-L199 HydrophobicContact CG1-CD2 4.07Å; V156-L203 HydrophobicContact CG1-CD1 3.78Å |
| 157 | Y | 90.5 | Very high | 90.4 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 176.7 | -83.5 | -73 | 0 | 0 | 0 | 111.4 | Y153 Q154 V155 Y160 A161 L199 D202 | Y153-Y157 HydrophobicContact CE1-CE2 4.36Å; Q154-Y157 PolarHBondContact O-N 3.06Å; V155-Y157 VanDerWaalsContact C-N 3.33Å; V155-Y157 PolarHBondContact O-N 3.07Å; Y157-Y160 PolarHBondContact O-N 3.33Å; Y157-A161 WeakPolarHBondContact O-CB 3.34Å; Y157-A161 PolarHBondContact O-N 2.88Å; Y157-L199 HydrophobicContact CD1-CD1 4.13Å; Y157-L199 HydrophobicContact CD2-CD1 3.9Å; Y157-L199 HydrophobicContact CE1-CD1 3.76Å; Y157-L199 HydrophobicContact CE2-CD1 3.53Å; Y157-L199 HydrophobicContact CG-CD1 4.2Å; Y157-L199 VanDerWaalsContact CZ-CD1 3.44Å; Y157-D202 HydrophobicContact CE1-CB 4.21Å; Y157-D202 PolarHBondContact OH-OD2 3.12Å |
| 158 | D | 91.7 | Very high | 89.9 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.1 | -39 | -179 | -65.9 | -29.6 | 0 | 0 | 0 | 111.9 | V155 A161 R162 | V155-D158 PolarHBondContact O-N 3.01Å; D158-A161 PolarHBondContact O-N 3.38Å; D158-R162 PolarHBondContact O-N 2.97Å |
| 159 | Y | 93.7 | Very high | 89.6 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 12% | 0.122 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -37.8 | 178 | -76.1 | 25.7 | 0 | 0 | 0 | 110.8 | L78 G79 G128 P129 P130 V155 R162 L163 | L78-Y159 HydrophobicContact CB-CD2 4.26Å; G79-Y159 WeakPolarHBondContact O-CE2 3.17Å; G128-Y159 VanDerWaalsContact O-CE2 3.31Å; G128-Y159 WeakPolarHBondContact O-CE2 3.4Å; P129-Y159 VanDerWaalsContact CA-CZ 3.47Å; P129-Y159 HydrophobicContact CB-CD1 3.86Å; P129-Y159 HydrophobicContact CB-CE1 3.47Å; P129-Y159 VanDerWaalsContact CB-CE1 3.47Å; P129-Y159 HydrophobicContact CB-CE2 4.45Å; P129-Y159 HydrophobicContact CG-CE1 4.47Å; P130-Y159 VanDerWaalsContact CG-O 3.32Å; P130-Y159 WeakPolarHBondContact CG-O 3.3Å; V155-Y159 HydrophobicContact CG1-CD1 3.64Å; V155-Y159 HydrophobicContact CG1-CD2 4.12Å; V155-Y159 HydrophobicContact CG1-CE1 3.34Å; V155-Y159 HydrophobicContact CG1-CE2 3.87Å; V155-Y159 HydrophobicContact CG1-CG 4.03Å; V155-Y159 VanDerWaalsContact CG1-CZ 3.46Å; V155-Y159 WeakPolarHBondContact O-CB 3.36Å; V155-Y159 WeakPolarHBondContact O-CD1 3.45Å; V155-Y159 PolarHBondContact O-N 2.89Å; Y159-R162 PolarHBondContact O-N 3.28Å; Y159-L163 WeakPolarHBondContact O-CB 3.32Å; Y159-L163 PolarHBondContact O-N 3.02Å |
| 160 | Y | 92.4 | Very high | 89.1 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 171.4 | 173.6 | -101.3 | 0 | 0 | 0 | 112.4 | F143 V156 Y157 L163 S164 T169 I174 L203 K204 | F143-Y160 HydrophobicContact CE2-CD2 4.2Å; F143-Y160 HydrophobicContact CZ-CD2 4.24Å; V156-Y160 VanDerWaalsContact O-CB 3.31Å; V156-Y160 WeakPolarHBondContact O-CB 3.36Å; V156-Y160 PolarHBondContact O-N 2.84Å; Y157-Y160 PolarHBondContact O-N 3.33Å; Y160-L163 PolarHBondContact O-N 3Å; Y160-S164 WeakPolarHBondContact O-CB 3.29Å; Y160-S164 PolarHBondContact O-N 3.21Å; Y160-T169 HydrophobicContact CD2-CG2 4.47Å; Y160-T169 HydrophobicContact CE2-CG2 3.88Å; Y160-I174 HydrophobicContact CD2-CD1 4.17Å; Y160-I174 HydrophobicContact CE2-CD1 3.76Å; Y160-L203 HydrophobicContact CD1-CD2 3.51Å; Y160-L203 HydrophobicContact CD2-CD2 3.64Å; Y160-L203 HydrophobicContact CE1-CD2 4.02Å; Y160-L203 HydrophobicContact CE2-CD2 4.14Å; Y160-L203 HydrophobicContact CG-CD2 3.29Å; Y160-K204 WeakPolarHBondContact OH-CE 3.48Å; Y160-K204 WeakPolarHBondContact OH-CG 3.31Å |
| 161 | A | 90.9 | Very high | 88.6 | Confident | 47 Ų | 47 | 56 Ų | 56 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y157 D158 S164 T165 | Y157-A161 WeakPolarHBondContact O-CB 3.34Å; Y157-A161 PolarHBondContact O-N 2.88Å; D158-A161 PolarHBondContact O-N 3.38Å; A161-S164 PolarHBondContact O-N 3.03Å; A161-S164 VanDerWaalsContact O-N 3.16Å; A161-S164 PolarHBondContact O-OG 2.81Å; A161-T165 PolarHBondContact O-N 3.1Å |
| 162 | R | 90.9 | Very high | 88.5 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 174.6 | -78.2 | -177.7 | 57.2 | 150.4 | -8.5 | 113.5 | P129 P130 D158 Y159 S164 T165 Y166 | P129-R162 VanDerWaalsContact CB-CZ 3.5Å; P129-R162 PolarHBondContact O-NH2 2.94Å; P130-R162 HydrophobicContact CG-CB 4.02Å; P130-R162 PolarHBondContact O-NE 2.85Å; P130-R162 PolarHBondContact O-NH2 2.77Å; D158-R162 PolarHBondContact O-N 2.97Å; Y159-R162 PolarHBondContact O-N 3.28Å; R162-S164 PolarHBondContact O-N 2.9Å; R162-T165 PolarHBondContact O-N 3.35Å; R162-T165 PolarHBondContact O-OG1 3.27Å; R162-Y166 WeakPolarHBondContact O-CD2 3.17Å |
| 163 | L | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -37.1 | 173.8 | -178.9 | 62.9 | 0 | 0 | 0 | 111.2 | P130 V141 F143 Y159 Y160 T165 Y166 R167 T169 L172 | P130-L163 HydrophobicContact CG-CB 4.33Å; V141-L163 HydrophobicContact CB-CD2 4.47Å; V141-L163 HydrophobicContact CG1-CD2 4.42Å; V141-L163 HydrophobicContact CG2-CD2 4.04Å; F143-L163 HydrophobicContact CE2-CD2 4.26Å; F143-L163 HydrophobicContact CZ-CD2 3.93Å; Y159-L163 WeakPolarHBondContact O-CB 3.32Å; Y159-L163 PolarHBondContact O-N 3.02Å; Y160-L163 PolarHBondContact O-N 3Å; L163-T165 PolarHBondContact O-N 3.25Å; L163-Y166 PolarHBondContact O-N 3.33Å; L163-R167 PolarHBondContact O-N 2.93Å; L163-R167 VanDerWaalsContact O-N 3.13Å; L163-T169 HydrophobicContact CD2-CG2 4.47Å; L163-T169 HydrophobicContact CG-CG2 4.32Å; L163-L172 HydrophobicContact CD1-CD1 4.28Å; L163-L172 HydrophobicContact CD2-CD1 4.34Å |
| 164 | S | 88.1 | Confident | 88.5 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.8 | -20.2 | -179 | 81 | 0 | 0 | 0 | 0 | 115.3 | Y160 A161 R162 | Y160-S164 WeakPolarHBondContact O-CB 3.29Å; Y160-S164 PolarHBondContact O-N 3.21Å; A161-S164 PolarHBondContact O-N 3.03Å; A161-S164 VanDerWaalsContact O-N 3.16Å; A161-S164 PolarHBondContact O-OG 2.81Å; R162-S164 PolarHBondContact O-N 2.9Å |
| 165 | T | 89.9 | Confident | 88.7 | Confident | 107 Ų | 107 | 45.9 Ų | 45.9 | 66% | 0.656 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -80.2 | -29.1 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | A161 R162 L163 | A161-T165 PolarHBondContact O-N 3.1Å; R162-T165 PolarHBondContact O-N 3.35Å; R162-T165 PolarHBondContact O-OG1 3.27Å; L163-T165 PolarHBondContact O-N 3.25Å |
| 166 | Y | 88.2 | Confident | 88.8 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 37% | 0.365 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -89.1 | -29 | 179.7 | -60.3 | -51.8 | 0 | 0 | 0 | 114.1 | P130 L132 R162 L163 | P130-Y166 WeakPolarHBondContact O-CE2 3.47Å; L132-Y166 HydrophobicContact CB-CD1 4.23Å; L132-Y166 HydrophobicContact CB-CE1 4.38Å; L132-Y166 HydrophobicContact CD1-CD1 3.78Å; L132-Y166 HydrophobicContact CD1-CG 4.17Å; R162-Y166 WeakPolarHBondContact O-CD2 3.17Å; L163-Y166 PolarHBondContact O-N 3.33Å |
| 167 | R | 86.4 | Confident | 89 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 14% | 0.143 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -150.7 | 145.3 | -179.3 | -177.9 | 168.1 | 170.9 | -179.6 | -6 | 112.4 | S135 Q136 V138 L163 T169 S171 L172 | S135-R167 WeakPolarHBondContact O-CD 3.41Å; S135-R167 PolarHBondContact O-NH1 2.89Å; Q136-R167 PolarHBondContact O-NH1 2.66Å; V138-R167 PolarHBondContact O-NH1 2.69Å; V138-R167 PolarHBondContact O-NH2 2.73Å; L163-R167 PolarHBondContact O-N 2.93Å; L163-R167 VanDerWaalsContact O-N 3.13Å; R167-T169 PolarHBondContact O-N 3.26Å; R167-S171 PolarHBondContact NE-OG 2.96Å; R167-S171 VanDerWaalsContact NE-OG 3.14Å; R167-L172 HydrophobicContact CG-CD1 4.45Å; R167-L172 VanDerWaalsContact NH2-CD2 3.34Å |
| 168 | S | 80.4 | Confident | 89.1 | Confident | 71 Ų | 71 | 40.5 Ų | 40.5 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | trans | -62.1 | 112 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | S170 S171 | S168-S170 PolarHBondContact O-N 2.85Å; S168-S170 PolarHBondContact OG-N 2.86Å; S168-S170 PolarHBondContact OG-OG 3.11Å; S168-S171 WeakPolarHBondContact O-CB 3.43Å; S168-S171 PolarHBondContact O-N 2.58Å; S168-S171 PolarHBondContact O-OG 2.79Å | ||
| 169 | T | 79.2 | Confident | 89.1 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 7.8 | 173.3 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | Y160 L163 R167 I174 K204 | Y160-T169 HydrophobicContact CD2-CG2 4.47Å; Y160-T169 HydrophobicContact CE2-CG2 3.88Å; L163-T169 HydrophobicContact CD2-CG2 4.47Å; L163-T169 HydrophobicContact CG-CG2 4.32Å; R167-T169 PolarHBondContact O-N 3.26Å; T169-I174 HydrophobicContact CG2-CD1 4.49Å; T169-K204 WeakPolarHBondContact O-CE 3.29Å; T169-K204 PolarHBondContact O-NZ 3.21Å; T169-K204 WeakPolarHBondContact OG1-CE 3.39Å; T169-K204 PolarHBondContact OG1-NZ 3.04Å |
| 170 | S | 77.5 | Confident | 88.8 | Confident | 89 Ų | 89 | 37.4 Ų | 37.4 | 62% | 0.622 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -13.7 | 165.3 | 65.8 | 0 | 0 | 0 | 0 | 113 | S168 | S168-S170 PolarHBondContact O-N 2.85Å; S168-S170 PolarHBondContact OG-N 2.86Å; S168-S170 PolarHBondContact OG-OG 3.11Å |
| 171 | S | 79.7 | Confident | 87.9 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 15% | 0.154 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -96.8 | 9.9 | 179.3 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | R167 S168 | R167-S171 PolarHBondContact NE-OG 2.96Å; R167-S171 VanDerWaalsContact NE-OG 3.14Å; S168-S171 WeakPolarHBondContact O-CB 3.43Å; S168-S171 PolarHBondContact O-N 2.58Å; S168-S171 PolarHBondContact O-OG 2.79Å |
| 172 | L | 86.9 | Confident | 86.5 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -135.6 | 129.1 | -174.3 | -71.7 | 173.8 | 0 | 0 | 0 | 109.4 | V138 D139 V141 L163 R167 | V138-L172 HydrophobicContact CG2-CD1 4.24Å; V138-L172 HydrophobicContact CG2-CD2 3.93Å; D139-L172 WeakPolarHBondContact O-CD2 3.4Å; V141-L172 HydrophobicContact CG2-CD1 4.49Å; L163-L172 HydrophobicContact CD1-CD1 4.28Å; L163-L172 HydrophobicContact CD2-CD1 4.34Å; R167-L172 HydrophobicContact CG-CD1 4.45Å; R167-L172 VanDerWaalsContact NH2-CD2 3.34Å |
| 173 | P | 91.9 | Very high | 84.8 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | trans | -71.8 | 138.8 | 162.4 | 31.5 | -27.6 | 0 | 0 | 0 | 109 | D139 V141 K229 I230 L233 | D139-P173 WeakPolarHBondContact O-CD 3.28Å; V141-P173 PolarHBondContact N-O 2.78Å; V141-P173 VanDerWaalsContact N-O 3.1Å; P173-K229 HydrophobicContact CB-CB 3.72Å; P173-K229 HydrophobicContact CG-CB 4.33Å; P173-I230 HydrophobicContact CG-CB 4.43Å; P173-I230 HydrophobicContact CG-CG1 3.5Å; P173-L233 HydrophobicContact CB-CD1 3.73Å; P173-L233 VanDerWaalsContact CD-CD1 3.46Å; P173-L233 HydrophobicContact CG-CD1 3.8Å | ||
| 174 | I | 93.4 | Very high | 82.7 | Confident | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.9 | -179.2 | -61.3 | 177.3 | 0 | 0 | 0 | 108.2 | V141 F143 Y160 T169 C206 | V141-I174 WeakPolarHBondContact O-CA 3.13Å; F143-I174 HydrophobicContact CD2-CG2 3.7Å; F143-I174 HydrophobicContact CE2-CG2 3.89Å; Y160-I174 HydrophobicContact CD2-CD1 4.17Å; Y160-I174 HydrophobicContact CE2-CD1 3.76Å; T169-I174 HydrophobicContact CG2-CD1 4.49Å; I174-C206 HydrophobicContact CB-CB 4.31Å; I174-C206 HydrophobicContact CG2-CB 4.11Å; I174-C206 VanDerWaalsContact O-CB 3.28Å; I174-C206 WeakPolarHBondContact O-CB 3.31Å |
| 175 | I | 94.8 | Very high | 80.9 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.9 | 170.6 | -63.3 | -177.7 | 0 | 0 | 0 | 108.3 | V141 I142 F143 V177 Y209 V222 D225 A226 K229 | V141-I175 PolarHBondContact O-N 1.91Å; V141-I175 VanDerWaalsContact O-N 3.13Å; I142-I175 WeakPolarHBondContact CA-O 3.24Å; I142-I175 HydrophobicContact CG1-CB 4.46Å; F143-I175 PolarHBondContact N-O 3.28Å; I175-V177 HydrophobicContact CG2-CG2 4.15Å; I175-Y209 HydrophobicContact CG2-CD2 3.7Å; I175-Y209 HydrophobicContact CG2-CE2 3.99Å; I175-V222 HydrophobicContact CG2-CG1 4.41Å; I175-D225 HydrophobicContact CD1-CB 4.29Å; I175-D225 WeakPolarHBondContact CD1-OD2 3.42Å; I175-A226 HydrophobicContact CD1-CB 3.81Å; I175-K229 HydrophobicContact CD1-CD 4.47Å |
| 176 | L | 95.8 | Very high | 79 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.3 | 174.8 | -178.8 | 70 | 0 | 0 | 0 | 109.8 | F143 F145 V156 L199 A200 L203 A207 Y208 Y209 | F143-L176 HydrophobicContact CB-CD1 3.93Å; F143-L176 CarbonylContact O-C 3.53Å; F145-L176 HydrophobicContact CD1-CD1 3.81Å; F145-L176 HydrophobicContact CD1-CG 4.32Å; F145-L176 HydrophobicContact CE1-CD1 3.83Å; F145-L176 HydrophobicContact CE1-CD2 4.09Å; F145-L176 HydrophobicContact CE1-CG 3.84Å; V156-L176 HydrophobicContact CG1-CD1 4.07Å; L176-L199 HydrophobicContact CD1-CD2 3.94Å; L176-L199 HydrophobicContact CD1-CG 4.36Å; L176-L199 HydrophobicContact CD2-CB 4.05Å; L176-L199 HydrophobicContact CD2-CD2 3.87Å; L176-L199 HydrophobicContact CD2-CG 3.73Å; L176-A200 HydrophobicContact CD2-CB 3.89Å; L176-L203 HydrophobicContact CD1-CD1 3.98Å; L176-L203 HydrophobicContact CD2-CD1 4.4Å; L176-A207 PolarHBondContact N-O 3.43Å; L176-Y208 HydrophobicContact CB-CD2 4.4Å; L176-Y208 HydrophobicContact CD2-CD2 3.99Å; L176-Y208 HydrophobicContact CG-CD2 4.06Å; L176-Y208 WeakPolarHBondContact O-CA 3.45Å; L176-Y209 PolarHBondContact O-N 2.99Å |
| 177 | V | 95.4 | Very high | 77.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.6 | -175.6 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | L88 I142 F143 V144 F145 I175 T179 Y209 T211 V222 | L88-V177 HydrophobicContact CD2-CG1 4Å; I142-V177 HydrophobicContact CG2-CB 4.31Å; I142-V177 HydrophobicContact CG2-CG2 3.52Å; F143-V177 PolarHBondContact O-N 3.26Å; V144-V177 WeakPolarHBondContact CA-O 3.32Å; V144-V177 HydrophobicContact CG1-CG1 4.44Å; F145-V177 WeakPolarHBondContact CD1-O 3.49Å; F145-V177 PolarHBondContact N-O 2.78Å; I175-V177 HydrophobicContact CG2-CG2 4.15Å; V177-T179 HydrophobicContact CG1-CG2 4.42Å; V177-Y209 WeakPolarHBondContact CA-O 3.4Å; V177-T211 HydrophobicContact CG1-CG2 3.79Å; V177-T211 WeakPolarHBondContact CG1-OG1 3.45Å; V177-V222 HydrophobicContact CG2-CG1 3.73Å; V177-V222 HydrophobicContact CG2-CG2 4.21Å |
| 178 | G | 93.9 | Very high | 76.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F145 Y209 E210 T211 | F145-G178 CarbonylContact O-C 3.4Å; F145-G178 WeakPolarHBondContact O-CA 3.23Å; G178-Y209 PolarHBondContact N-O 3.18Å; G178-E210 WeakPolarHBondContact O-CA 3.14Å; G178-T211 PolarHBondContact O-N 2.68Å; G178-T211 PolarHBondContact O-OG1 3.04Å |
| 179 | T | 92.1 | Very high | 76.7 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 151.3 | 176 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | S83 V144 F145 S146 L147 V177 T211 | S83-T179 WeakPolarHBondContact O-CG2 3.45Å; S83-T179 PolarHBondContact O-OG1 3.06Å; V144-T179 HydrophobicContact CG1-CG2 3.61Å; F145-T179 PolarHBondContact O-N 2.8Å; F145-T179 PolarHBondContact O-OG1 3.37Å; S146-T179 VanDerWaalsContact CA-OG1 3.28Å; S146-T179 WeakPolarHBondContact CA-OG1 3.41Å; L147-T179 WeakPolarHBondContact CB-O 3.07Å; L147-T179 WeakPolarHBondContact CG-O 3.34Å; L147-T179 PolarHBondContact N-O 3.27Å; V177-T179 HydrophobicContact CG1-CG2 4.42Å; T179-T211 CarbonylContact C-O 3.59Å; T179-T211 WeakPolarHBondContact CA-O 3.19Å |
| 180 | Q | 86.6 | Confident | 76.9 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | trans | -138.6 | 74 | 176.6 | -168.9 | -171.7 | -7.4 | 0 | 0 | 109 | L147 Y187 T211 C212 | L147-Q180 HydrophobicContact CD1-CB 4.32Å; Q180-Y187 HydrophobicContact CG-CE2 3.66Å; Q180-Y187 VanDerWaalsContact NE2-CZ 3.26Å; Q180-T211 PolarHBondContact N-O 3.46Å; Q180-C212 PolarHBondContact O-SG 3.29Å | ||
| 181 | D | 74 | Confident | 77.5 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | trans | -108.8 | 2.2 | -165.9 | -67.3 | -27.3 | 0 | 0 | 0 | 114.3 | Y97 C212 A213 | Y97-D181 HydrophobicContact CE2-CB 4.47Å; Y97-D181 PolarHBondContact OH-O 2.76Å; D181-C212 WeakPolarHBondContact OD1-CA 3.37Å; D181-A213 WeakPolarHBondContact OD1-CB 3.39Å; D181-A213 PolarHBondContact OD1-N 3.05Å | ||
| 182 | S | 61.6 | Low | 77.8 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | trans | -78.9 | 132.3 | 172.5 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | E148 | E148-S182 WeakPolarHBondContact OE1-CB 3.02Å; E148-S182 PolarHBondContact OE1-OG 2.92Å; E148-S182 WeakPolarHBondContact OE2-CB 3.39Å; E148-S182 PolarHBondContact OE2-OG 2.96Å; E148-S182 VanDerWaalsContact OE2-OG 3.1Å | ||
| 183 | N | 55.3 | Low | 77.9 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | trans | -103.2 | 23.7 | 171.8 | -67.7 | -23.3 | 0 | 0 | 0 | 111.4 | ||||
| 184 | C | 46.4 | Very low | 77.8 | Confident | 92 Ų | 92 | 51.4 Ų | 51.4 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | trans | -111.6 | 107.3 | -171.4 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | P186 | C184-P186 CarbonylContact O-C 3.5Š| ||
| 185 | E | 49.5 | Very low | 77.7 | Confident | 137 Ų | 137 | 54.6 Ų | 54.6 | 64% | 0.64 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -75.6 | 141.5 | 170.3 | -124.8 | 177.4 | -163.2 | 0 | 0 | 109.9 | F411 | E185-F411 HydrophobicContact CB-CD1 4.18Å; E185-F411 HydrophobicContact CB-CE1 3.3Å; E185-F411 HydrophobicContact CB-CE2 4.41Å; E185-F411 HydrophobicContact CB-CZ 3.45Å; E185-F411 VanDerWaalsContact CB-CZ 3.45Å; E185-F411 HydrophobicContact CG-CE1 4.41Å; E185-F411 VanDerWaalsContact O-CZ 3.27Å; E185-F411 WeakPolarHBondContact O-CZ 3.3Å |
| 186 | P | 49.9 | Very low | 77.6 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | S | Bend | cis | -80.6 | 127.1 | 0.2 | 32.5 | -33.5 | 0 | 0 | 0 | 113 | C184 V188 | C184-P186 CarbonylContact O-C 3.5Å; P186-V188 PolarHBondContact O-N 2.97Å |
| 187 | Y | 56.5 | Low | 77.4 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 121.5 | 173.1 | 169.2 | -110.3 | 0 | 0 | 0 | 111 | E148 Q180 R189 | E148-Y187 HydrophobicContact CG-CD2 4.33Å; E148-Y187 HydrophobicContact CG-CE2 3.88Å; E148-Y187 WeakPolarHBondContact OE1-CE2 3.5Å; Q180-Y187 HydrophobicContact CG-CE2 3.66Å; Q180-Y187 VanDerWaalsContact NE2-CZ 3.26Å; Y187-R189 HydrophobicContact CE1-CB 3.85Å |
| 188 | V | 66.2 | Low | 77.2 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | trans | -117.4 | 96 | 178.5 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | P186 V190 | P186-V188 PolarHBondContact O-N 2.97Å; V188-V190 HydrophobicContact CG1-CG2 4.34Å; V188-V190 PolarHBondContact O-N 3.25Å | ||
| 189 | R | 83.2 | Confident | 77 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | trans | -69.4 | 109.1 | 172.3 | -176.3 | 168 | 175.4 | 151.3 | 3.3 | 110.3 | L147 Y187 I191 E210 | L147-R189 HydrophobicContact CB-CG 4.44Å; Y187-R189 HydrophobicContact CE1-CB 3.85Å; R189-I191 WeakPolarHBondContact CG-O 3.38Å; R189-I191 PolarHBondContact NE-O 3.01Å; R189-I191 PolarHBondContact NH2-O 3.3Å; R189-E210 IonicContact CZ-OE1 3.33Å; R189-E210 VanDerWaalsContact CZ-OE1 3.25Å; R189-E210 IonicContact CZ-OE2 3.68Å; R189-E210 VanDerWaalsContact NH1-CD 3.3Å; R189-E210 IonicContact NH1-OE1 2.91Å; R189-E210 PolarHBondContact NH1-OE1 2.9Å; R189-E210 IonicContact NH1-OE2 3.45Å; R189-E210 PolarHBondContact NH1-OE2 3.37Å; R189-E210 IonicContact NH2-OE1 3.48Å; R189-E210 PolarHBondContact NH2-OE1 3.36Å | ||
| 190 | V | 84.9 | Confident | 77 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | trans | -87.3 | -28.8 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | L147 E148 I150 V188 R195 | L147-V190 PolarHBondContact O-N 3.39Å; E148-V190 WeakPolarHBondContact O-CG2 3.37Å; I150-V190 HydrophobicContact CB-CG1 3.98Å; V188-V190 HydrophobicContact CG1-CG2 4.34Å; V188-V190 PolarHBondContact O-N 3.25Å; V190-R195 PolarHBondContact O-NH1 3.01Å; V190-R195 VanDerWaalsContact O-NH1 3.12Å; V190-R195 PolarHBondContact O-NH2 3.5Å | ||
| 191 | I | 88.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -104.6 | 109.5 | 176.4 | -64.1 | 127.9 | 0 | 0 | 0 | 110.1 | F145 S146 L147 I150 Y153 R189 R195 A196 | F145-I191 HydrophobicContact CD2-CD1 3.99Å; F145-I191 HydrophobicContact CE2-CB 4.33Å; F145-I191 HydrophobicContact CE2-CD1 4.13Å; F145-I191 HydrophobicContact CE2-CG2 3.86Å; F145-I191 HydrophobicContact CZ-CG2 4.47Å; S146-I191 WeakPolarHBondContact O-CD1 3.21Å; L147-I191 HydrophobicContact CD2-CB 4.48Å; L147-I191 PolarHBondContact O-N 2.96Å; I150-I191 HydrophobicContact CD1-CG1 3.99Å; Y153-I191 HydrophobicContact CD2-CD1 4.42Å; Y153-I191 HydrophobicContact CD2-CG1 4.13Å; Y153-I191 HydrophobicContact CD2-CG2 3.87Å; Y153-I191 HydrophobicContact CE2-CG2 4.14Å; Y153-I191 HydrophobicContact CG-CD1 4.2Å; Y153-I191 HydrophobicContact CG-CG1 4.08Å; R189-I191 WeakPolarHBondContact CG-O 3.38Å; R189-I191 PolarHBondContact NE-O 3.01Å; R189-I191 PolarHBondContact NH2-O 3.3Å; I191-R195 HydrophobicContact CG2-CB 4.4Å; I191-A196 HydrophobicContact CG2-CB 4.19Å |
| 192 | D | 87.9 | Confident | 77.8 | Confident | 67 Ų | 67 | 71 Ų | 71 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -68.6 | 154.6 | 173.5 | 62.4 | -80.8 | 0 | 0 | 0 | 112.2 | A194 R195 A196 | D192-A194 VanDerWaalsContact C-N 3.29Å; D192-A194 PolarHBondContact O-N 3.16Å; D192-A194 WeakPolarHBondContact OD2-CB 3.29Å; D192-A194 PolarHBondContact OD2-N 3.13Å; D192-R195 WeakPolarHBondContact O-CB 3.49Å; D192-R195 PolarHBondContact O-N 3.17Å; D192-R195 VanDerWaalsContact OD1-CB 3.31Å; D192-R195 WeakPolarHBondContact OD1-CB 3.45Å; D192-R195 IonicContact OD1-CZ 3.47Å; D192-R195 IonicContact OD1-NE 2.85Å; D192-R195 PolarHBondContact OD1-NE 2.64Å; D192-R195 IonicContact OD1-NH2 3.9Å; D192-R195 PolarHBondContact OD1-NH2 3.24Å; D192-R195 WeakPolarHBondContact OD2-CB 3.25Å; D192-R195 PolarHBondContact OD2-N 3.06Å; D192-A196 PolarHBondContact O-N 3.23Å | ||
| 193 | D | 88.8 | Confident | 79 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.9 | -36.2 | -179.3 | 174.4 | 59.2 | 0 | 0 | 0 | 112.9 | R195 A196 R197 | D193-R195 PolarHBondContact O-N 3.04Å; D193-A196 PolarHBondContact O-N 3.32Å; D193-R197 WeakPolarHBondContact O-CB 3.46Å; D193-R197 WeakPolarHBondContact O-CG 3.16Å; D193-R197 PolarHBondContact O-N 3.35Å; D193-R197 IonicContact OD1-CZ 3.05Å; D193-R197 IonicContact OD1-NE 3.04Å; D193-R197 PolarHBondContact OD1-NE 3.25Å; D193-R197 IonicContact OD1-NH1 3.92Å; D193-R197 IonicContact OD1-NH2 2.86Å; D193-R197 PolarHBondContact OD1-NH2 2.94Å; D193-R197 IonicContact OD2-CZ 3.17Å; D193-R197 IonicContact OD2-NE 2.75Å; D193-R197 PolarHBondContact OD2-NE 2.93Å; D193-R197 IonicContact OD2-NH2 2.78Å; D193-R197 PolarHBondContact OD2-NH2 2.88Å |
| 194 | A | 89.7 | Confident | 80.2 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D192 K198 | D192-A194 VanDerWaalsContact C-N 3.29Å; D192-A194 PolarHBondContact O-N 3.16Å; D192-A194 WeakPolarHBondContact OD2-CB 3.29Å; D192-A194 PolarHBondContact OD2-N 3.13Å; A194-K198 WeakPolarHBondContact O-CB 3.35Å; A194-K198 PolarHBondContact O-N 2.85Å |
| 195 | R | 91.5 | Very high | 81.7 | Confident | 83 Ų | 83 | 75 Ų | 75 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 172.6 | -167.2 | -170.8 | -40.4 | 172.5 | 13.1 | 112 | Y153 V190 I191 D192 D193 K198 L199 | Y153-R195 HydrophobicContact CE1-CG 4.39Å; Y153-R195 HydrophobicContact CE2-CG 4.07Å; Y153-R195 WeakPolarHBondContact OH-CG 3.1Å; Y153-R195 PolarHBondContact OH-O 3.28Å; V190-R195 PolarHBondContact O-NH1 3.01Å; V190-R195 VanDerWaalsContact O-NH1 3.12Å; V190-R195 PolarHBondContact O-NH2 3.5Å; I191-R195 HydrophobicContact CG2-CB 4.4Å; D192-R195 WeakPolarHBondContact O-CB 3.49Å; D192-R195 PolarHBondContact O-N 3.17Å; D192-R195 VanDerWaalsContact OD1-CB 3.31Å; D192-R195 WeakPolarHBondContact OD1-CB 3.45Å; D192-R195 IonicContact OD1-CZ 3.47Å; D192-R195 IonicContact OD1-NE 2.85Å; D192-R195 PolarHBondContact OD1-NE 2.64Å; D192-R195 IonicContact OD1-NH2 3.9Å; D192-R195 PolarHBondContact OD1-NH2 3.24Å; D192-R195 WeakPolarHBondContact OD2-CB 3.25Å; D192-R195 PolarHBondContact OD2-N 3.06Å; D193-R195 PolarHBondContact O-N 3.04Å; R195-K198 WeakPolarHBondContact O-CB 3.12Å; R195-K198 PolarHBondContact O-N 2.78Å; R195-L199 PolarHBondContact O-N 3.34Å |
| 196 | A | 91.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F145 I191 D192 D193 K198 L199 A200 Y208 | F145-A196 HydrophobicContact CZ-CB 3.92Å; I191-A196 HydrophobicContact CG2-CB 4.19Å; D192-A196 PolarHBondContact O-N 3.23Å; D193-A196 PolarHBondContact O-N 3.32Å; A196-K198 VanDerWaalsContact C-N 3.29Å; A196-K198 PolarHBondContact O-N 3.46Å; A196-L199 PolarHBondContact O-N 3.38Å; A196-A200 PolarHBondContact O-N 3.29Å; A196-Y208 HydrophobicContact CB-CE1 3.81Å; A196-Y208 HydrophobicContact CB-CE2 3.85Å; A196-Y208 VanDerWaalsContact CB-CZ 3.42Å; A196-Y208 WeakPolarHBondContact CB-OH 3.47Å |
| 197 | R | 91.6 | Very high | 85.5 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 172.6 | -67.9 | -173.7 | -150.9 | -77.5 | -4.3 | 112.5 | D193 A200 N201 Y208 | D193-R197 WeakPolarHBondContact O-CB 3.46Å; D193-R197 WeakPolarHBondContact O-CG 3.16Å; D193-R197 PolarHBondContact O-N 3.35Å; D193-R197 IonicContact OD1-CZ 3.05Å; D193-R197 IonicContact OD1-NE 3.04Å; D193-R197 PolarHBondContact OD1-NE 3.25Å; D193-R197 IonicContact OD1-NH1 3.92Å; D193-R197 IonicContact OD1-NH2 2.86Å; D193-R197 PolarHBondContact OD1-NH2 2.94Å; D193-R197 IonicContact OD2-CZ 3.17Å; D193-R197 IonicContact OD2-NE 2.75Å; D193-R197 PolarHBondContact OD2-NE 2.93Å; D193-R197 IonicContact OD2-NH2 2.78Å; D193-R197 PolarHBondContact OD2-NH2 2.88Å; R197-A200 PolarHBondContact O-N 2.88Å; R197-N201 PolarHBondContact O-N 3.14Å; R197-N201 PolarHBondContact O-ND2 2.64Å; R197-Y208 HydrophobicContact CG-CD1 4.1Å |
| 198 | K | 91.2 | Very high | 87.3 | Confident | 125 Ų | 125 | 62.8 Ų | 62.8 | 54% | 0.543 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -50.7 | 171.9 | -172.3 | -169.3 | 169.7 | -168.8 | 0 | 110.5 | A194 R195 A196 A200 N201 D202 | A194-K198 WeakPolarHBondContact O-CB 3.35Å; A194-K198 PolarHBondContact O-N 2.85Å; R195-K198 WeakPolarHBondContact O-CB 3.12Å; R195-K198 PolarHBondContact O-N 2.78Å; A196-K198 VanDerWaalsContact C-N 3.29Å; A196-K198 PolarHBondContact O-N 3.46Å; K198-A200 VanDerWaalsContact C-N 3.25Å; K198-A200 PolarHBondContact O-N 3.44Å; K198-N201 WeakPolarHBondContact O-CB 3.39Å; K198-N201 PolarHBondContact O-N 2.98Å; K198-D202 PolarHBondContact O-N 2.71Å |
| 199 | L | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -53.2 | -44.3 | 174.2 | 177.6 | 60.3 | 0 | 0 | 0 | 111.1 | F145 Y153 V156 Y157 L176 R195 A196 N201 D202 L203 | F145-L199 HydrophobicContact CE1-CD2 4.48Å; Y153-L199 HydrophobicContact CD2-CD2 3.72Å; Y153-L199 HydrophobicContact CE2-CB 3.81Å; Y153-L199 HydrophobicContact CE2-CD2 3.48Å; Y153-L199 VanDerWaalsContact CE2-CD2 3.48Å; Y153-L199 HydrophobicContact CE2-CG 4.23Å; V156-L199 HydrophobicContact CB-CD2 4.34Å; V156-L199 HydrophobicContact CG1-CD1 4.35Å; V156-L199 HydrophobicContact CG1-CD2 4.07Å; Y157-L199 HydrophobicContact CD1-CD1 4.13Å; Y157-L199 HydrophobicContact CD2-CD1 3.9Å; Y157-L199 HydrophobicContact CE1-CD1 3.76Å; Y157-L199 HydrophobicContact CE2-CD1 3.53Å; Y157-L199 HydrophobicContact CG-CD1 4.2Å; Y157-L199 VanDerWaalsContact CZ-CD1 3.44Å; L176-L199 HydrophobicContact CD1-CD2 3.94Å; L176-L199 HydrophobicContact CD1-CG 4.36Å; L176-L199 HydrophobicContact CD2-CB 4.05Å; L176-L199 HydrophobicContact CD2-CD2 3.87Å; L176-L199 HydrophobicContact CD2-CG 3.73Å; R195-L199 PolarHBondContact O-N 3.34Å; A196-L199 PolarHBondContact O-N 3.38Å; L199-N201 VanDerWaalsContact C-N 3.34Å; L199-N201 PolarHBondContact O-N 2.83Å; L199-D202 PolarHBondContact O-N 2.97Å; L199-L203 HydrophobicContact CD1-CD1 3.73Å; L199-L203 HydrophobicContact CD1-CD2 4.46Å; L199-L203 HydrophobicContact CD1-CG 3.85Å; L199-L203 HydrophobicContact CG-CD1 3.79Å; L199-L203 HydrophobicContact CG-CG 4.29Å; L199-L203 WeakPolarHBondContact O-CB 3.45Å; L199-L203 VanDerWaalsContact O-CG 3.23Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.33Å |
| 200 | A | 91.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L176 A196 R197 K198 L203 R205 C206 | L176-A200 HydrophobicContact CD2-CB 3.89Å; A196-A200 PolarHBondContact O-N 3.29Å; R197-A200 PolarHBondContact O-N 2.88Å; K198-A200 VanDerWaalsContact C-N 3.25Å; K198-A200 PolarHBondContact O-N 3.44Å; A200-L203 CarbonylContact O-C 3.5Å; A200-R205 CarbonylContact O-C 3.5Å; A200-R205 WeakPolarHBondContact O-CA 3.28Å; A200-R205 PolarHBondContact O-N 2.89Å; A200-C206 VanDerWaalsContact CA-SG 3.59Å; A200-C206 PolarHBondContact O-N 2.93Å; A200-C206 PolarHBondContact O-SG 3.49Å |
| 201 | N | 90.1 | Very high | 89.4 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 175.4 | -81 | -73.8 | 0 | 0 | 0 | 112.2 | R197 K198 L199 L203 K204 R205 | R197-N201 PolarHBondContact O-N 3.14Å; R197-N201 PolarHBondContact O-ND2 2.64Å; K198-N201 WeakPolarHBondContact O-CB 3.39Å; K198-N201 PolarHBondContact O-N 2.98Å; L199-N201 VanDerWaalsContact C-N 3.34Å; L199-N201 PolarHBondContact O-N 2.83Å; N201-L203 VanDerWaalsContact C-N 3.33Å; N201-K204 PolarHBondContact O-N 2.87Å; N201-R205 PolarHBondContact O-N 3.06Å |
| 202 | D | 88.3 | Confident | 89.5 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 177.3 | -63.9 | -18.4 | 0 | 0 | 0 | 110.8 | Y157 K198 L199 K204 | Y157-D202 HydrophobicContact CE1-CB 4.21Å; Y157-D202 PolarHBondContact OH-OD2 3.12Å; K198-D202 PolarHBondContact O-N 2.71Å; L199-D202 PolarHBondContact O-N 2.97Å; D202-K204 PolarHBondContact O-N 2.94Å |
| 203 | L | 86.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 48.1 | 170.8 | -62.1 | 177.4 | 0 | 0 | 0 | 112.7 | V156 Y160 L176 L199 A200 N201 R205 C206 | V156-L203 HydrophobicContact CG1-CD1 3.78Å; Y160-L203 HydrophobicContact CD1-CD2 3.51Å; Y160-L203 HydrophobicContact CD2-CD2 3.64Å; Y160-L203 HydrophobicContact CE1-CD2 4.02Å; Y160-L203 HydrophobicContact CE2-CD2 4.14Å; Y160-L203 HydrophobicContact CG-CD2 3.29Å; L176-L203 HydrophobicContact CD1-CD1 3.98Å; L176-L203 HydrophobicContact CD2-CD1 4.4Å; L199-L203 HydrophobicContact CD1-CD1 3.73Å; L199-L203 HydrophobicContact CD1-CD2 4.46Å; L199-L203 HydrophobicContact CD1-CG 3.85Å; L199-L203 HydrophobicContact CG-CD1 3.79Å; L199-L203 HydrophobicContact CG-CG 4.29Å; L199-L203 WeakPolarHBondContact O-CB 3.45Å; L199-L203 VanDerWaalsContact O-CG 3.23Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.33Å; A200-L203 CarbonylContact O-C 3.5Å; N201-L203 VanDerWaalsContact C-N 3.33Å; L203-R205 PolarHBondContact O-N 3.49Å; L203-C206 WeakPolarHBondContact O-CB 3.4Å; L203-C206 PolarHBondContact O-N 3.43Å |
| 204 | K | 79.5 | Confident | 89.3 | Confident | 101 Ų | 101 | 52 Ų | 52 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 25.7 | 177.1 | -52.2 | -164.3 | 175 | -167.5 | 0 | 116.6 | Y160 T169 N201 D202 C206 | Y160-K204 WeakPolarHBondContact OH-CE 3.48Å; Y160-K204 WeakPolarHBondContact OH-CG 3.31Å; T169-K204 WeakPolarHBondContact O-CE 3.29Å; T169-K204 PolarHBondContact O-NZ 3.21Å; T169-K204 WeakPolarHBondContact OG1-CE 3.39Å; T169-K204 PolarHBondContact OG1-NZ 3.04Å; N201-K204 PolarHBondContact O-N 2.87Å; D202-K204 PolarHBondContact O-N 2.94Å; K204-C206 VanDerWaalsContact C-N 3.29Å |
| 205 | R | 78.4 | Confident | 88.9 | Confident | 207 Ų | 207 | 56.7 Ų | 56.7 | 78% | 0.781 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 43.7 | -173 | -46.9 | 178.1 | -179.9 | 178.7 | -1.8 | 111.2 | A200 N201 L203 | A200-R205 CarbonylContact O-C 3.5Å; A200-R205 WeakPolarHBondContact O-CA 3.28Å; A200-R205 PolarHBondContact O-N 2.89Å; N201-R205 PolarHBondContact O-N 3.06Å; L203-R205 PolarHBondContact O-N 3.49Å |
| 206 | C | 87.1 | Confident | 88.6 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | trans | -62.1 | 161.1 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 111 | I174 A200 L203 K204 Y208 | I174-C206 HydrophobicContact CB-CB 4.31Å; I174-C206 HydrophobicContact CG2-CB 4.11Å; I174-C206 VanDerWaalsContact O-CB 3.28Å; I174-C206 WeakPolarHBondContact O-CB 3.31Å; A200-C206 VanDerWaalsContact CA-SG 3.59Å; A200-C206 PolarHBondContact O-N 2.93Å; A200-C206 PolarHBondContact O-SG 3.49Å; L203-C206 WeakPolarHBondContact O-CB 3.4Å; L203-C206 PolarHBondContact O-N 3.43Å; K204-C206 VanDerWaalsContact C-N 3.29Å; C206-Y208 PolarHBondContact O-N 3.09Å | ||
| 207 | A | 91.3 | Very high | 88.5 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 21% | 0.207 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L176 Y209 | L176-A207 PolarHBondContact N-O 3.43Å; A207-Y209 HydrophobicContact CB-CD2 4.39Å; A207-Y209 HydrophobicContact CB-CE2 3.64Å |
| 208 | Y | 93.9 | Very high | 88.5 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.8 | 174.3 | 174 | -121.7 | 0 | 0 | 0 | 110.3 | F145 L176 A196 R197 C206 E210 | F145-Y208 HydrophobicContact CE1-CE2 4.04Å; F145-Y208 AromaticContact CZ-CE2 3.93Å; F145-Y208 HydrophobicContact CZ-CE2 3.93Å; L176-Y208 HydrophobicContact CB-CD2 4.4Å; L176-Y208 HydrophobicContact CD2-CD2 3.99Å; L176-Y208 HydrophobicContact CG-CD2 4.06Å; L176-Y208 WeakPolarHBondContact O-CA 3.45Å; A196-Y208 HydrophobicContact CB-CE1 3.81Å; A196-Y208 HydrophobicContact CB-CE2 3.85Å; A196-Y208 VanDerWaalsContact CB-CZ 3.42Å; A196-Y208 WeakPolarHBondContact CB-OH 3.47Å; R197-Y208 HydrophobicContact CG-CD1 4.1Å; C206-Y208 PolarHBondContact O-N 3.09Å; Y208-E210 HydrophobicContact CE1-CG 3.95Å; Y208-E210 WeakPolarHBondContact OH-CG 3.47Å; Y208-E210 PolarHBondContact OH-OE1 3.25Å |
| 209 | Y | 94.5 | Very high | 88.5 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.9 | 174.6 | -64.2 | -84 | 0 | 0 | 0 | 110.9 | I175 L176 V177 G178 A207 V222 D225 | I175-Y209 HydrophobicContact CG2-CD2 3.7Å; I175-Y209 HydrophobicContact CG2-CE2 3.99Å; L176-Y209 PolarHBondContact O-N 2.99Å; V177-Y209 WeakPolarHBondContact CA-O 3.4Å; G178-Y209 PolarHBondContact N-O 3.18Å; A207-Y209 HydrophobicContact CB-CD2 4.39Å; A207-Y209 HydrophobicContact CB-CE2 3.64Å; Y209-V222 HydrophobicContact CD1-CG2 4.36Å; Y209-V222 HydrophobicContact CD2-CG2 3.81Å; Y209-V222 HydrophobicContact CG-CG2 3.69Å; Y209-D225 PolarHBondContact OH-OD2 3.13Å |
| 210 | E | 93.1 | Very high | 88.5 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 129.2 | 162.5 | -67.4 | -174.7 | 179.6 | 0 | 0 | 108.5 | L147 G178 R189 Y208 N218 | L147-E210 HydrophobicContact CD1-CG 4.33Å; G178-E210 WeakPolarHBondContact O-CA 3.14Å; R189-E210 IonicContact CZ-OE1 3.33Å; R189-E210 VanDerWaalsContact CZ-OE1 3.25Å; R189-E210 IonicContact CZ-OE2 3.68Å; R189-E210 VanDerWaalsContact NH1-CD 3.3Å; R189-E210 IonicContact NH1-OE1 2.91Å; R189-E210 PolarHBondContact NH1-OE1 2.9Å; R189-E210 IonicContact NH1-OE2 3.45Å; R189-E210 PolarHBondContact NH1-OE2 3.37Å; R189-E210 IonicContact NH2-OE1 3.48Å; R189-E210 PolarHBondContact NH2-OE1 3.36Å; Y208-E210 HydrophobicContact CE1-CG 3.95Å; Y208-E210 WeakPolarHBondContact OH-CG 3.47Å; Y208-E210 PolarHBondContact OH-OE1 3.25Å; E210-N218 WeakPolarHBondContact O-CB 3.44Å; E210-N218 PolarHBondContact O-ND2 2.9Å |
| 211 | T | 91.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.1 | -178 | 55.1 | 0 | 0 | 0 | 0 | 111 | L88 V177 G178 T179 Q180 L217 N218 V222 | L88-T211 HydrophobicContact CD1-CG2 4.34Å; V177-T211 HydrophobicContact CG1-CG2 3.79Å; V177-T211 WeakPolarHBondContact CG1-OG1 3.45Å; G178-T211 PolarHBondContact O-N 2.68Å; G178-T211 PolarHBondContact O-OG1 3.04Å; T179-T211 CarbonylContact C-O 3.59Å; T179-T211 WeakPolarHBondContact CA-O 3.19Å; Q180-T211 PolarHBondContact N-O 3.46Å; T211-L217 VanDerWaalsContact CA-O 3.27Å; T211-L217 WeakPolarHBondContact CA-O 3.36Å; T211-L217 WeakPolarHBondContact CB-O 3.13Å; T211-N218 HydrophobicContact CG2-CB 3.93Å; T211-V222 HydrophobicContact CG2-CG2 3.76Å |
| 212 | C | 90.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 115.6 | 169 | 173.3 | 0 | 0 | 0 | 0 | 108.2 | Q180 D181 A214 Y215 G216 L217 | Q180-C212 PolarHBondContact O-SG 3.29Å; D181-C212 WeakPolarHBondContact OD1-CA 3.37Å; C212-A214 VanDerWaalsContact C-N 3.25Å; C212-A214 PolarHBondContact O-N 2.94Å; C212-A214 PolarHBondContact SG-N 3.38Å; C212-A214 VanDerWaalsContact SG-N 3.43Å; C212-Y215 HydrophobicContact CB-CD2 4.36Å; C212-Y215 WeakPolarHBondContact SG-CD2 3.46Å; C212-Y215 PolarHBondContact SG-N 3.2Å; C212-Y215 VanDerWaalsContact SG-N 3.43Å; C212-G216 CarbonylContact O-C 3.57Å; C212-G216 VanDerWaalsContact O-CA 3.29Å; C212-G216 WeakPolarHBondContact O-CA 3.4Å; C212-G216 PolarHBondContact O-N 2.75Å; C212-L217 HydrophobicContact CB-CB 4.08Å; C212-L217 PolarHBondContact N-O 2.71Å; C212-L217 PolarHBondContact O-N 2.72Å |
| 213 | A | 87.6 | Confident | 89 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A87 R91 Y97 D181 | A87-A213 HydrophobicContact CB-CB 4.34Å; R91-A213 HydrophobicContact CB-CB 4.11Å; R91-A213 VanDerWaalsContact CD-O 3.31Å; R91-A213 WeakPolarHBondContact CD-O 3.36Å; R91-A213 WeakPolarHBondContact CG-O 3.41Å; R91-A213 PolarHBondContact NH1-O 2.97Å; Y97-A213 WeakPolarHBondContact CB-O 3.47Å; Y97-A213 VanDerWaalsContact CD2-C 3.48Å; Y97-A213 HydrophobicContact CD2-CB 3.68Å; Y97-A213 HydrophobicContact CE2-CB 3.84Å; D181-A213 WeakPolarHBondContact OD1-CB 3.39Å; D181-A213 PolarHBondContact OD1-N 3.05Å |
| 214 | A | 84.5 | Confident | 89.2 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | R91 Y97 C212 | R91-A214 PolarHBondContact NH1-O 2.82Å; Y97-A214 HydrophobicContact CD1-CB 3.63Å; Y97-A214 HydrophobicContact CD2-CB 4.49Å; Y97-A214 HydrophobicContact CE1-CB 3.7Å; Y97-A214 VanDerWaalsContact CG-CA 3.46Å; Y97-A214 HydrophobicContact CG-CB 4.06Å; C212-A214 VanDerWaalsContact C-N 3.25Å; C212-A214 PolarHBondContact O-N 2.94Å; C212-A214 PolarHBondContact SG-N 3.38Å; C212-A214 VanDerWaalsContact SG-N 3.43Å |
| 215 | Y | 82.3 | Confident | 89.9 | Confident | 167 Ų | 167 | 52 Ų | 52 | 66% | 0.655 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | -15.6 | 177.4 | -59.3 | -65 | 0 | 0 | 0 | 113.8 | C212 | C212-Y215 HydrophobicContact CB-CD2 4.36Å; C212-Y215 WeakPolarHBondContact SG-CD2 3.46Å; C212-Y215 PolarHBondContact SG-N 3.2Å; C212-Y215 VanDerWaalsContact SG-N 3.43Å |
| 216 | G | 85 | Confident | 90.6 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 28% | 0.278 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 14.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | C212 N218 | C212-G216 CarbonylContact O-C 3.57Å; C212-G216 VanDerWaalsContact O-CA 3.29Å; C212-G216 WeakPolarHBondContact O-CA 3.4Å; C212-G216 PolarHBondContact O-N 2.75Å; G216-N218 PolarHBondContact O-N 3.46Å |
| 217 | L | 88.7 | Confident | 90.8 | Very high | 91 Ų | 91 | 41.5 Ų | 41.5 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | B | Isolated β-bridge | trans | -62.1 | 125 | -176.6 | 179.1 | 64.2 | 0 | 0 | 0 | 111.2 | T211 C212 V219 | T211-L217 VanDerWaalsContact CA-O 3.27Å; T211-L217 WeakPolarHBondContact CA-O 3.36Å; T211-L217 WeakPolarHBondContact CB-O 3.13Å; C212-L217 HydrophobicContact CB-CB 4.08Å; C212-L217 PolarHBondContact N-O 2.71Å; C212-L217 PolarHBondContact O-N 2.72Å; L217-V219 PolarHBondContact O-N 3.12Å |
| 218 | N | 90.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 25% | 0.251 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | -3.2 | -179.6 | -70.7 | -47.5 | 0 | 0 | 0 | 117.2 | E210 T211 G216 E220 R221 V222 | E210-N218 WeakPolarHBondContact O-CB 3.44Å; E210-N218 PolarHBondContact O-ND2 2.9Å; T211-N218 HydrophobicContact CG2-CB 3.93Å; G216-N218 PolarHBondContact O-N 3.46Å; N218-E220 PolarHBondContact O-N 2.69Å; N218-R221 WeakPolarHBondContact O-CA 3.25Å; N218-R221 VanDerWaalsContact O-CB 3.3Å; N218-R221 WeakPolarHBondContact O-CB 3.47Å; N218-R221 PolarHBondContact O-N 3.42Å; N218-V222 PolarHBondContact O-N 3.37Å |
| 219 | V | 91.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -52.5 | -59.8 | -173.8 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | L88 R91 L217 R221 V222 F223 | L88-V219 HydrophobicContact CD1-CB 4.26Å; L88-V219 HydrophobicContact CD1-CG1 3.92Å; L88-V219 HydrophobicContact CD1-CG2 3.78Å; R91-V219 HydrophobicContact CB-CG1 4.34Å; R91-V219 HydrophobicContact CG-CG1 4.22Å; R91-V219 HydrophobicContact CG-CG2 4.17Å; L217-V219 PolarHBondContact O-N 3.12Å; V219-R221 PolarHBondContact O-N 3.48Å; V219-V222 PolarHBondContact O-N 3.21Å; V219-F223 HydrophobicContact CG1-CE2 4.42Å; V219-F223 WeakPolarHBondContact O-CD2 3.31Å; V219-F223 PolarHBondContact O-N 3.4Å |
| 220 | E | 91.3 | Very high | 90.4 | Very high | 81 Ų | 81 | 41.6 Ų | 41.6 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.7 | -37.9 | 178.9 | -174 | 61.5 | -149.5 | 0 | 0 | 112.3 | Y92 K110 N218 V222 F223 Q224 | Y92-E220 VanDerWaalsContact CD2-OE2 3.27Å; Y92-E220 WeakPolarHBondContact CD2-OE2 3.35Å; Y92-E220 WeakPolarHBondContact CE2-OE2 3.45Å; K110-E220 IonicContact NZ-OE2 2.8Å; N218-E220 PolarHBondContact O-N 2.69Å; E220-V222 PolarHBondContact O-N 3.12Å; E220-F223 PolarHBondContact O-N 3.48Å; E220-Q224 WeakPolarHBondContact O-CB 3.28Å; E220-Q224 VanDerWaalsContact O-CG 3.29Å; E220-Q224 WeakPolarHBondContact O-CG 3.5Å; E220-Q224 PolarHBondContact O-N 2.88Å; E220-Q224 PolarHBondContact OE1-NE2 3.34Å |
| 221 | R | 91.8 | Very high | 90.2 | Very high | 157 Ų | 157 | 40.8 Ų | 40.8 | 59% | 0.592 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -66.2 | -38.9 | -178.5 | -163.5 | -175.6 | -151.9 | 156.5 | 8.1 | 112.7 | N218 V219 D225 | N218-R221 WeakPolarHBondContact O-CA 3.25Å; N218-R221 VanDerWaalsContact O-CB 3.3Å; N218-R221 WeakPolarHBondContact O-CB 3.47Å; N218-R221 PolarHBondContact O-N 3.42Å; V219-R221 PolarHBondContact O-N 3.48Å; R221-D225 VanDerWaalsContact O-CB 3.27Å; R221-D225 WeakPolarHBondContact O-CB 3.22Å; R221-D225 PolarHBondContact O-N 2.92Å |
| 222 | V | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 178.2 | 166 | 0 | 0 | 0 | 0 | 110.8 | I142 I175 V177 Y209 T211 N218 V219 E220 A226 | I142-V222 HydrophobicContact CD1-CG1 3.94Å; I142-V222 HydrophobicContact CG2-CG1 4.41Å; I175-V222 HydrophobicContact CG2-CG1 4.41Å; V177-V222 HydrophobicContact CG2-CG1 3.73Å; V177-V222 HydrophobicContact CG2-CG2 4.21Å; Y209-V222 HydrophobicContact CD1-CG2 4.36Å; Y209-V222 HydrophobicContact CD2-CG2 3.81Å; Y209-V222 HydrophobicContact CG-CG2 3.69Å; T211-V222 HydrophobicContact CG2-CG2 3.76Å; N218-V222 PolarHBondContact O-N 3.37Å; V219-V222 PolarHBondContact O-N 3.21Å; E220-V222 PolarHBondContact O-N 3.12Å; V222-A226 WeakPolarHBondContact O-CB 3.47Å; V222-A226 PolarHBondContact O-N 2.6Å |
| 223 | F | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 179.2 | -76.9 | -88.5 | 0 | 0 | 0 | 112.1 | L75 L77 L88 V89 Y92 I123 I142 V219 E220 A226 C227 | L75-F223 HydrophobicContact CD2-CD1 3.52Å; L75-F223 HydrophobicContact CD2-CE1 3.87Å; L77-F223 HydrophobicContact CD1-CE1 4.38Å; L77-F223 HydrophobicContact CD2-CZ 4.28Å; L88-F223 HydrophobicContact CG-CE2 4.25Å; V89-F223 HydrophobicContact CG2-CZ 4.11Å; Y92-F223 VanDerWaalsContact CB-CE2 3.47Å; Y92-F223 HydrophobicContact CD1-CB 4.22Å; Y92-F223 AromaticContact CD1-CD1 3.54Å; Y92-F223 HydrophobicContact CD1-CD1 3.54Å; Y92-F223 AromaticContact CD1-CD2 3.78Å; Y92-F223 HydrophobicContact CD1-CD2 3.78Å; Y92-F223 AromaticContact CD1-CE1 3.75Å; Y92-F223 HydrophobicContact CD1-CE1 3.75Å; Y92-F223 AromaticContact CD1-CE2 3.98Å; Y92-F223 HydrophobicContact CD1-CE2 3.98Å; Y92-F223 AromaticContact CD1-CG 3.57Å; Y92-F223 HydrophobicContact CD1-CG 3.57Å; Y92-F223 AromaticContact CD1-CZ 3.96Å; Y92-F223 HydrophobicContact CD1-CZ 3.96Å; Y92-F223 HydrophobicContact CD2-CB 3.83Å; Y92-F223 AromaticContact CD2-CD2 3.63Å; Y92-F223 HydrophobicContact CD2-CD2 3.63Å; Y92-F223 HydrophobicContact CD2-CE2 4.35Å; Y92-F223 AromaticContact CD2-CG 3.76Å; Y92-F223 HydrophobicContact CD2-CG 3.76Å; Y92-F223 HydrophobicContact CE1-CB 3.89Å; Y92-F223 AromaticContact CE1-CD1 3.57Å; Y92-F223 HydrophobicContact CE1-CD1 3.57Å; Y92-F223 HydrophobicContact CE1-CD2 4.32Å; Y92-F223 HydrophobicContact CE1-CE1 4.16Å; Y92-F223 AromaticContact CE1-CG 3.67Å; Y92-F223 HydrophobicContact CE1-CG 3.67Å; Y92-F223 HydrophobicContact CE2-CB 3.46Å; Y92-F223 VanDerWaalsContact CE2-CB 3.46Å; Y92-F223 HydrophobicContact CE2-CD2 4.19Å; Y92-F223 AromaticContact CE2-CG 3.85Å; Y92-F223 HydrophobicContact CE2-CG 3.85Å; Y92-F223 HydrophobicContact CG-CB 4.18Å; Y92-F223 HydrophobicContact CG-CD1 4.05Å; Y92-F223 AromaticContact CG-CD2 3.38Å; Y92-F223 HydrophobicContact CG-CD2 3.38Å; Y92-F223 HydrophobicContact CG-CE1 4.3Å; Y92-F223 AromaticContact CG-CE2 3.67Å; Y92-F223 HydrophobicContact CG-CE2 3.67Å; Y92-F223 AromaticContact CG-CG 3.6Å; Y92-F223 HydrophobicContact CG-CG 3.6Å; Y92-F223 HydrophobicContact CG-CZ 4.13Å; Y92-F223 VanDerWaalsContact CZ-CB 3.48Å; Y92-F223 AromaticContact CZ-CG 3.8Å; I123-F223 HydrophobicContact CD1-CD1 4.49Å; I123-F223 HydrophobicContact CD1-CE1 4.13Å; I142-F223 HydrophobicContact CD1-CD1 4.37Å; I142-F223 HydrophobicContact CD1-CE1 4.3Å; V219-F223 HydrophobicContact CG1-CE2 4.42Å; V219-F223 WeakPolarHBondContact O-CD2 3.31Å; V219-F223 PolarHBondContact O-N 3.4Å; E220-F223 PolarHBondContact O-N 3.48Å; F223-A226 PolarHBondContact O-N 3.23Å; F223-C227 PolarHBondContact O-N 2.97Å; F223-C227 PolarHBondContact O-SG 2.96Å |
| 224 | Q | 91.6 | Very high | 89.6 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.8 | -72 | 179.1 | 5.8 | 0 | 0 | 112.3 | E220 A226 C227 L228 | E220-Q224 WeakPolarHBondContact O-CB 3.28Å; E220-Q224 VanDerWaalsContact O-CG 3.29Å; E220-Q224 WeakPolarHBondContact O-CG 3.5Å; E220-Q224 PolarHBondContact O-N 2.88Å; E220-Q224 PolarHBondContact OE1-NE2 3.34Å; Q224-A226 PolarHBondContact O-N 3.04Å; Q224-C227 PolarHBondContact O-N 2.72Å; Q224-L228 WeakPolarHBondContact O-CB 3.5Å; Q224-L228 VanDerWaalsContact O-CG 3.31Å; Q224-L228 WeakPolarHBondContact O-CG 3.39Å; Q224-L228 PolarHBondContact O-N 3.37Å |
| 225 | D | 92.6 | Very high | 89.3 | Confident | 33 Ų | 33 | 56.8 Ų | 56.8 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.2 | 176.8 | 60.1 | 0 | 0 | 0 | 112.3 | I175 Y209 R221 K229 | I175-D225 HydrophobicContact CD1-CB 4.29Å; I175-D225 WeakPolarHBondContact CD1-OD2 3.42Å; Y209-D225 PolarHBondContact OH-OD2 3.13Å; R221-D225 VanDerWaalsContact O-CB 3.27Å; R221-D225 WeakPolarHBondContact O-CB 3.22Å; R221-D225 PolarHBondContact O-N 2.92Å; D225-K229 WeakPolarHBondContact O-CB 3.27Å; D225-K229 WeakPolarHBondContact O-CG 3.36Å; D225-K229 PolarHBondContact O-N 3.31Å; D225-K229 WeakPolarHBondContact OD1-CE 3.45Å; D225-K229 IonicContact OD1-NZ 3.04Å; D225-K229 PolarHBondContact OD1-NZ 3.29Å; D225-K229 WeakPolarHBondContact OD2-CE 3.22Å; D225-K229 IonicContact OD2-NZ 2.64Å; D225-K229 PolarHBondContact OD2-NZ 2.83Å |
| 226 | A | 93.2 | Very high | 88.7 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L75 I142 I175 V222 F223 Q224 K229 I230 | L75-A226 HydrophobicContact CD1-CB 3.87Å; L75-A226 HydrophobicContact CD2-CB 4.36Å; I142-A226 HydrophobicContact CD1-CB 4.2Å; I142-A226 HydrophobicContact CG1-CB 4.34Å; I175-A226 HydrophobicContact CD1-CB 3.81Å; V222-A226 WeakPolarHBondContact O-CB 3.47Å; V222-A226 PolarHBondContact O-N 2.6Å; F223-A226 PolarHBondContact O-N 3.23Å; Q224-A226 PolarHBondContact O-N 3.04Å; A226-K229 PolarHBondContact O-N 3.5Å; A226-I230 WeakPolarHBondContact O-CG1 3.45Å; A226-I230 PolarHBondContact O-N 3.22Å |
| 227 | C | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -40.1 | -177.8 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | I73 L112 L114 F223 Q224 K229 I230 L231 | I73-C227 HydrophobicContact CD1-CB 4.32Å; L112-C227 HydrophobicContact CD2-CB 3.47Å; L112-C227 VanDerWaalsContact CD2-CB 3.47Å; L112-C227 VanDerWaalsContact CD2-SG 3.53Å; L114-C227 HydrophobicContact CD1-CB 3.99Å; F223-C227 PolarHBondContact O-N 2.97Å; F223-C227 PolarHBondContact O-SG 2.96Å; Q224-C227 PolarHBondContact O-N 2.72Å; C227-K229 VanDerWaalsContact C-N 3.34Å; C227-K229 PolarHBondContact O-N 3.12Å; C227-I230 WeakPolarHBondContact O-CB 3.03Å; C227-I230 PolarHBondContact O-N 3.21Å; C227-L231 WeakPolarHBondContact O-CG 3.41Å; C227-L231 PolarHBondContact O-N 3.11Å |
| 228 | L | 90.7 | Very high | 85.3 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 174 | -76.1 | 167.3 | 0 | 0 | 0 | 111.7 | L114 Q224 L231 Q232 | L114-L228 HydrophobicContact CD1-CD2 4.01Å; L114-L228 HydrophobicContact CD1-CG 4.07Å; L114-L228 HydrophobicContact CD2-CD2 4.16Å; L114-L228 HydrophobicContact CD2-CG 4.24Å; Q224-L228 WeakPolarHBondContact O-CB 3.5Å; Q224-L228 VanDerWaalsContact O-CG 3.31Å; Q224-L228 WeakPolarHBondContact O-CG 3.39Å; Q224-L228 PolarHBondContact O-N 3.37Å; L228-L231 PolarHBondContact O-N 2.93Å; L228-Q232 WeakPolarHBondContact O-CB 3.16Å; L228-Q232 VanDerWaalsContact O-CG 3.24Å; L228-Q232 WeakPolarHBondContact O-CG 3.47Å; L228-Q232 PolarHBondContact O-N 2.76Å |
| 229 | K | 90.7 | Very high | 82.8 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 176 | -75.2 | 167.7 | 176.4 | 162.9 | 0 | 113.1 | P173 I175 D225 A226 C227 L233 | P173-K229 HydrophobicContact CB-CB 3.72Å; P173-K229 HydrophobicContact CG-CB 4.33Å; I175-K229 HydrophobicContact CD1-CD 4.47Å; D225-K229 WeakPolarHBondContact O-CB 3.27Å; D225-K229 WeakPolarHBondContact O-CG 3.36Å; D225-K229 PolarHBondContact O-N 3.31Å; D225-K229 WeakPolarHBondContact OD1-CE 3.45Å; D225-K229 IonicContact OD1-NZ 3.04Å; D225-K229 PolarHBondContact OD1-NZ 3.29Å; D225-K229 WeakPolarHBondContact OD2-CE 3.22Å; D225-K229 IonicContact OD2-NZ 2.64Å; D225-K229 PolarHBondContact OD2-NZ 2.83Å; A226-K229 PolarHBondContact O-N 3.5Å; C227-K229 VanDerWaalsContact C-N 3.34Å; C227-K229 PolarHBondContact O-N 3.12Å; K229-L233 WeakPolarHBondContact O-CG 3.42Å; K229-L233 PolarHBondContact O-N 2.86Å |
| 230 | I | 90.7 | Very high | 80.2 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 171 | -69.3 | 165.3 | 0 | 0 | 0 | 110.4 | I73 L75 D139 P173 A226 C227 L233 R234 | I73-I230 HydrophobicContact CG2-CB 4.43Å; I73-I230 HydrophobicContact CG2-CD1 3.7Å; I73-I230 HydrophobicContact CG2-CG2 4.1Å; L75-I230 HydrophobicContact CD1-CD1 4.24Å; D139-I230 HydrophobicContact CB-CD1 4.02Å; D139-I230 HydrophobicContact CB-CG1 4.14Å; D139-I230 HydrophobicContact CB-CG2 3.59Å; P173-I230 HydrophobicContact CG-CB 4.43Å; P173-I230 HydrophobicContact CG-CG1 3.5Å; A226-I230 WeakPolarHBondContact O-CG1 3.45Å; A226-I230 PolarHBondContact O-N 3.22Å; C227-I230 WeakPolarHBondContact O-CB 3.03Å; C227-I230 PolarHBondContact O-N 3.21Å; I230-L233 PolarHBondContact O-N 2.93Å; I230-R234 WeakPolarHBondContact O-CB 3.42Å; I230-R234 VanDerWaalsContact O-CG 3.31Å; I230-R234 WeakPolarHBondContact O-CG 3.28Å; I230-R234 PolarHBondContact O-N 2.89Å |
| 231 | L | 88.3 | Confident | 77.9 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 179.1 | -68.1 | 175.6 | 0 | 0 | 0 | 112.4 | I73 L114 C227 L228 R234 A235 | I73-L231 HydrophobicContact CD1-CD1 4.18Å; I73-L231 HydrophobicContact CD1-CD2 4.03Å; I73-L231 HydrophobicContact CD1-CG 4.07Å; I73-L231 HydrophobicContact CG1-CD2 4.41Å; L114-L231 HydrophobicContact CB-CD1 4.48Å; L114-L231 HydrophobicContact CD1-CD1 3.79Å; C227-L231 WeakPolarHBondContact O-CG 3.41Å; C227-L231 PolarHBondContact O-N 3.11Å; L228-L231 PolarHBondContact O-N 2.93Å; L231-R234 PolarHBondContact O-N 2.62Å; L231-A235 WeakPolarHBondContact O-CB 3.38Å; L231-A235 PolarHBondContact O-N 2.95Å |
| 232 | Q | 87.5 | Confident | 75 | Confident | 125 Ų | 125 | 59 Ų | 59 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 174.8 | -73.2 | 167.8 | 13 | 0 | 0 | 112.6 | L228 A235 S236 | L228-Q232 WeakPolarHBondContact O-CB 3.16Å; L228-Q232 VanDerWaalsContact O-CG 3.24Å; L228-Q232 WeakPolarHBondContact O-CG 3.47Å; L228-Q232 PolarHBondContact O-N 2.76Å; Q232-A235 PolarHBondContact O-N 2.96Å; Q232-S236 PolarHBondContact O-N 3.26Å |
| 233 | L | 85.8 | Confident | 72.1 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 176.2 | -76.8 | 167.8 | 0 | 0 | 0 | 112.5 | P173 K229 I230 S236 | P173-L233 HydrophobicContact CB-CD1 3.73Å; P173-L233 VanDerWaalsContact CD-CD1 3.46Å; P173-L233 HydrophobicContact CG-CD1 3.8Å; K229-L233 WeakPolarHBondContact O-CG 3.42Å; K229-L233 PolarHBondContact O-N 2.86Å; I230-L233 PolarHBondContact O-N 2.93Å; L233-S236 PolarHBondContact O-N 2.89Å; L233-S236 PolarHBondContact O-OG 2.93Å; L233-S236 VanDerWaalsContact O-OG 3.07Å |
| 234 | R | 83.6 | Confident | 69.1 | Low | 86 Ų | 86 | 75.4 Ų | 75.4 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 171.6 | -73.1 | 167.2 | 166.7 | -160.1 | -5.4 | 111.3 | G72 D139 I230 L231 S236 G237 | G72-R234 VanDerWaalsContact O-CZ 3.29Å; G72-R234 PolarHBondContact O-NH1 3.37Å; G72-R234 PolarHBondContact O-NH2 3.47Å; D139-R234 IonicContact OD1-CZ 3.35Å; D139-R234 IonicContact OD1-NE 3.12Å; D139-R234 PolarHBondContact OD1-NE 3.46Å; D139-R234 VanDerWaalsContact OD1-NE 3.12Å; D139-R234 IonicContact OD1-NH2 2.8Å; D139-R234 PolarHBondContact OD1-NH2 2.85Å; D139-R234 IonicContact OD2-CZ 3.79Å; D139-R234 IonicContact OD2-NH2 2.79Å; D139-R234 PolarHBondContact OD2-NH2 2.74Å; I230-R234 WeakPolarHBondContact O-CB 3.42Å; I230-R234 VanDerWaalsContact O-CG 3.31Å; I230-R234 WeakPolarHBondContact O-CG 3.28Å; I230-R234 PolarHBondContact O-N 2.89Å; L231-R234 PolarHBondContact O-N 2.62Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 3.34Å; R234-G237 PolarHBondContact O-N 2.82Å |
| 235 | A | 78.5 | Confident | 66.1 | Low | 89 Ų | 89 | 79.4 Ų | 79.4 | 74% | 0.736 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.3 | -29.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L231 Q232 G237 | L231-A235 WeakPolarHBondContact O-CB 3.38Å; L231-A235 PolarHBondContact O-N 2.95Å; Q232-A235 PolarHBondContact O-N 2.96Å; A235-G237 PolarHBondContact O-N 3.25Å |
| 236 | S | 68.2 | Low | 63.3 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 4 | 177.6 | 87.1 | 0 | 0 | 0 | 0 | 114.4 | Q232 L233 R234 N238 | Q232-S236 PolarHBondContact O-N 3.26Å; L233-S236 PolarHBondContact O-N 2.89Å; L233-S236 PolarHBondContact O-OG 2.93Å; L233-S236 VanDerWaalsContact O-OG 3.07Å; R234-S236 VanDerWaalsContact C-N 3.32Å; R234-S236 PolarHBondContact O-N 3.34Å; S236-N238 PolarHBondContact O-N 3.12Å; S236-N238 VanDerWaalsContact O-N 3.17Å |
| 237 | G | 57.1 | Low | 60.2 | Low | 61 Ų | 61 | 88 Ų | 88 | 63% | 0.629 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -8.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R234 A235 S239 | R234-G237 PolarHBondContact O-N 2.82Å; A235-G237 PolarHBondContact O-N 3.25Å; G237-S239 VanDerWaalsContact C-N 3.26Å; G237-S239 PolarHBondContact O-N 3.23Å |
| 238 | N | 46.5 | Very low | 57 | Low | 128 Ų | 128 | 96.6 Ų | 96.6 | 68% | 0.684 | 55% | 0.547 | S | S | * | . | trans | -84.7 | 51.2 | -175.1 | -81.7 | -22.3 | 0 | 0 | 0 | 113.1 | S236 P240 | S236-N238 PolarHBondContact O-N 3.12Å; S236-N238 VanDerWaalsContact O-N 3.17Å; N238-P240 WeakPolarHBondContact O-CD 3.23Å | ||
| 239 | S | 38.7 | Very low | 54.1 | Low | 73 Ų | 73 | 101 Ų | 101 | 51% | 0.51 | 57% | 0.57 | S | S | . | * | trans | -102.2 | 108.2 | -179.9 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | G237 V241 | G237-S239 VanDerWaalsContact C-N 3.26Å; G237-S239 PolarHBondContact O-N 3.23Å; S239-V241 PolarHBondContact O-N 3.04Å | ||
| 240 | P | 35.8 | Very low | 51.1 | Low | 83 Ų | 83 | 104 Ų | 104 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | trans | -95.1 | 57.6 | -176.2 | 38.6 | -36.1 | 0 | 0 | 0 | 112.7 | N238 | N238-P240 WeakPolarHBondContact O-CD 3.23Š| ||
| 241 | V | 43.1 | Very low | 48.1 | Very low | 91 Ų | 91 | 108.8 Ų | 108.8 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | trans | -135.8 | 113.5 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | S239 | S239-V241 PolarHBondContact O-N 3.04Š| ||
| 242 | P | 31.4 | Very low | 45.2 | Very low | 119 Ų | 119 | 114.5 Ų | 114.5 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | trans | -65 | 134.9 | 171.6 | -19.3 | 32.4 | 0 | 0 | 0 | 110.9 | ||||
| 243 | R | 33.8 | Very low | 42.4 | Very low | 220 Ų | 220 | 113.3 Ų | 113.3 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | trans | -67.9 | 145.3 | 165 | -54.3 | 179.2 | -156.9 | -126 | 0.3 | 108.7 | I245 | R243-I245 WeakPolarHBondContact O-CG1 3.44Å; R243-I245 PolarHBondContact O-N 3.22Å; R243-I245 VanDerWaalsContact O-N 3.1Å | ||
| 244 | P | 31.9 | Very low | 39.9 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 69% | 0.691 | S | S | * | * | trans | -56.6 | 115.5 | 161.4 | -22.3 | 33.8 | 0 | 0 | 0 | 109.5 | T246 | P244-T246 PolarHBondContact O-N 3.46Š| ||
| 245 | I | 28.4 | Very low | 37.2 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 82% | 0.821 | 71% | 0.713 | S | S | * | * | trans | -87.3 | 84.7 | -179.6 | -54.7 | -179.3 | 0 | 0 | 0 | 108.8 | R243 | R243-I245 WeakPolarHBondContact O-CG1 3.44Å; R243-I245 PolarHBondContact O-N 3.22Å; R243-I245 VanDerWaalsContact O-N 3.1Å | ||
| 246 | T | 33.8 | Very low | 35 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | -70.6 | 127.2 | 163.2 | -46.3 | 0 | 0 | 0 | 0 | 108.1 | P244 Q248 | P244-T246 PolarHBondContact O-N 3.46Å; T246-Q248 PolarHBondContact O-N 3.21Å | ||
| 247 | P | 27.2 | Very low | 33 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | trans | -67.2 | 122.8 | -161.8 | 23.1 | -34.1 | 0 | 0 | 0 | 113.8 | I249 | P247-I249 PolarHBondContact O-N 3.06Å; P247-I249 VanDerWaalsContact O-N 3.1Å | ||
| 248 | Q | 26.2 | Very low | 31.7 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | -72.7 | 94 | 167.4 | -72.8 | -74.2 | -54 | 0 | 0 | 109.5 | T246 S250 | T246-Q248 PolarHBondContact O-N 3.21Å; Q248-S250 VanDerWaalsContact C-N 3.34Å; Q248-S250 PolarHBondContact O-N 3.4Å | ||
| 249 | I | 29.5 | Very low | 30.8 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -74.1 | 91 | 171.1 | -59.2 | -179 | 0 | 0 | 0 | 108.8 | P247 S251 | P247-I249 PolarHBondContact O-N 3.06Å; P247-I249 VanDerWaalsContact O-N 3.1Å; I249-S251 PolarHBondContact O-N 2.91Å | ||
| 250 | S | 26.3 | Very low | 30.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -77.9 | 106.7 | 166.9 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | Q248 | Q248-S250 VanDerWaalsContact C-N 3.34Å; Q248-S250 PolarHBondContact O-N 3.4Å | ||
| 251 | S | 28.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -123.1 | 96.6 | 174.2 | 45.4 | 0 | 0 | 0 | 0 | 112.3 | I249 | I249-S251 PolarHBondContact O-N 2.91Š| ||
| 252 | N | 26.6 | Very low | 29.4 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -70.6 | -179.4 | 152.7 | -99.6 | -33.7 | 0 | 0 | 0 | 110 | ||||
| 253 | S | 29.9 | Very low | 29.3 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 65.6 | 102.8 | 168.4 | 47.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 254 | Q | 32.1 | Very low | 29 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | 48.6 | 111.5 | 116.2 | -66.2 | 169.2 | -30.5 | 0 | 0 | 120.6 | |||||
| 255 | Q | 27.9 | Very low | 28.7 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | 57.9 | 133.1 | 129.7 | -64.8 | -172.9 | -15.4 | 0 | 0 | 121.8 | |||||
| 256 | R | 31 | Very low | 28.8 | Very low | 243 Ų | 243 | 135.1 Ų | 135.1 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | 71 | 152.6 | 170.2 | -55.2 | 173.3 | 177.5 | -178.4 | -2 | 114.6 | ||||
| 257 | A | 27.6 | Very low | 28.5 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -173.3 | 176 | -28.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 258 | C | 29.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 71 | 77.8 | 161.6 | -54.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 259 | A | 28 | Very low | 29.1 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 41.4 | 141.2 | 118.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 260 | N | 28.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 67.5 | 101.6 | 152 | -55.9 | -12.7 | 0 | 0 | 0 | 118 | ||||
| 261 | S | 30 | Very low | 29.6 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 174.8 | 159.8 | 71.8 | 45.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 262 | P | 29 | Very low | 29.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -108 | 128.8 | 174.3 | 36.1 | -26.9 | 0 | 0 | 0 | 113.3 | ||||
| 263 | V | 29.1 | Very low | 30.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -141.5 | 151.3 | 169.8 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 264 | E | 27 | Very low | 30.2 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 165.5 | -170.6 | -56.5 | 160.4 | 99.3 | 0 | 0 | 115.1 | ||||
| 265 | C | 26.7 | Very low | 30.3 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | 161.4 | 145.9 | 138.7 | -85.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 266 | V | 29.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | cis | -158.5 | 141.5 | -20.5 | 149 | 0 | 0 | 0 | 0 | 107.2 | I268 | V266-I268 HydrophobicContact CG1-CG1 3.84Š| ||
| 267 | P | 27.2 | Very low | 30.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -97.6 | 148.1 | 159.7 | 36.2 | -30.3 | 0 | 0 | 0 | 112.1 | ||||
| 268 | I | 33.7 | Very low | 30.8 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | trans | -113.9 | 110.7 | -167.8 | -67.4 | -175.7 | 0 | 0 | 0 | 113.9 | V266 | V266-I268 HydrophobicContact CG1-CG1 3.84Š| ||
| 269 | V | 33.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 54.3 | 138.1 | 136.2 | -174.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 270 | G | 31.7 | Very low | 31 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | -171 | -166.3 | 3.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 271 | I | 34.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | -151.9 | 147.8 | 17.9 | -64.7 | 175.4 | 0 | 0 | 0 | 110.4 | ||||
| 272 | S | 32.8 | Very low | 31.4 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 48.6 | 118.2 | 165.2 | 61.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 273 | Q | 32.7 | Very low | 31.5 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | 73 | 140 | 63.8 | -72.1 | -175.4 | 4.1 | 0 | 0 | 114.8 | |||||
| 274 | S | 32.5 | Very low | 31.6 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | cis | -158.9 | 179.1 | -5.6 | 53.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 275 | Q | 34.4 | Very low | 31.8 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | cis | -132.3 | 173.5 | 21.3 | -76.3 | -172.1 | 28.5 | 0 | 0 | 109.9 | ||||
| 276 | Q | 31.2 | Very low | 32.1 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | cis | 68.6 | 129.8 | 45.5 | -58.6 | -172.9 | 6.1 | 0 | 0 | 115.6 | ||||
| 277 | S | 31.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | -157.6 | -177.2 | -7.7 | 45.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 278 | L | 32.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | cis | -155.4 | 179.2 | 32.3 | -63.5 | 161.7 | 0 | 0 | 0 | 107.8 | ||||
| 279 | F | 31.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | cis | -161.9 | 165.8 | -13.9 | -118.1 | -15.2 | 0 | 0 | 0 | 111.2 | ||||
| 280 | S | 31.9 | Very low | 32.2 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | trans | 28 | 138.8 | 134.2 | -47.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 281 | N | 34.1 | Very low | 32.1 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | cis | -173.7 | -177.2 | 28.9 | -116 | 10.1 | 0 | 0 | 0 | 109.2 | ||||
| 282 | V | 32.2 | Very low | 32 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | cis | -177.6 | 155.4 | -32.7 | 128.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 283 | V | 31.4 | Very low | 32.1 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | cis | -171 | 146.3 | -41.5 | 85.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 284 | N | 30.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | 69 | 157.6 | 154.1 | -69.4 | -16.8 | 0 | 0 | 0 | 122.2 | ||||
| 285 | A | 32.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -153.9 | -150.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 286 | R | 31.7 | Very low | 31.4 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -161.7 | 169.6 | 12.5 | -155.7 | 176.3 | 170.1 | 142.5 | 13.4 | 113.9 | ||||
| 287 | E | 30.5 | Very low | 31 | Very low | 141 Ų | 141 | 132 Ų | 132 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | trans | -51.7 | 172.4 | 174.6 | -48.6 | 87.6 | 75.8 | 0 | 0 | 117 | ||||
| 288 | G | 29.9 | Very low | 30.7 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | -171.4 | -166.4 | 21.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 289 | P | 38.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | trans | -138.2 | 174.9 | -146 | 43.4 | -27.1 | 0 | 0 | 0 | 120.9 | ||||
| 290 | L | 27.9 | Very low | 30.2 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | trans | 108.3 | 122.6 | 139.5 | -134.2 | 82.9 | 0 | 0 | 0 | 123.8 | ||||
| 291 | M | 28.4 | Very low | 30 | Very low | 158 Ų | 158 | 133 Ų | 133 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | trans | 65.7 | 111.5 | 142.6 | -95 | -175.3 | -178.8 | 0 | 0 | 124.3 | ||||
| 292 | K | 33.3 | Very low | 29.6 | Very low | 203 Ų | 203 | 132 Ų | 132 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | 177.2 | 142.8 | 104.5 | -96.3 | 168.4 | -175.2 | 174.9 | 0 | 114.1 | |||||
| 293 | N | 34 | Very low | 29.4 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -83.1 | 164.9 | 162.7 | -103.4 | -35.1 | 0 | 0 | 0 | 110 | ||||
| 294 | P | 33.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -144.9 | 168.4 | 32.8 | 43.1 | -24.8 | 0 | 0 | 0 | 118.5 | ||||
| 295 | G | 25.3 | Very low | 29.2 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | 65 | 133.6 | 123.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 296 | V | 26.2 | Very low | 29.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 76.7 | 119 | 156.5 | -175.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 297 | N | 24.3 | Very low | 29 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 64.5 | 164.4 | 171.6 | -60.2 | -19.7 | 0 | 0 | 0 | 114.3 | ||||
| 298 | C | 25.5 | Very low | 29.1 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | -143.6 | 178.1 | 13.1 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 299 | N | 25 | Very low | 29.1 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -60.9 | 156 | 172.5 | -65.7 | -37 | 0 | 0 | 0 | 114.1 | ||||
| 300 | V | 27.2 | Very low | 28.9 | Very low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | 27.6 | 108.4 | 133.6 | -171.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 301 | T | 27.4 | Very low | 29.1 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -140.7 | 123.9 | 141.2 | 49.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 302 | N | 27.3 | Very low | 29.4 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | cis | 57.9 | 97.4 | 47.7 | -70.2 | -8.3 | 0 | 0 | 0 | 114.4 | V304 | N302-V304 HydrophobicContact CB-CG2 4.39Å; N302-V304 WeakPolarHBondContact O-CG2 3.38Å | ||
| 303 | T | 26.5 | Very low | 29.4 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -88.4 | 121 | 136 | 34.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 304 | V | 29.3 | Very low | 29.4 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | cis | 70.3 | 107.1 | 28.5 | -171.4 | 0 | 0 | 0 | 0 | 114 | N302 | N302-V304 HydrophobicContact CB-CG2 4.39Å; N302-V304 WeakPolarHBondContact O-CG2 3.38Å | ||
| 305 | T | 29 | Very low | 29.5 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | trans | -133.6 | 144.7 | 146.7 | 43.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 306 | S | 29.9 | Very low | 29.8 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -153.1 | 154.1 | -170.9 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 307 | G | 30.7 | Very low | 30.3 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -179.5 | 170.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 308 | I | 31 | Very low | 30.7 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | cis | -146.5 | 145.3 | 0.6 | -39.2 | 172.3 | 0 | 0 | 0 | 103.7 | ||||
| 309 | D | 31.4 | Very low | 31.1 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 57% | 0.572 | 74% | 0.742 | S | S | * | * | -174 | 174.5 | 53 | -167.2 | 2.2 | 0 | 0 | 0 | 110.2 | |||||
| 310 | R | 32.8 | Very low | 31.8 | Very low | 204 Ų | 204 | 134.6 Ų | 134.6 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 66.6 | 124.3 | 163.2 | -70.3 | 150.4 | -141.3 | -155.7 | 5.2 | 116.7 | ||||
| 311 | K | 33.5 | Very low | 32 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | cis | -160.8 | 162.1 | 11 | -100 | -168.7 | 175.6 | -76.1 | 0 | 108.4 | ||||
| 312 | E | 33.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | cis | -171.2 | 132 | -15.1 | -175.4 | 154.9 | -99.1 | 0 | 0 | 112.6 | ||||
| 313 | R | 33.5 | Very low | 32.3 | Very low | 217 Ų | 217 | 137.7 Ų | 137.7 | 82% | 0.819 | 74% | 0.735 | S | S | * | * | trans | 64.9 | 154.2 | 157 | -77.5 | 179.1 | -174.5 | -97.8 | -2.7 | 120.8 | ||||
| 314 | P | 35.2 | Very low | 32.5 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | cis | -141.9 | 158.6 | -25.5 | 36.2 | -17.9 | 0 | 0 | 0 | 117.6 | ||||
| 315 | V | 34.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | 73.5 | 143.1 | 145.8 | 163.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 316 | F | 31.7 | Very low | 33 | Very low | 177 Ų | 177 | 141 Ų | 141 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | cis | 160.8 | 173.6 | -33.4 | -97.8 | -41 | 0 | 0 | 0 | 108.8 | ||||
| 317 | P | 37.4 | Very low | 33.1 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | cis | -142.5 | 166.6 | -34.2 | 40.2 | -22.8 | 0 | 0 | 0 | 116.6 | ||||
| 318 | N | 32.8 | Very low | 33.2 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | 54 | 157.6 | 132.8 | -64.5 | -2.9 | 0 | 0 | 0 | 124.7 | ||||
| 319 | N | 33.5 | Very low | 33.1 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | cis | -159.3 | -123.4 | -23.4 | -168.1 | 13.4 | 0 | 0 | 0 | 112.1 | ||||
| 320 | P | 39.6 | Very low | 33.4 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | trans | -138.3 | 176.9 | -143.2 | 45.3 | -24.9 | 0 | 0 | 0 | 121.4 | ||||
| 321 | S | 31.4 | Very low | 33.5 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | 110.1 | 146.7 | 129.4 | 81.5 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 322 | N | 29.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | trans | 96.4 | 127.4 | 139.3 | -84 | -56 | 0 | 0 | 0 | 124.8 | ||||
| 323 | R | 33.4 | Very low | 33.2 | Very low | 221 Ų | 221 | 138.7 Ų | 138.7 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | 72.6 | 126.7 | 154.5 | -56.3 | 158.7 | -161.3 | -121.3 | 3.6 | 117.6 | ||||
| 324 | R | 30.8 | Very low | 32.9 | Very low | 241 Ų | 241 | 134.2 Ų | 134.2 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | 71.9 | 142.8 | 50.3 | -92.3 | -159.7 | -179.9 | -172.9 | 2.1 | 115 | |||||
| 325 | P | 40.2 | Very low | 32.5 | Very low | 90 Ų | 90 | 137 Ų | 137 | 58% | 0.584 | 72% | 0.724 | S | S | * | * | -138.3 | -151.1 | -59.2 | 30.4 | -4.7 | 0 | 0 | 0 | 111.9 | |||||
| 326 | D | 28.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 74.4 | 153.3 | 156.8 | -51.8 | -28.5 | 0 | 0 | 0 | 119 | ||||
| 327 | T | 31.4 | Very low | 32 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | cis | -165.5 | 174.4 | -17.4 | 27.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 328 | H | 32.4 | Very low | 31.5 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | trans | 72 | 151.8 | 161 | -59.3 | -57.7 | 0 | 0 | 0 | 119.1 | ||||
| 329 | S | 29.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | cis | -163.5 | 161.1 | -18.2 | -94.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 330 | N | 36.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 71% | 0.712 | S | S | * | * | trans | -102 | 152.1 | 175.2 | -150.9 | 20.8 | 0 | 0 | 0 | 110.8 | ||||
| 331 | P | 36.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | -149.5 | -171.4 | 94.6 | 38.1 | -18.4 | 0 | 0 | 0 | 112.7 | |||||
| 332 | G | 30.2 | Very low | 30.7 | Very low | 60 Ų | 60 | 137.1 Ų | 137.1 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | cis | 143.2 | 163.8 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 333 | F | 28.8 | Very low | 30.7 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | 71.6 | 160.6 | -179.6 | -76.9 | -102.3 | 0 | 0 | 0 | 119.2 | ||||
| 334 | E | 28.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 58% | 0.575 | 73% | 0.726 | S | S | * | * | -174.6 | 160.1 | -51.3 | -138 | 168.2 | -160.9 | 0 | 0 | 111.2 | |||||
| 335 | F | 26.9 | Very low | 30.2 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | trans | 61.3 | 156.7 | 155.9 | -66.8 | -46 | 0 | 0 | 0 | 120.6 | ||||
| 336 | D | 27.8 | Very low | 29.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 59% | 0.588 | 72% | 0.721 | S | S | * | * | cis | -158.9 | 166.4 | -11.4 | -124.7 | -20.8 | 0 | 0 | 0 | 117.3 | ||||
| 337 | F | 27.3 | Very low | 29.3 | Very low | 167 Ų | 167 | 133 Ų | 133 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | 35.3 | 137.2 | 148.9 | -79 | -57.8 | 0 | 0 | 0 | 128.9 | ||||
| 338 | N | 27.1 | Very low | 29 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | trans | 84.6 | 140.2 | 130.2 | -89.7 | 17.3 | 0 | 0 | 0 | 127.7 | ||||
| 339 | E | 30.1 | Very low | 28.8 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 63.7 | 148.8 | 139.5 | -72.2 | 166.3 | 142.6 | 0 | 0 | 119.8 | ||||
| 340 | D | 30.8 | Very low | 29.1 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | cis | -161 | 169.6 | 6.9 | -155.7 | -8.1 | 0 | 0 | 0 | 112.9 | ||||
| 341 | S | 30.1 | Very low | 28.5 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | 69.4 | 158.6 | 152.3 | 79.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 342 | G | 29.4 | Very low | 28.2 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | trans | -179.1 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 343 | L | 29 | Very low | 28.4 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | 61 | 135.1 | 174.4 | -67.4 | 167.6 | 0 | 0 | 0 | 122 | ||||
| 344 | H | 27.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | trans | 67.9 | 100.9 | 141.9 | -90.4 | -112.1 | 0 | 0 | 0 | 124.6 | ||||
| 345 | Q | 25.2 | Very low | 28.7 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 75.7 | 115 | 108.6 | -116 | -179.8 | 11.9 | 0 | 0 | 123.2 | |||||
| 346 | T | 26.1 | Very low | 28.9 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 86.6 | 134.5 | 132.7 | 23.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 347 | L | 24.5 | Very low | 28.9 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | 92.2 | 105.3 | 147.6 | -66.8 | 159.7 | 0 | 0 | 0 | 121.7 | ||||
| 348 | V | 25.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | 79.5 | 97.9 | 132.5 | -176.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 349 | H | 27.3 | Very low | 29 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | 59.1 | 173.5 | 146.1 | -85.8 | -62 | 0 | 0 | 0 | 119.2 | ||||
| 350 | P | 34.9 | Very low | 29 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -130.6 | 169.5 | -21.4 | 32.9 | -14.1 | 0 | 0 | 0 | 115.7 | ||||
| 351 | A | 24.9 | Very low | 28.8 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 53.5 | 119.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 352 | K | 31.3 | Very low | 28.6 | Very low | 206 Ų | 206 | 139 Ų | 139 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | 69.6 | 170 | 150 | -65.9 | -177.1 | 177 | -178.4 | 0 | 117.4 | ||||
| 353 | P | 34.5 | Very low | 28.5 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -125.3 | -179.1 | -9.6 | 35.2 | -16.9 | 0 | 0 | 0 | 115.1 | ||||
| 354 | N | 34.5 | Very low | 28.3 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -80.7 | 142.2 | 166.8 | -83.6 | -29.1 | 0 | 0 | 0 | 113.1 | ||||
| 355 | L | 28.5 | Very low | 28.2 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -142 | 109.2 | 152.3 | -82.7 | 172.3 | 0 | 0 | 0 | 107.4 | ||||
| 356 | L | 30.5 | Very low | 28.2 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 77.6 | 95.7 | 77.7 | -92.3 | 161.5 | 0 | 0 | 0 | 116.1 | |||||
| 357 | S | 27.5 | Very low | 28.2 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 51.2 | 119.4 | 134.8 | 65.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 358 | I | 26.7 | Very low | 28.2 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -129.4 | 156 | 148 | -65.6 | -177 | 0 | 0 | 0 | 108.4 | ||||
| 359 | A | 30.3 | Very low | 28.3 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 62.6 | 82.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 360 | K | 29.7 | Very low | 28.3 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 127 | 136.3 | -68.4 | 174.5 | 177.9 | 175.3 | 0 | 107.7 | ||||
| 361 | H | 27.5 | Very low | 27.9 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -168 | 124.1 | 142.6 | -105.5 | -72.6 | 0 | 0 | 0 | 111.8 | ||||
| 362 | S | 25.8 | Very low | 28 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 18.3 | 113.3 | 153.6 | -176.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 363 | L | 26 | Very low | 27.9 | Very low | 140 Ų | 140 | 150 Ų | 150 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | -173.3 | 86.8 | 127.5 | -101.4 | 165 | 0 | 0 | 0 | 111.1 | L365 | L363-L365 HydrophobicContact CD2-CD2 3.98Å; L363-L365 HydrophobicContact CD2-CG 3.99Å; L363-L365 PolarHBondContact O-N 2.96Å | |||
| 364 | T | 26 | Very low | 27.5 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -78.8 | 96.4 | 158.5 | 45.2 | 0 | 0 | 0 | 0 | 108.1 | D366 | T364-D366 PolarHBondContact O-N 3.38Š| ||
| 365 | L | 25.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | trans | -78.9 | 98.4 | 174.5 | -80.7 | 168.2 | 0 | 0 | 0 | 110.2 | L363 F367 | L363-L365 HydrophobicContact CD2-CD2 3.98Å; L363-L365 HydrophobicContact CD2-CG 3.99Å; L363-L365 PolarHBondContact O-N 2.96Å; L365-F367 PolarHBondContact O-N 3.4Å; L365-F367 VanDerWaalsContact O-N 3.08Å | ||
| 366 | D | 25.1 | Very low | 27.2 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -59 | 107 | 162.6 | -76.9 | -47.8 | 0 | 0 | 0 | 109.2 | T364 R368 | T364-D366 PolarHBondContact O-N 3.38Å; D366-R368 PolarHBondContact O-N 3.35Å | ||
| 367 | F | 26.6 | Very low | 27.1 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -72.7 | 76.6 | 173.4 | -96.7 | -85.2 | 0 | 0 | 0 | 111 | L365 P369 | L365-F367 PolarHBondContact O-N 3.4Å; L365-F367 VanDerWaalsContact O-N 3.08Å; F367-P369 WeakPolarHBondContact O-CD 3.44Å | ||
| 368 | R | 24.2 | Very low | 27 | Very low | 220 Ų | 220 | 154 Ų | 154 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -85 | 115.4 | 157 | -83.1 | -175 | 166.5 | -167.2 | -3.6 | 109.2 | D366 S370 | D366-R368 PolarHBondContact O-N 3.35Å; R368-S370 PolarHBondContact O-N 3.09Å; R368-S370 VanDerWaalsContact O-N 3.07Å | ||
| 369 | P | 28.3 | Very low | 27.2 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -75.8 | 92.7 | 162.7 | 0.5 | 17.7 | 0 | 0 | 0 | 107.9 | F367 | F367-P369 WeakPolarHBondContact O-CD 3.44Š| ||
| 370 | S | 27.1 | Very low | 27 | Very low | 106 Ų | 106 | 156.6 Ų | 156.6 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -86.8 | 149.3 | 164.2 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | R368 | R368-S370 PolarHBondContact O-N 3.09Å; R368-S370 VanDerWaalsContact O-N 3.07Å | ||
| 371 | E | 26 | Very low | 27 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -55 | 161.2 | -176 | -52.1 | 170.8 | 146 | 0 | 0 | 114.6 | ||||
| 372 | R | 27.3 | Very low | 27.1 | Very low | 211 Ų | 211 | 152.1 Ų | 152.1 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 87.9 | 140.7 | 172.4 | -57.6 | 176.1 | -155.3 | -179.8 | 5.8 | 115.3 | ||||
| 373 | D | 29.5 | Very low | 27.1 | Very low | 140 Ų | 140 | 157.5 Ų | 157.5 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | cis | -146.3 | 177.3 | 0.6 | -117.3 | -37.7 | 0 | 0 | 0 | 112.2 | ||||
| 374 | N | 26.3 | Very low | 27.4 | Very low | 135 Ų | 135 | 155.4 Ų | 155.4 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -73.7 | 178.4 | 177.8 | -70.5 | -83.3 | 0 | 0 | 0 | 113.5 | ||||
| 375 | F | 25.8 | Very low | 27.5 | Very low | 193 Ų | 193 | 155.5 Ų | 155.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 75.1 | 110 | -179.6 | -58.1 | -94.7 | 0 | 0 | 0 | 114.1 | ||||
| 376 | F | 30.9 | Very low | 27.9 | Very low | 207 Ų | 207 | 157.2 Ų | 157.2 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | -146.9 | 168.7 | 67.7 | -119.2 | -97.9 | 0 | 0 | 0 | 114.2 | |||||
| 377 | A | 27.7 | Very low | 28 | Very low | 79 Ų | 79 | 155.2 Ų | 155.2 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -124.6 | 173.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 378 | D | 26.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 152 Ų | 152 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 58.9 | 90.8 | 164.5 | -71.4 | -37.8 | 0 | 0 | 0 | 119.3 | ||||
| 379 | V | 29.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -128.8 | 120.4 | 142.5 | -177 | 0 | 0 | 0 | 0 | 109 | ||||
| 380 | K | 27.8 | Very low | 28.7 | Very low | 169 Ų | 169 | 149.3 Ų | 149.3 | 74% | 0.735 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 141.8 | 178.1 | -66.1 | 172.2 | -177.2 | 169 | 0 | 110.6 | I382 | K380-I382 PolarHBondContact O-N 3.12Š|
| 381 | P | 29 | Very low | 29.1 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 121.2 | 169.3 | 29.1 | -33 | 0 | 0 | 0 | 110 | ||
| 382 | I | 28.4 | Very low | 29.3 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 124.8 | 175 | -65.4 | 176.2 | 0 | 0 | 0 | 109 | K380 A384 | K380-I382 PolarHBondContact O-N 3.12Å; I382-A384 PolarHBondContact O-N 3.3Å |
| 383 | R | 26.8 | Very low | 29.4 | Very low | 219 Ų | 219 | 143.3 Ų | 143.3 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 122.7 | 168.1 | -91.2 | -178 | 166.3 | 158.3 | -6.3 | 110.1 | ||
| 384 | A | 33.1 | Very low | 29.4 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 111.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | I382 | I382-A384 PolarHBondContact O-N 3.3Š| ||
| 385 | N | 27.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -89.3 | 128.8 | 167.7 | -74 | -9.9 | 0 | 0 | 0 | 108.6 | ||||
| 386 | I | 32.6 | Very low | 29.6 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | trans | -132.2 | 128 | 162.6 | -58.1 | -179 | 0 | 0 | 0 | 107.2 | ||||
| 387 | P | 28 | Very low | 29.7 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -96.7 | 144.5 | -171.2 | 36.8 | -35 | 0 | 0 | 0 | 114.4 | ||||
| 388 | T | 28.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 31.8 | 119.2 | 143.7 | 59.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 389 | T | 32.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -163.2 | 128.2 | 117 | 24.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 390 | D | 31.7 | Very low | 29.8 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -78 | 174.3 | 159.8 | -106 | -49.4 | 0 | 0 | 0 | 109.8 | ||||
| 391 | P | 36.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -149.9 | -172.1 | 34.3 | 44.8 | -24.4 | 0 | 0 | 0 | 118.6 | ||||
| 392 | A | 30.1 | Very low | 29.5 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | trans | 76.2 | 147 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 393 | E | 29.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | -158.8 | 142.1 | -9.1 | -120 | 165.7 | -160.1 | 0 | 0 | 109.6 | ||||
| 394 | D | 28.3 | Very low | 29.6 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | 44.9 | 166.1 | 156.9 | -62 | -9.4 | 0 | 0 | 0 | 121.5 | ||||
| 395 | W | 31.1 | Very low | 29.3 | Very low | 240 Ų | 240 | 137.3 Ų | 137.3 | 91% | 0.909 | 74% | 0.736 | S | S | * | * | cis | -137.3 | 154.5 | 6.2 | -22.5 | -97.3 | 0 | 0 | 0 | 111.3 | ||||
| 396 | A | 25.8 | Very low | 29.4 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | trans | -143.3 | 123.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 397 | T | 32.2 | Very low | 29.3 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | trans | -165.3 | 157.6 | 159.1 | -3.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 398 | H | 26.3 | Very low | 29.3 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -96.8 | -161.4 | 173.2 | -50 | -85.6 | 0 | 0 | 0 | 109.9 | ||||
| 399 | P | 33.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | cis | -143.7 | -175.6 | -6.4 | 30.9 | -5.3 | 0 | 0 | 0 | 117.8 | ||||
| 400 | F | 25.3 | Very low | 29.1 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | 84.7 | 112.6 | 145 | -84.5 | -54.3 | 0 | 0 | 0 | 125.5 | ||||
| 401 | L | 25.3 | Very low | 28.9 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | 83.3 | 155.6 | 129.8 | -96.4 | 167.8 | 0 | 0 | 0 | 125.4 | K670 | L401-K670 PolarHBondContact O-NZ 3.08Š| |||
| 402 | L | 26.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 60% | 0.602 | 72% | 0.718 | S | S | * | * | trans | 73.6 | 93.8 | 160.3 | -72.5 | 164.9 | 0 | 0 | 0 | 121.8 | K670 | L402-K670 WeakPolarHBondContact O-CE 3.35Å; L402-K670 PolarHBondContact O-NZ 3.1Å | ||
| 403 | D | 27.4 | Very low | 28.3 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 56% | 0.556 | 73% | 0.725 | S | S | * | * | trans | 64.9 | 126.6 | 134.6 | -62.9 | 9.5 | 0 | 0 | 0 | 122.8 | ||||
| 404 | E | 29.5 | Very low | 28.3 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 51% | 0.505 | 72% | 0.718 | S | S | . | * | 68.5 | 131.7 | 65.2 | -104 | -142.3 | 110.6 | 0 | 0 | 112.9 | K671 | E404-K671 VanDerWaalsContact C-NZ 3.34Å; E404-K671 WeakPolarHBondContact O-CD 3.37Å; E404-K671 WeakPolarHBondContact O-CE 3.39Å; E404-K671 PolarHBondContact O-NZ 2.79Å | |||
| 405 | R | 26.6 | Very low | 28.2 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | cis | -154.7 | -175.2 | 38.1 | -63.9 | -152.7 | 152.3 | 130.5 | 15.6 | 110.4 | ||||
| 406 | H | 30.4 | Very low | 28.1 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | trans | 94.7 | 129.6 | 178.7 | -49.3 | 121 | 0 | 0 | 0 | 113.1 | ||||
| 407 | Q | 29.2 | Very low | 28.1 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | cis | -150.7 | 157.7 | -2.4 | -126 | 152.2 | -30.9 | 0 | 0 | 112.1 | ||||
| 408 | H | 29.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | -79.2 | 168.5 | 179.1 | -88.5 | -79 | 0 | 0 | 0 | 112.1 | ||||
| 409 | P | 31.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 69% | 0.694 | S | S | * | * | cis | -132.4 | 167.5 | 27.1 | 41 | -24.2 | 0 | 0 | 0 | 118.2 | ||||
| 410 | L | 25.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 80% | 0.801 | 70% | 0.696 | S | S | * | * | trans | -111.7 | 130.5 | 168.3 | -71.2 | 168.3 | 0 | 0 | 0 | 109.2 | ||||
| 411 | F | 28.3 | Very low | 27.9 | Very low | 110 Ų | 110 | 142 Ų | 142 | 48% | 0.482 | 69% | 0.694 | S | S | . | * | trans | -79.5 | 132.1 | 157 | -63 | -79.3 | 0 | 0 | 0 | 107.6 | E185 | E185-F411 HydrophobicContact CB-CD1 4.18Å; E185-F411 HydrophobicContact CB-CE1 3.3Å; E185-F411 HydrophobicContact CB-CE2 4.41Å; E185-F411 HydrophobicContact CB-CZ 3.45Å; E185-F411 VanDerWaalsContact CB-CZ 3.45Å; E185-F411 HydrophobicContact CG-CE1 4.41Å; E185-F411 VanDerWaalsContact O-CZ 3.27Å; E185-F411 WeakPolarHBondContact O-CZ 3.3Å | ||
| 412 | R | 26.7 | Very low | 27.9 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | cis | 87.2 | 81.5 | 29.6 | -165.3 | -174.3 | -117.3 | -163.5 | -1.6 | 114.6 | ||||
| 413 | C | 25.5 | Very low | 28 | Very low | 118 Ų | 118 | 143 Ų | 143 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | 66.8 | 167.8 | 142.9 | -72 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 414 | P | 31.1 | Very low | 27.8 | Very low | 101 Ų | 101 | 143.9 Ų | 143.9 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | cis | -115.6 | 166.4 | 4.4 | 41 | -29.9 | 0 | 0 | 0 | 115.9 | ||||
| 415 | E | 24.8 | Very low | 27.8 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | trans | -65.2 | 147.3 | 158.7 | -60.8 | 166 | 113 | 0 | 0 | 110 | ||||
| 416 | Y | 29.3 | Very low | 27.9 | Very low | 218 Ų | 218 | 145.6 Ų | 145.6 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | -137.7 | 135.1 | 156.8 | -159.1 | -92.6 | 0 | 0 | 0 | 111 | ||||
| 417 | I | 26.5 | Very low | 27.7 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | trans | -102.8 | 134.2 | -172.2 | -58.6 | 167.7 | 0 | 0 | 0 | 109.2 | T419 | I417-T419 HydrophobicContact CG2-CG2 3.85Å; I417-T419 PolarHBondContact O-OG1 3.48Å | ||
| 418 | P | 31.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -114 | 131.6 | 139.8 | -1.8 | 22.4 | 0 | 0 | 0 | 108.9 | ||||
| 419 | T | 27.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 61% | 0.613 | 74% | 0.735 | S | S | * | * | cis | 43.6 | 107.2 | 15.5 | 60.2 | 0 | 0 | 0 | 0 | 115.3 | I417 | I417-T419 HydrophobicContact CG2-CG2 3.85Å; I417-T419 PolarHBondContact O-OG1 3.48Å | ||
| 420 | E | 25.4 | Very low | 27.7 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | cis | -163.1 | 174 | -2.9 | -134 | 177.2 | -160 | 0 | 0 | 108.7 | ||||
| 421 | Y | 27.6 | Very low | 28.1 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | 37.9 | 122.7 | 157.5 | -80.2 | -80.1 | 0 | 0 | 0 | 122.1 | ||||
| 422 | S | 25.5 | Very low | 28.1 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | 51.7 | 131.3 | 132.7 | 71 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 423 | E | 28 | Very low | 28.2 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | -166.8 | 145.1 | 53.4 | -78.1 | -169.8 | 142.3 | 0 | 0 | 110.8 | |||||
| 424 | S | 24 | Very low | 28.4 | Very low | 121 Ų | 121 | 146 Ų | 146 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | -112.6 | 74 | 166.8 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 425 | I | 29.1 | Very low | 28.2 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | trans | -122.3 | 142.6 | 175.3 | -65.9 | -175.8 | 0 | 0 | 0 | 110.9 | ||||
| 426 | F | 29.5 | Very low | 28.3 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -71.2 | 139.1 | -175.7 | -91.1 | -119.8 | 0 | 0 | 0 | 113.8 | ||||
| 427 | Q | 26.6 | Very low | 28.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 26.2 | 106 | 133 | -59.1 | 176.8 | -14.7 | 0 | 0 | 118.5 | ||||
| 428 | S | 30.2 | Very low | 28.6 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | -166.1 | 95.3 | 136.5 | 23.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 429 | H | 30.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | 24.1 | 136.8 | 129.8 | -90.6 | -81.5 | 0 | 0 | 0 | 123.8 | |||||
| 430 | F | 28.2 | Very low | 28.8 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | 91.9 | 151.5 | 143.1 | -72.2 | -45 | 0 | 0 | 0 | 120.4 | ||||
| 431 | P | 35.2 | Very low | 29.2 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | trans | -136.6 | -149.4 | -132.9 | 44.3 | -24.2 | 0 | 0 | 0 | 114.8 | ||||
| 432 | H | 27.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 84 | 147.3 | 178.5 | -60.6 | -77.7 | 0 | 0 | 0 | 114.3 | ||||
| 433 | V | 28.5 | Very low | 29.7 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | cis | -165.8 | 168.5 | 1.3 | 111.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 434 | Y | 29.4 | Very low | 30.6 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | 66 | 161.5 | 169.6 | -67.2 | -40 | 0 | 0 | 0 | 118.7 | ||||
| 435 | S | 28.2 | Very low | 31.2 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -162.9 | 165.3 | -40.1 | -153.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 436 | E | 26.5 | Very low | 31.3 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -37.8 | 146.7 | 178 | -53.9 | 168.7 | 120 | 0 | 0 | 118.8 | ||||
| 437 | Y | 31.8 | Very low | 31.7 | Very low | 238 Ų | 238 | 144.7 Ų | 144.7 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | -152.2 | 157.2 | 122.1 | -130.6 | -92.3 | 0 | 0 | 0 | 111.4 | |||||
| 438 | S | 29.6 | Very low | 32.1 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -129.4 | 149.3 | -171.2 | -166.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 439 | G | 31.7 | Very low | 32.4 | Very low | 73 Ų | 73 | 143.8 Ų | 143.8 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | trans | -155.8 | 152.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 440 | K | 30.9 | Very low | 32.7 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -141.3 | -174 | -167.1 | -68 | 179 | -177.6 | 177.4 | 0 | 111.6 | ||||
| 441 | I | 34.1 | Very low | 33 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | trans | 86.1 | 135.5 | 154.9 | -47.7 | -174 | 0 | 0 | 0 | 115.1 | ||||
| 442 | P | 35 | Very low | 32.9 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -140.4 | -166.8 | -30.9 | 42.9 | -24.6 | 0 | 0 | 0 | 114.4 | ||||
| 443 | Y | 29.6 | Very low | 33.3 | Very low | 225 Ų | 225 | 136.4 Ų | 136.4 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | -96.2 | 159 | 161.3 | -72 | -95.8 | 0 | 0 | 0 | 112.5 | ||||
| 444 | P | 45.4 | Very low | 33.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -90.9 | 151.6 | 161.7 | 36 | -32.4 | 0 | 0 | 0 | 112.9 | ||||
| 445 | P | 37.4 | Very low | 34 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -112 | 156.5 | -174.3 | 41 | -34.7 | 0 | 0 | 0 | 116.9 | ||||
| 446 | S | 32 | Very low | 34.3 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 16.5 | 143.2 | 147.8 | 64.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 447 | T | 36.8 | Very low | 34.8 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | -174.6 | 150.4 | 108.8 | 28.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 448 | S | 36.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 53.5 | 142.8 | 151.7 | 55.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 449 | E | 36.5 | Very low | 35.2 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | cis | -162.4 | 166 | -2.4 | -119.9 | -178.3 | -157.8 | 0 | 0 | 111.3 | ||||
| 450 | N | 35.8 | Very low | 35.4 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 31.3 | 127.5 | 147.7 | -55.8 | -33.7 | 0 | 0 | 0 | 120.6 | ||||
| 451 | G | 34.3 | Very low | 35.8 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | 147.3 | 171.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 452 | V | 34.1 | Very low | 35.7 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 133.4 | 158.7 | 172.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 453 | S | 34.9 | Very low | 35.5 | Very low | 90 Ų | 90 | 124 Ų | 124 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | cis | -170.4 | 126.9 | -7.7 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 454 | T | 35.2 | Very low | 35.6 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 60.7 | 178.9 | 137.7 | -0.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 455 | P | 38.4 | Very low | 34.8 | Very low | 105 Ų | 105 | 118 Ų | 118 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | -137.2 | -175.6 | -127 | 43.2 | -21.8 | 0 | 0 | 0 | 116.9 | |||||
| 456 | Q | 33.4 | Very low | 34.4 | Very low | 183 Ų | 183 | 119.9 Ų | 119.9 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | 164.7 | 160.3 | 122.3 | -85.5 | -140.5 | -64.5 | 0 | 0 | 112.3 | |||||
| 457 | P | 37 | Very low | 34.2 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -104.5 | 176.8 | -172.6 | 41.2 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 458 | L | 33.2 | Very low | 34.1 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -179 | 159.9 | 132.1 | -101 | 165 | 0 | 0 | 0 | 113.7 | ||||
| 459 | S | 36.4 | Very low | 33.9 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 59.7 | 126.2 | 158.9 | 44.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 460 | A | 36.4 | Very low | 34 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | trans | -94.8 | -164.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 461 | P | 39.8 | Very low | 33.7 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -136.5 | -169.9 | -9.5 | 41.1 | -22.6 | 0 | 0 | 0 | 115 | ||||
| 462 | A | 31.2 | Very low | 33.6 | Very low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | 88.9 | 139.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 463 | A | 31.2 | Very low | 33.5 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 72.8 | 117.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 464 | S | 31.1 | Very low | 33.3 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 72.4 | 107.9 | 134.5 | 58.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 465 | T | 28.9 | Very low | 33.4 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | 87 | 107.6 | 111.5 | -57 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 466 | I | 30 | Very low | 33.2 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 69.9 | 134.8 | 149.9 | -62.4 | 168.5 | 0 | 0 | 0 | 117.9 | Y468 | I466-Y468 HydrophobicContact CG2-CE2 4.3Š| ||
| 467 | G | 28.2 | Very low | 33 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | -170.8 | -4.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 468 | Y | 33.2 | Very low | 32.9 | Very low | 226 Ų | 226 | 128 Ų | 128 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | 64 | 177.4 | 174.5 | -67 | -85.8 | 0 | 0 | 0 | 118.3 | I466 | I466-Y468 HydrophobicContact CG2-CE2 4.3Š| ||
| 469 | S | 31.8 | Very low | 32.8 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -147.1 | -156.5 | -162.6 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 470 | P | 38.8 | Very low | 32.8 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | -125 | 170.6 | -75.3 | 36.2 | -20.1 | 0 | 0 | 0 | 114.5 | |||||
| 471 | F | 31.2 | Very low | 32.5 | Very low | 195 Ų | 195 | 125.1 Ų | 125.1 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -140.5 | 131.1 | 161.4 | -82.2 | -95.9 | 0 | 0 | 0 | 108.1 | ||||
| 472 | I | 31.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | 98 | 153.1 | 47.4 | -74.6 | 171.6 | 0 | 0 | 0 | 112.1 | ||||
| 473 | V | 32.2 | Very low | 32 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 95.6 | 133.9 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 474 | S | 31 | Very low | 31.8 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | -178.1 | 172.2 | -32.3 | -96.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 475 | S | 35.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | 74.5 | 151.2 | 160.6 | 78.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 476 | N | 34.3 | Very low | 31.7 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | cis | -157.3 | 164.1 | -11.7 | -111.7 | -2.4 | 0 | 0 | 0 | 112.6 | ||||
| 477 | F | 29.3 | Very low | 31.8 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 175.6 | 169.6 | -89.9 | -93 | 0 | 0 | 0 | 111.8 | ||||
| 478 | P | 35.9 | Very low | 32 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -149.7 | -178.5 | 30.4 | 45.3 | -23.6 | 0 | 0 | 0 | 121 | ||||
| 479 | S | 30.8 | Very low | 32.1 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -26.5 | 153 | 167.7 | -44 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 480 | G | 36.2 | Very low | 32.2 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 157.4 | 134.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 481 | T | 30.7 | Very low | 32.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | cis | 151.4 | 122.7 | -28.7 | -77.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 482 | L | 30.4 | Very low | 32.1 | Very low | 168 Ų | 168 | 117.1 Ų | 117.1 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | trans | 67.9 | 156.4 | 176.8 | -61.1 | 164.2 | 0 | 0 | 0 | 116.1 | ||||
| 483 | A | 29.6 | Very low | 32.2 | Very low | 83 Ų | 83 | 119 Ų | 119 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | cis | -163.9 | 157.9 | -22.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 484 | A | 26.7 | Very low | 32.2 | Very low | 94 Ų | 94 | 116 Ų | 116 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 40.9 | 138.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 485 | A | 29 | Very low | 32.3 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 70.8 | 157.7 | 141 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 486 | S | 29.5 | Very low | 32.1 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -174.1 | 153.1 | -25.3 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 487 | S | 31.9 | Very low | 32 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 57.8 | 175 | 162.4 | 66.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 488 | V | 32.8 | Very low | 32.2 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | cis | -139.1 | 169.2 | 7.9 | -96.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 489 | S | 34.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | 175.8 | 138.9 | 73.8 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 490 | S | 34.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 54.9 | 154.9 | 142.6 | 64.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 491 | I | 36 | Very low | 32.2 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | cis | -139.1 | 164.8 | 29.2 | -67.6 | 170.4 | 0 | 0 | 0 | 111.1 | ||||
| 492 | G | 31.7 | Very low | 32.6 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | -64.2 | -170 | -174.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 493 | L | 34 | Very low | 32.9 | Very low | 179 Ų | 179 | 115.5 Ų | 115.5 | 94% | 0.937 | 74% | 0.737 | S | S | * | * | cis | -139.1 | -174 | 39.4 | -69.9 | 165 | 0 | 0 | 0 | 114.3 | ||||
| 494 | G | 30.9 | Very low | 33.2 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -69.8 | -174.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 495 | V | 33.8 | Very low | 33.8 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | cis | -151.9 | 152 | 44.3 | 169.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 496 | E | 30.5 | Very low | 34 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -7.5 | 160.9 | 149.4 | -44 | -66.2 | 105.2 | 0 | 0 | 119.7 | ||||
| 497 | A | 33.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | cis | -173.2 | -161.6 | -15.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 498 | E | 31.5 | Very low | 34.6 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 64% | 0.64 | 73% | 0.731 | S | S | * | * | cis | -155 | 103.4 | 1.8 | -173.5 | -118.6 | 120 | 0 | 0 | 113.1 | K500 | E498-K500 IonicContact OE1-NZ 2.74Å; E498-K500 PolarHBondContact OE1-NZ 2.74Å | ||
| 499 | S | 31.6 | Very low | 34.8 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | trans | 65 | 177.7 | 146 | 100.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 500 | K | 34.9 | Very low | 34.5 | Very low | 173 Ų | 173 | 123 Ų | 123 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | 69.5 | 144.8 | 168.7 | -73.1 | 145.7 | -164.9 | 146 | 0 | 117.1 | E498 | E498-K500 IonicContact OE1-NZ 2.74Å; E498-K500 PolarHBondContact OE1-NZ 2.74Å | ||
| 501 | A | 37.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 123 Ų | 123 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | cis | 152.1 | 137.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 502 | D | 38.7 | Very low | 34.5 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | -138.1 | -141.8 | -6.3 | -72.1 | -44.2 | 0 | 0 | 0 | 106.7 | ||||
| 503 | N | 38.2 | Very low | 34.7 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | cis | -161.1 | 159.9 | 2.8 | -142.8 | -26.2 | 0 | 0 | 0 | 113.6 | ||||
| 504 | N | 35.9 | Very low | 34.7 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | trans | 23.1 | 142 | 148.6 | -84.9 | 18.6 | 0 | 0 | 0 | 123.6 | ||||
| 505 | E | 37.7 | Very low | 34.9 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 66% | 0.664 | 73% | 0.729 | S | S | * | * | cis | -169.3 | 164.2 | -12.6 | -140.1 | -172.8 | 130 | 0 | 0 | 112.3 | ||||
| 506 | S | 34.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | trans | 68.5 | 146.4 | 147 | 78.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 507 | L | 36 | Very low | 34.9 | Very low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | cis | -153 | 160.2 | -15.5 | -116.2 | 170.5 | 0 | 0 | 0 | 110 | ||||
| 508 | T | 36.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -112.3 | -156.8 | 175.9 | 60.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 509 | P | 37.2 | Very low | 35 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | cis | -135.5 | -175.9 | -16.1 | 35 | -13.9 | 0 | 0 | 0 | 115 | ||||
| 510 | S | 30.1 | Very low | 35.2 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 30.1 | 128.6 | 145.5 | -167.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 511 | S | 36.2 | Very low | 35.5 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | 167.4 | 151.6 | 108.5 | -68.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 512 | T | 33.8 | Very low | 35.5 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -86.1 | 175.6 | -179.5 | 35.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 513 | P | 35.1 | Very low | 35.8 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | cis | -139.7 | -161.9 | -31.5 | 36.1 | -15 | 0 | 0 | 0 | 113.9 | ||||
| 514 | T | 35.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 73.7 | 113.6 | 149.8 | 41.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 515 | H | 34.1 | Very low | 36 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 85 | 135 | 131.9 | -119.5 | -112.4 | 0 | 0 | 0 | 123.8 | ||||
| 516 | S | 32.4 | Very low | 36.1 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | 80.1 | 94.8 | 147 | -142.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 517 | R | 31.9 | Very low | 36.2 | Very low | 217 Ų | 217 | 146.9 Ų | 146.9 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | 47.2 | 116.6 | 125.4 | -67.6 | 177.3 | 169.5 | -178.5 | -1.4 | 121 | |||||
| 518 | K | 32.1 | Very low | 36.5 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 64.5 | 117.5 | 139.9 | -56 | 174.1 | 179.7 | -177.4 | 0 | 118.6 | ||||
| 519 | N | 36.2 | Very low | 36.6 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | -164.1 | -173.2 | 93 | -140.5 | -23.2 | 0 | 0 | 0 | 113.1 | |||||
| 520 | R | 34.1 | Very low | 36.5 | Very low | 203 Ų | 203 | 153.6 Ų | 153.6 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | trans | -141.9 | 138.7 | -161.7 | 163.3 | -149.3 | 178.1 | -171.7 | 3.8 | 110.9 | ||||
| 521 | R | 41.8 | Very low | 36.6 | Very low | 206 Ų | 206 | 156.3 Ų | 156.3 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | 163.4 | 131.3 | 133.4 | -94.1 | 166.7 | -179.6 | -168.5 | 0.9 | 116.1 | ||||
| 522 | K | 37.8 | Very low | 36.7 | Very low | 194 Ų | 194 | 159 Ų | 159 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | 63.1 | 156.5 | 135.6 | -77.1 | -164.4 | 166 | -171.2 | 0 | 120.2 | ||||
| 523 | S | 44.4 | Very low | 37 | Very low | 83 Ų | 83 | 159.9 Ų | 159.9 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | cis | -167.3 | 160.4 | -13.8 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 524 | N | 39 | Very low | 37 | Very low | 141 Ų | 141 | 165.8 Ų | 165.8 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 147.3 | 156 | 133.5 | -73.4 | -9 | 0 | 0 | 0 | 111.6 | ||||
| 525 | L | 39.2 | Very low | 37.5 | Very low | 121 Ų | 121 | 168.7 Ų | 168.7 | 63% | 0.634 | 77% | 0.772 | S | S | * | * | cis | -169.3 | 145.6 | -32.6 | -171.8 | 58.2 | 0 | 0 | 0 | 108.7 | ||||
| 526 | F | 40.5 | Very low | 37.6 | Very low | 160 Ų | 160 | 170.3 Ų | 170.3 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | 69.9 | 144.2 | 175.6 | -49.4 | -57.4 | 0 | 0 | 0 | 117.4 | ||||
| 527 | Q | 37.2 | Very low | 37.7 | Very low | 165 Ų | 165 | 174.5 Ų | 174.5 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | cis | -163 | 165.7 | -21.2 | -123.5 | 168.4 | 5.5 | 0 | 0 | 111.6 | ||||
| 528 | K | 42.2 | Very low | 38 | Very low | 194 Ų | 194 | 173.9 Ų | 173.9 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 65.5 | 109.3 | -173.7 | -61.5 | -177.7 | 176.5 | -179.4 | 0 | 113.5 | ||||
| 529 | R | 38.1 | Very low | 37.9 | Very low | 228 Ų | 228 | 173.9 Ų | 173.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | cis | 68 | 131.7 | 35.4 | -58.4 | -165 | 160.9 | 165 | -8 | 114.2 | ||||
| 530 | N | 34.3 | Very low | 37.7 | Very low | 106 Ų | 106 | 173.1 Ų | 173.1 | 57% | 0.567 | 78% | 0.778 | S | S | * | * | cis | -159.1 | 142.1 | -0.6 | -117.6 | 33.6 | 0 | 0 | 0 | 109.5 | E533 | N530-E533 PolarHBondContact ND2-OE2 2.83Š| ||
| 531 | E | 32.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 171.3 Ų | 171.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -171.8 | -5.8 | 150.4 | -93.7 | -111.6 | 105.3 | 0 | 0 | 114.2 | E533 | E531-E533 PolarHBondContact O-N 2.7Š|
| 532 | D | 38.8 | Very low | 36.9 | Very low | 170 Ų | 170 | 165 Ų | 165 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 32.7 | -179.5 | -67.2 | -55.2 | 0 | 0 | 0 | 116.7 | ||
| 533 | E | 38.7 | Very low | 36.4 | Very low | 150 Ų | 150 | 164.1 Ų | 164.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 4.7 | -176.8 | -75.6 | -177.2 | 134 | 0 | 0 | 114.9 | N530 E531 | N530-E533 PolarHBondContact ND2-OE2 2.83Å; E531-E533 PolarHBondContact O-N 2.7Å |
| 534 | R | 34.9 | Very low | 35.6 | Very low | 226 Ų | 226 | 163.4 Ų | 163.4 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -91.1 | -6.6 | 179.7 | -83 | -177 | 168.9 | 173.6 | -0.5 | 116.8 | ||
| 535 | E | 47.9 | Very low | 35.2 | Very low | 183 Ų | 183 | 162.8 Ų | 162.8 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -98.8 | -3 | -172.7 | -142.4 | -171 | -163.1 | 0 | 0 | 115.5 | ||
| 536 | R | 36.3 | Very low | 35.2 | Very low | 219 Ų | 219 | 161 Ų | 161 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -126.8 | -10.4 | -175.8 | -74.4 | -172.1 | 173.9 | 160.9 | 3.1 | 117.9 | ||
| 537 | E | 34.7 | Very low | 35.9 | Very low | 181 Ų | 181 | 159.6 Ų | 159.6 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 7.7 | -177.1 | -106.2 | -178.5 | -176.5 | 0 | 0 | 116.7 | K539 | E537-K539 PolarHBondContact O-N 2.96Š|
| 538 | K | 36.2 | Very low | 37.2 | Very low | 203 Ų | 203 | 154.9 Ų | 154.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 6.6 | 162 | -75.4 | -172.4 | 175.7 | -179.5 | 0 | 113.9 | L540 | K538-L540 PolarHBondContact O-N 3.48Š|
| 539 | K | 31.3 | Very low | 38.8 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -95.1 | 53.2 | 173.6 | -78.9 | -166.6 | 171.6 | -173.6 | 0 | 113.1 | E537 | E537-K539 PolarHBondContact O-N 2.96Š|
| 540 | L | 31.2 | Very low | 40.9 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -173.2 | 62 | 159.8 | -106.7 | 159.8 | 0 | 0 | 0 | 112.1 | K538 | K538-L540 PolarHBondContact O-N 3.48Š|
| 541 | N | 28.8 | Very low | 43.4 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -166 | 135.7 | 157.2 | -98.5 | -31.1 | 0 | 0 | 0 | 108.7 | ||
| 542 | G | 30.8 | Very low | 46.2 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | 88 | 62.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G544 | G542-G544 PolarHBondContact O-N 3.44Å; G542-G544 VanDerWaalsContact O-N 3.15Å | ||
| 543 | I | 27.5 | Very low | 48.7 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 89% | 0.892 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -71.9 | 104.7 | 170.5 | -63.1 | 172.6 | 0 | 0 | 0 | 108.6 | ||
| 544 | G | 28 | Very low | 51.2 | Low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 92.2 | 70.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | G542 | G542-G544 PolarHBondContact O-N 3.44Å; G542-G544 VanDerWaalsContact O-N 3.15Å |
| 545 | S | 29.7 | Very low | 54 | Low | 129 Ų | 129 | 118.6 Ų | 118.6 | 90% | 0.902 | 64% | 0.642 | S | S | * | * | trans | -163.1 | 156.8 | 157.1 | -84.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 546 | G | 38.6 | Very low | 56.1 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | trans | 108.1 | 13.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 547 | R | 56.6 | Low | 58.7 | Low | 132 Ų | 132 | 103 Ų | 103 | 50% | 0.498 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -87.1 | 136.4 | 156.9 | -70.3 | -170.6 | -176.8 | -144.3 | -5.2 | 108.9 | I549 Y591 M592 | R547-I549 PolarHBondContact O-N 3.44Å; R547-Y591 PolarHBondContact NH1-O 2.88Å; R547-M592 PolarHBondContact NH2-O 3.18Å |
| 548 | A | 63.3 | Low | 61.3 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 132.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P550 | A548-P550 WeakPolarHBondContact O-CD 3.32Š|
| 549 | I | 75.7 | Confident | 63.5 | Low | 149 Ų | 149 | 88.9 Ų | 88.9 | 76% | 0.764 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 117.1 | -178.3 | -58.8 | 175.7 | 0 | 0 | 0 | 107.2 | R547 L551 | R547-I549 PolarHBondContact O-N 3.44Å; I549-L551 PolarHBondContact O-N 3.31Å |
| 550 | P | 82.8 | Confident | 65.2 | Low | 20 Ų | 20 | 82.2 Ų | 82.2 | 13% | 0.13 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 134.9 | -179 | 28.4 | -33.7 | 0 | 0 | 0 | 110.7 | A548 K552 Q553 T575 L576 | A548-P550 WeakPolarHBondContact O-CD 3.32Å; P550-K552 PolarHBondContact O-N 2.99Å; P550-Q553 HydrophobicContact CB-CB 4.39Å; P550-Q553 HydrophobicContact CG-CB 3.91Å; P550-Q553 HydrophobicContact CG-CG 4.14Å; P550-T575 HydrophobicContact CB-CG2 4.31Å; P550-T575 HydrophobicContact CG-CG2 4.29Å; P550-L576 CarbonylContact C-O 3.31Å; P550-L576 VanDerWaalsContact C-O 3.31Å; P550-L576 WeakPolarHBondContact CA-O 3.35Å; P550-L576 VanDerWaalsContact CB-O 3.27Å; P550-L576 WeakPolarHBondContact CB-O 3.46Å |
| 551 | L | 86.1 | Confident | 66.3 | Low | 82 Ų | 82 | 80.6 Ų | 80.6 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -56.2 | -37 | 175.1 | -67.8 | -176.7 | 0 | 0 | 0 | 112.1 | I549 L576 D578 A724 | I549-L551 PolarHBondContact O-N 3.31Å; L551-L576 HydrophobicContact CB-CD2 4.22Å; L551-L576 HydrophobicContact CB-CG 4.32Å; L551-L576 PolarHBondContact N-O 3.01Å; L551-D578 HydrophobicContact CD1-CB 4.34Å; L551-D578 HydrophobicContact CD2-CB 4.27Å; L551-D578 HydrophobicContact CG-CB 4.25Å; L551-A724 HydrophobicContact CD1-CB 4.23Å |
| 552 | K | 91.2 | Very high | 67.5 | Low | 30 Ų | 30 | 79.7 Ų | 79.7 | 13% | 0.13 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 140.3 | 170.6 | -165.8 | 170.9 | 179.8 | 66.6 | 0 | 109.7 | P550 L576 E716 W717 H720 | P550-K552 PolarHBondContact O-N 2.99Å; K552-L576 PolarHBondContact O-N 2.97Å; K552-E716 IonicContact NZ-OE2 2.6Å; K552-E716 PolarHBondContact NZ-OE2 3.34Å; K552-W717 HydrophobicContact CB-CE3 4.35Å; K552-W717 HydrophobicContact CB-CH2 4.33Å; K552-W717 HydrophobicContact CB-CZ3 4Å; K552-W717 HydrophobicContact CD-CD2 3.68Å; K552-W717 HydrophobicContact CD-CE3 3.74Å; K552-W717 HydrophobicContact CD-CG 4.1Å; K552-W717 HydrophobicContact CD-CH2 4.48Å; K552-W717 HydrophobicContact CD-CZ2 4.44Å; K552-W717 HydrophobicContact CD-CZ3 4.14Å; K552-W717 HydrophobicContact CG-CD2 4.25Å; K552-W717 HydrophobicContact CG-CE3 4.07Å; K552-W717 HydrophobicContact CG-CH2 3.99Å; K552-W717 HydrophobicContact CG-CZ2 4.16Å; K552-W717 HydrophobicContact CG-CZ3 3.94Å; K552-H720 HydrophobicContact CB-CB 4.2Å; K552-H720 HydrophobicContact CD-CB 4.07Å |
| 553 | Q | 92.3 | Very high | 68.2 | Low | 103 Ų | 103 | 82.6 Ų | 82.6 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 144.7 | 177.2 | 59.4 | -178 | -6.7 | 0 | 0 | 110.4 | P550 Y573 V574 T575 | P550-Q553 HydrophobicContact CB-CB 4.39Å; P550-Q553 HydrophobicContact CG-CB 3.91Å; P550-Q553 HydrophobicContact CG-CG 4.14Å; Q553-Y573 PolarHBondContact OE1-OH 3.29Å; Q553-V574 VanDerWaalsContact CA-O 3.31Å; Q553-V574 WeakPolarHBondContact CA-O 3.33Å; Q553-T575 HydrophobicContact CB-CG2 3.79Å |
| 554 | G | 91.6 | Very high | 69.1 | Low | 15 Ų | 15 | 81.9 Ų | 81.9 | 16% | 0.155 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -158.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y573 V574 | G554-Y573 WeakPolarHBondContact O-CD2 3.37Å; G554-V574 PolarHBondContact N-O 3.27Å; G554-V574 PolarHBondContact O-N 3.32Å |
| 555 | F | 92.6 | Very high | 69.8 | Low | 76 Ų | 76 | 82.3 Ų | 82.3 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.8 | -178.6 | -70.7 | -81.5 | 0 | 0 | 0 | 112 | K571 K572 Y573 I588 | F555-K571 HydrophobicContact CB-CD 4.4Å; F555-K571 HydrophobicContact CB-CG 4.18Å; F555-K571 HydrophobicContact CD1-CD 4.3Å; F555-K571 HydrophobicContact CD1-CG 4.06Å; F555-K571 HydrophobicContact CG-CG 4.47Å; F555-K572 VanDerWaalsContact CA-O 3.3Å; F555-K572 WeakPolarHBondContact CA-O 3.28Å; F555-Y573 HydrophobicContact CD1-CD2 4.06Å; F555-Y573 HydrophobicContact CD2-CD2 4.4Å; F555-Y573 AromaticContact CE1-CD2 3.73Å; F555-Y573 HydrophobicContact CE1-CD2 3.73Å; F555-Y573 HydrophobicContact CE1-CG 4.36Å; F555-Y573 HydrophobicContact CE2-CD2 4.08Å; F555-Y573 HydrophobicContact CE2-CE2 4.44Å; F555-Y573 HydrophobicContact CG-CD2 4.39Å; F555-Y573 AromaticContact CZ-CD2 3.74Å; F555-Y573 HydrophobicContact CZ-CD2 3.74Å; F555-Y573 HydrophobicContact CZ-CE2 4.41Å; F555-I588 HydrophobicContact CZ-CB 4.28Å |
| 556 | L | 92.4 | Very high | 70.7 | Confident | 0 Ų | 0 | 86.7 Ų | 86.7 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.5 | 173.3 | -68.5 | 172 | 0 | 0 | 0 | 110.9 | K558 K572 V574 F695 F706 A708 W717 | L556-K558 PolarHBondContact O-N 3.14Å; L556-K572 PolarHBondContact N-O 3.36Å; L556-K572 VanDerWaalsContact N-O 3.07Å; L556-K572 PolarHBondContact O-N 3.37Å; L556-V574 HydrophobicContact CB-CG2 3.99Å; L556-V574 HydrophobicContact CD1-CB 4.32Å; L556-V574 HydrophobicContact CD1-CG1 4.26Å; L556-V574 HydrophobicContact CD1-CG2 4.14Å; L556-V574 HydrophobicContact CG-CG2 4.32Å; L556-F695 HydrophobicContact CD1-CE1 4.15Å; L556-F695 HydrophobicContact CD1-CZ 3.69Å; L556-F695 HydrophobicContact CD2-CE1 4Å; L556-F695 HydrophobicContact CD2-CZ 4.38Å; L556-F706 HydrophobicContact CB-CD1 3.81Å; L556-F706 HydrophobicContact CD1-CB 4.25Å; L556-F706 HydrophobicContact CD1-CD1 4.04Å; L556-F706 HydrophobicContact CD1-CG 4.25Å; L556-A708 HydrophobicContact CD2-CB 3.95Å; L556-W717 HydrophobicContact CD1-CD2 3.97Å; L556-W717 HydrophobicContact CD1-CE3 4.28Å; L556-W717 HydrophobicContact CD1-CG 4.3Å; L556-W717 HydrophobicContact CD1-CZ2 4.39Å; L556-W717 HydrophobicContact CD2-CD2 4.46Å; L556-W717 HydrophobicContact CD2-CG 4.18Å; L556-W717 HydrophobicContact CG-CD2 4.41Å; L556-W717 HydrophobicContact CG-CZ2 4.35Å |
| 557 | Y | 90.4 | Very high | 71.3 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 29% | 0.29 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 103.2 | 171.8 | -64.6 | -82.2 | 0 | 0 | 0 | 109.2 | K571 E707 T709 | Y557-K571 HydrophobicContact CD1-CB 3.83Å; Y557-K571 HydrophobicContact CD1-CG 4.19Å; Y557-K571 HydrophobicContact CE1-CB 3.65Å; Y557-K571 HydrophobicContact CE1-CD 3.83Å; Y557-K571 HydrophobicContact CE1-CG 3.79Å; Y557-K571 PolarHBondContact OH-NZ 2.96Å; Y557-E707 PolarHBondContact N-O 3.5Å; Y557-E707 PolarHBondContact O-N 3.01Å; Y557-T709 HydrophobicContact CE2-CG2 4.22Å |
| 558 | K | 89.9 | Confident | 71.1 | Confident | 22 Ų | 22 | 88.6 Ų | 88.6 | 10% | 0.096 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.1 | 177.3 | -162.3 | -161.4 | 177.7 | -57.5 | 0 | 110.1 | L556 T570 K572 Y584 F706 | L556-K558 PolarHBondContact O-N 3.14Å; K558-T570 PolarHBondContact N-O 3.37Å; K558-T570 PolarHBondContact O-N 3.16Å; K558-T570 PolarHBondContact O-OG1 3Å; K558-K572 HydrophobicContact CB-CG 3.92Å; K558-Y584 HydrophobicContact CD-CD2 4.3Å; K558-Y584 HydrophobicContact CD-CE2 3.84Å; K558-F706 HydrophobicContact CB-CD1 3.96Å; K558-F706 HydrophobicContact CB-CE1 3.87Å; K558-F706 HydrophobicContact CD-CE1 4.21Å; K558-F706 HydrophobicContact CD-CZ 4.37Å; K558-F706 HydrophobicContact CG-CD1 3.94Å; K558-F706 HydrophobicContact CG-CE1 3.69Å; K558-F706 HydrophobicContact CG-CZ 4.17Å |
| 559 | R | 81.9 | Confident | 71.4 | Confident | 66 Ų | 66 | 89.6 Ų | 89.6 | 25% | 0.249 | 45% | 0.452 | C | S | . | . | trans | -72.4 | 153 | 168.4 | -64.9 | 179.3 | -175.8 | -177.4 | 2.8 | 110.4 | K569 E694 H705 E707 | R559-K569 HydrophobicContact CG-CG 4.2Å; R559-E694 VanDerWaalsContact CD-OE1 3.31Å; R559-E694 WeakPolarHBondContact CD-OE1 3.18Å; R559-E694 IonicContact CZ-OE1 3.98Å; R559-E694 VanDerWaalsContact CZ-OE1 3.22Å; R559-E694 IonicContact CZ-OE2 2.99Å; R559-E694 IonicContact NE-OE1 2.83Å; R559-E694 PolarHBondContact NE-OE1 2.9Å; R559-E694 IonicContact NH1-OE1 2.67Å; R559-E694 PolarHBondContact NH1-OE1 3.1Å; R559-E694 IonicContact NH1-OE2 3.25Å; R559-E694 PolarHBondContact NH1-OE2 2.97Å; R559-E694 IonicContact NH2-OE2 2.96Å; R559-E694 PolarHBondContact NH2-OE2 3.41Å; R559-H705 HydrophobicContact CB-CB 4.01Å; R559-H705 PolarHBondContact N-O 2.79Å; R559-E707 IonicContact CZ-OE2 3.79Å; R559-E707 VanDerWaalsContact CZ-OE2 3.27Å; R559-E707 IonicContact NE-OE2 3.54Å; R559-E707 PolarHBondContact NE-OE2 3.06Å; R559-E707 IonicContact NH2-OE2 3.54Å; R559-E707 PolarHBondContact NH2-OE2 3.03Å | ||
| 560 | T | 67.8 | Low | 71.8 | Confident | 48 Ų | 48 | 84.8 Ų | 84.8 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | trans | -137.5 | 136.2 | -172.5 | 29.5 | 0 | 0 | 0 | 0 | 110.9 | K562 W568 | T560-K562 PolarHBondContact O-N 2.89Å; T560-W568 VanDerWaalsContact C-CH2 3.49Å; T560-W568 HydrophobicContact CG2-CZ3 4.43Å; T560-W568 WeakPolarHBondContact O-CH2 3.37Å; T560-W568 WeakPolarHBondContact O-CZ2 3.34Å; T560-W568 WeakPolarHBondContact OG1-CZ3 3.3Å; T560-W568 PolarHBondContact OG1-O 3.03Å | ||
| 561 | C | 53.7 | Low | 72.1 | Confident | 118 Ų | 118 | 88.3 Ų | 88.3 | 80% | 0.797 | 44% | 0.443 | S | S | * | . | trans | -94.1 | 106.1 | -168.5 | -49 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 562 | K | 55.5 | Low | 72.4 | Confident | 145 Ų | 145 | 86.3 Ų | 86.3 | 63% | 0.63 | 43% | 0.431 | S | S | * | . | trans | -143.5 | 130.9 | 156.5 | -62.3 | 164.1 | -171.6 | 171.3 | 0 | 105.8 | T560 L564 W568 | T560-K562 PolarHBondContact O-N 2.89Å; K562-L564 PolarHBondContact O-N 3.09Å; K562-W568 HydrophobicContact CB-CH2 3.68Å; K562-W568 HydrophobicContact CB-CZ2 3.46Å; K562-W568 VanDerWaalsContact CB-CZ2 3.46Å; K562-W568 HydrophobicContact CD-CH2 3.5Å; K562-W568 VanDerWaalsContact CD-CH2 3.5Å; K562-W568 HydrophobicContact CD-CZ2 3.89Å; K562-W568 HydrophobicContact CD-CZ3 4.03Å; K562-W568 HydrophobicContact CG-CH2 3.45Å; K562-W568 VanDerWaalsContact CG-CH2 3.45Å; K562-W568 HydrophobicContact CG-CZ2 3.81Å; K562-W568 HydrophobicContact CG-CZ3 4.39Å; K562-W568 VanDerWaalsContact N-CZ2 3.29Å | ||
| 563 | P | 45.1 | Very low | 72.5 | Confident | 135 Ų | 135 | 85.8 Ų | 85.8 | 88% | 0.877 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 30.5 | -165.2 | 34 | -38.7 | 0 | 0 | 0 | 115 | ||
| 564 | L | 45.3 | Very low | 72.6 | Confident | 159 Ų | 159 | 80.9 Ų | 80.9 | 83% | 0.832 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.8 | 10.3 | -159.7 | -102.8 | 153.8 | 0 | 0 | 0 | 117.2 | K562 | K562-L564 PolarHBondContact O-N 3.09Š|
| 565 | S | 42.5 | Very low | 72.7 | Confident | 77 Ų | 77 | 80.3 Ų | 80.3 | 54% | 0.538 | 40% | 0.399 | S | S | . | . | trans | -157 | 142.8 | 168.9 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | E567 W568 | S565-E567 PolarHBondContact O-N 3.44Å; S565-W568 PolarHBondContact O-NE1 3.4Å; S565-W568 VanDerWaalsContact O-NE1 3.07Å; S565-W568 VanDerWaalsContact OG-CD1 3.24Å; S565-W568 PolarHBondContact OG-NE1 3.5Å; S565-W568 VanDerWaalsContact OG-NE1 3.12Å | ||
| 566 | K | 48.8 | Very low | 72.7 | Confident | 222 Ų | 222 | 76.7 Ų | 76.7 | 97% | 0.965 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -81.5 | -6 | -163.9 | -149.9 | 178.2 | -177.3 | -174.9 | 0 | 115.4 | ||
| 567 | E | 51.4 | Low | 72.5 | Confident | 184 Ų | 184 | 77.7 Ų | 77.7 | 86% | 0.86 | 39% | 0.389 | S | S | * | . | trans | -144.7 | 50.1 | -150 | -160.5 | 177.4 | -124.3 | 0 | 0 | 115.4 | S565 | S565-E567 PolarHBondContact O-N 3.44Š| ||
| 568 | W | 53.5 | Low | 72.2 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 27% | 0.265 | 40% | 0.4 | S | S | . | . | trans | -146 | 74.1 | -176.6 | 58.6 | -58.9 | 0 | 0 | 0 | 113.9 | T560 K562 S565 | T560-W568 VanDerWaalsContact C-CH2 3.49Å; T560-W568 HydrophobicContact CG2-CZ3 4.43Å; T560-W568 WeakPolarHBondContact O-CH2 3.37Å; T560-W568 WeakPolarHBondContact O-CZ2 3.34Å; T560-W568 WeakPolarHBondContact OG1-CZ3 3.3Å; T560-W568 PolarHBondContact OG1-O 3.03Å; K562-W568 HydrophobicContact CB-CH2 3.68Å; K562-W568 HydrophobicContact CB-CZ2 3.46Å; K562-W568 VanDerWaalsContact CB-CZ2 3.46Å; K562-W568 HydrophobicContact CD-CH2 3.5Å; K562-W568 VanDerWaalsContact CD-CH2 3.5Å; K562-W568 HydrophobicContact CD-CZ2 3.89Å; K562-W568 HydrophobicContact CD-CZ3 4.03Å; K562-W568 HydrophobicContact CG-CH2 3.45Å; K562-W568 VanDerWaalsContact CG-CH2 3.45Å; K562-W568 HydrophobicContact CG-CZ2 3.81Å; K562-W568 HydrophobicContact CG-CZ3 4.39Å; K562-W568 VanDerWaalsContact N-CZ2 3.29Å; S565-W568 PolarHBondContact O-NE1 3.4Å; S565-W568 VanDerWaalsContact O-NE1 3.07Å; S565-W568 VanDerWaalsContact OG-CD1 3.24Å; S565-W568 PolarHBondContact OG-NE1 3.5Å; S565-W568 VanDerWaalsContact OG-NE1 3.12Å | ||
| 569 | K | 69 | Low | 71.8 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | trans | -85.4 | 125.6 | 162.9 | -50 | 177.9 | -179.4 | 177.6 | 0 | 108.1 | R559 E707 | R559-K569 HydrophobicContact CG-CG 4.2Å; K569-E707 VanDerWaalsContact CD-OE1 3.31Å; K569-E707 WeakPolarHBondContact CD-OE1 3.45Å; K569-E707 WeakPolarHBondContact CD-OE2 3.02Å; K569-E707 WeakPolarHBondContact CE-OE1 3.2Å; K569-E707 WeakPolarHBondContact CE-OE2 3.39Å; K569-E707 IonicContact NZ-OE1 3.16Å; K569-E707 PolarHBondContact NZ-OE1 2.69Å; K569-E707 IonicContact NZ-OE2 2.7Å; K569-E707 PolarHBondContact NZ-OE2 2.96Å | ||
| 570 | T | 83.8 | Confident | 71.9 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.6 | -178.2 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | K558 K572 | K558-T570 PolarHBondContact N-O 3.37Å; K558-T570 PolarHBondContact O-N 3.16Å; K558-T570 PolarHBondContact O-OG1 3Å; T570-K572 PolarHBondContact O-N 2.97Å; T570-K572 WeakPolarHBondContact OG1-CE 3.21Å |
| 571 | K | 89.2 | Confident | 73 | Confident | 94 Ų | 94 | 80 Ų | 80 | 41% | 0.409 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.6 | 172.8 | -160.7 | 168 | -172.4 | 164 | 0 | 109.9 | F555 Y557 | F555-K571 HydrophobicContact CB-CD 4.4Å; F555-K571 HydrophobicContact CB-CG 4.18Å; F555-K571 HydrophobicContact CD1-CD 4.3Å; F555-K571 HydrophobicContact CD1-CG 4.06Å; F555-K571 HydrophobicContact CG-CG 4.47Å; Y557-K571 HydrophobicContact CD1-CB 3.83Å; Y557-K571 HydrophobicContact CD1-CG 4.19Å; Y557-K571 HydrophobicContact CE1-CB 3.65Å; Y557-K571 HydrophobicContact CE1-CD 3.83Å; Y557-K571 HydrophobicContact CE1-CG 3.79Å; Y557-K571 PolarHBondContact OH-NZ 2.96Å |
| 572 | K | 92.1 | Very high | 74.8 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.3 | 178.6 | -64.8 | -71.7 | 148.2 | -95.1 | 0 | 108.6 | F555 L556 K558 T570 V574 Y584 H585 | F555-K572 VanDerWaalsContact CA-O 3.3Å; F555-K572 WeakPolarHBondContact CA-O 3.28Å; L556-K572 PolarHBondContact N-O 3.36Å; L556-K572 VanDerWaalsContact N-O 3.07Å; L556-K572 PolarHBondContact O-N 3.37Å; K558-K572 HydrophobicContact CB-CG 3.92Å; T570-K572 PolarHBondContact O-N 2.97Å; T570-K572 WeakPolarHBondContact OG1-CE 3.21Å; K572-V574 HydrophobicContact CB-CG2 4.2Å; K572-Y584 HydrophobicContact CD-CD2 4.22Å; K572-Y584 HydrophobicContact CG-CD2 4.27Å; K572-H585 WeakPolarHBondContact CA-O 3.2Å; K572-H585 WeakPolarHBondContact CD-O 3.45Å |
| 573 | Y | 93.7 | Very high | 76.6 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.2 | 166.5 | -170.4 | -103.4 | 0 | 0 | 0 | 107.7 | Q553 G554 F555 T575 Y584 H585 I588 Y591 | Q553-Y573 PolarHBondContact OE1-OH 3.29Å; G554-Y573 WeakPolarHBondContact O-CD2 3.37Å; F555-Y573 HydrophobicContact CD1-CD2 4.06Å; F555-Y573 HydrophobicContact CD2-CD2 4.4Å; F555-Y573 AromaticContact CE1-CD2 3.73Å; F555-Y573 HydrophobicContact CE1-CD2 3.73Å; F555-Y573 HydrophobicContact CE1-CG 4.36Å; F555-Y573 HydrophobicContact CE2-CD2 4.08Å; F555-Y573 HydrophobicContact CE2-CE2 4.44Å; F555-Y573 HydrophobicContact CG-CD2 4.39Å; F555-Y573 AromaticContact CZ-CD2 3.74Å; F555-Y573 HydrophobicContact CZ-CD2 3.74Å; F555-Y573 HydrophobicContact CZ-CE2 4.41Å; Y573-T575 HydrophobicContact CD1-CG2 4.21Å; Y573-T575 HydrophobicContact CE1-CG2 3.63Å; Y573-Y584 CarbonylContact O-C 3.53Å; Y573-Y584 WeakPolarHBondContact O-CA 3.34Å; Y573-H585 PolarHBondContact N-O 3.29Å; Y573-H585 PolarHBondContact O-N 3.22Å; Y573-I588 HydrophobicContact CD1-CG1 4.38Å; Y573-I588 HydrophobicContact CD2-CB 4.03Å; Y573-I588 HydrophobicContact CD2-CD1 4.23Å; Y573-I588 HydrophobicContact CD2-CG1 4.06Å; Y573-I588 HydrophobicContact CE1-CG1 4.27Å; Y573-I588 HydrophobicContact CE2-CB 4.41Å; Y573-I588 HydrophobicContact CE2-CD1 3.76Å; Y573-I588 HydrophobicContact CE2-CG1 3.95Å; Y573-I588 HydrophobicContact CG-CB 4.13Å; Y573-I588 HydrophobicContact CG-CG1 4.27Å; Y573-Y591 HydrophobicContact CD1-CD1 4.01Å; Y573-Y591 HydrophobicContact CD1-CD2 4.36Å; Y573-Y591 AromaticContact CD1-CG 3.77Å; Y573-Y591 HydrophobicContact CD1-CG 3.77Å; Y573-Y591 AromaticContact CE1-CD1 3.47Å; Y573-Y591 HydrophobicContact CE1-CD1 3.47Å; Y573-Y591 VanDerWaalsContact CE1-CD1 3.47Å; Y573-Y591 HydrophobicContact CE1-CD2 4.25Å; Y573-Y591 AromaticContact CE1-CE1 3.9Å; Y573-Y591 HydrophobicContact CE1-CE1 3.9Å; Y573-Y591 AromaticContact CE1-CG 3.68Å; Y573-Y591 HydrophobicContact CE1-CG 3.68Å |
| 574 | V | 93.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.9 | -172 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | Q553 G554 L556 K572 L582 T583 F706 W717 | Q553-V574 VanDerWaalsContact CA-O 3.31Å; Q553-V574 WeakPolarHBondContact CA-O 3.33Å; G554-V574 PolarHBondContact N-O 3.27Å; G554-V574 PolarHBondContact O-N 3.32Å; L556-V574 HydrophobicContact CB-CG2 3.99Å; L556-V574 HydrophobicContact CD1-CB 4.32Å; L556-V574 HydrophobicContact CD1-CG1 4.26Å; L556-V574 HydrophobicContact CD1-CG2 4.14Å; L556-V574 HydrophobicContact CG-CG2 4.32Å; K572-V574 HydrophobicContact CB-CG2 4.2Å; V574-L582 HydrophobicContact CG1-CD1 4Å; V574-L582 HydrophobicContact CG1-CD2 3.64Å; V574-L582 HydrophobicContact CG1-CG 3.71Å; V574-T583 WeakPolarHBondContact CA-O 3.28Å; V574-F706 HydrophobicContact CG2-CE1 4.32Å; V574-W717 HydrophobicContact CB-CH2 4.04Å; V574-W717 HydrophobicContact CG1-CH2 4.02Å; V574-W717 HydrophobicContact CG1-CZ3 4.08Å |
| 575 | T | 93.5 | Very high | 81.1 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.9 | 178 | 49 | 0 | 0 | 0 | 0 | 110.4 | P550 Q553 Y573 T583 Y591 | P550-T575 HydrophobicContact CB-CG2 4.31Å; P550-T575 HydrophobicContact CG-CG2 4.29Å; Q553-T575 HydrophobicContact CB-CG2 3.79Å; Y573-T575 HydrophobicContact CD1-CG2 4.21Å; Y573-T575 HydrophobicContact CE1-CG2 3.63Å; T575-T583 PolarHBondContact N-O 3.43Å; T575-T583 PolarHBondContact O-N 3.49Å; T575-T583 PolarHBondContact O-OG1 3.08Å; T575-T583 PolarHBondContact OG1-OG1 2.81Å; T575-Y591 HydrophobicContact CG2-CD2 4.21Å; T575-Y591 HydrophobicContact CG2-CE2 3.74Å |
| 576 | L | 93 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.6 | 176.5 | 174 | 69.7 | 0 | 0 | 0 | 109.6 | P550 L551 K552 R581 L582 L602 W717 H720 I721 A724 | P550-L576 CarbonylContact C-O 3.31Å; P550-L576 VanDerWaalsContact C-O 3.31Å; P550-L576 WeakPolarHBondContact CA-O 3.35Å; P550-L576 VanDerWaalsContact CB-O 3.27Å; P550-L576 WeakPolarHBondContact CB-O 3.46Å; L551-L576 HydrophobicContact CB-CD2 4.22Å; L551-L576 HydrophobicContact CB-CG 4.32Å; L551-L576 PolarHBondContact N-O 3.01Å; K552-L576 PolarHBondContact O-N 2.97Å; L576-R581 WeakPolarHBondContact CA-O 3.3Å; L576-L582 HydrophobicContact CD1-CB 4.32Å; L576-L582 HydrophobicContact CD1-CD1 4.43Å; L576-L602 HydrophobicContact CD1-CD1 3.37Å; L576-W717 HydrophobicContact CB-CZ3 4.45Å; L576-H720 HydrophobicContact CD2-CB 3.73Å; L576-H720 WeakPolarHBondContact CD2-O 3.29Å; L576-I721 HydrophobicContact CD1-CG1 4.4Å; L576-I721 HydrophobicContact CD2-CG1 4.22Å; L576-A724 HydrophobicContact CD1-CB 3.99Å; L576-A724 HydrophobicContact CD2-CB 4.24Å; L576-A724 HydrophobicContact CG-CB 4.39Å |
| 577 | T | 88 | Confident | 85.1 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 14% | 0.135 | 23% | 0.227 | C | C | . | . | trans | -100.6 | 164.2 | 175 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | D579 A580 R581 | T577-D579 WeakPolarHBondContact CB-OD1 3.41Å; T577-D579 PolarHBondContact OG1-OD1 3.34Å; T577-A580 PolarHBondContact O-N 3.25Å; T577-R581 PolarHBondContact N-O 3.39Å; T577-R581 WeakPolarHBondContact OG1-CB 3.42Å; T577-R581 PolarHBondContact OG1-N 2.82Å; T577-R581 PolarHBondContact OG1-O 3.08Å | ||
| 578 | D | 83.9 | Confident | 86.7 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 51% | 0.508 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -28.4 | 177.6 | 59.9 | -35.2 | 0 | 0 | 0 | 113.7 | L551 A580 | L551-D578 HydrophobicContact CD1-CB 4.34Å; L551-D578 HydrophobicContact CD2-CB 4.27Å; L551-D578 HydrophobicContact CG-CB 4.25Å; D578-A580 PolarHBondContact O-N 3.03Å; D578-A580 VanDerWaalsContact O-N 3.17Å |
| 579 | D | 81.6 | Confident | 88.3 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 9.6 | 170.7 | 80.8 | -31.5 | 0 | 0 | 0 | 114.4 | T577 R581 | T577-D579 WeakPolarHBondContact CB-OD1 3.41Å; T577-D579 PolarHBondContact OG1-OD1 3.34Å; D579-R581 WeakPolarHBondContact OD1-CG 3.44Å; D579-R581 IonicContact OD1-NE 3.12Å; D579-R581 WeakPolarHBondContact OD2-CD 3.37Å; D579-R581 IonicContact OD2-CZ 2.76Å; D579-R581 IonicContact OD2-NE 3.88Å; D579-R581 PolarHBondContact OD2-NE 3.28Å; D579-R581 IonicContact OD2-NH2 2.71Å; D579-R581 PolarHBondContact OD2-NH2 2.89Å |
| 580 | A | 85.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 65.5 | 42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | T577 D578 L602 A724 R728 | T577-A580 PolarHBondContact O-N 3.25Å; D578-A580 PolarHBondContact O-N 3.03Å; D578-A580 VanDerWaalsContact O-N 3.17Å; A580-L602 HydrophobicContact CB-CB 4.21Å; A580-L602 WeakPolarHBondContact O-CB 3.34Å; A580-L602 WeakPolarHBondContact O-CG 3.39Å; A580-L602 PolarHBondContact O-N 2.76Å; A580-A724 HydrophobicContact CB-CB 4.21Å; A580-R728 HydrophobicContact CB-CB 3.67Å; A580-R728 HydrophobicContact CB-CG 4Å |
| 581 | R | 89.4 | Confident | 89.3 | Confident | 104 Ų | 104 | 40.3 Ų | 40.3 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.2 | 163 | -53.8 | 167 | -170.6 | -111.2 | -0.8 | 110.2 | L576 T577 D579 E599 I600 | L576-R581 WeakPolarHBondContact CA-O 3.3Å; T577-R581 PolarHBondContact N-O 3.39Å; T577-R581 WeakPolarHBondContact OG1-CB 3.42Å; T577-R581 PolarHBondContact OG1-N 2.82Å; T577-R581 PolarHBondContact OG1-O 3.08Å; D579-R581 WeakPolarHBondContact OD1-CG 3.44Å; D579-R581 IonicContact OD1-NE 3.12Å; D579-R581 WeakPolarHBondContact OD2-CD 3.37Å; D579-R581 IonicContact OD2-CZ 2.76Å; D579-R581 IonicContact OD2-NE 3.88Å; D579-R581 PolarHBondContact OD2-NE 3.28Å; D579-R581 IonicContact OD2-NH2 2.71Å; D579-R581 PolarHBondContact OD2-NH2 2.89Å; R581-E599 HydrophobicContact CB-CG 3.99Å; R581-E599 VanDerWaalsContact CD-CD 3.5Å; R581-E599 WeakPolarHBondContact CD-OE1 3.38Å; R581-E599 HydrophobicContact CG-CG 4.24Å; R581-E599 IonicContact CZ-OE1 3.68Å; R581-E599 IonicContact NE-OE1 3.39Å; R581-E599 VanDerWaalsContact NH1-CD 3.29Å; R581-E599 IonicContact NH1-OE1 2.95Å; R581-E599 PolarHBondContact NH1-OE1 3.43Å; R581-E599 IonicContact NH1-OE2 2.12Å; R581-E599 PolarHBondContact NH1-OE2 3.34Å; R581-E599 VanDerWaalsContact NH1-OE2 3.16Å; R581-I600 WeakPolarHBondContact CA-O 3.37Å |
| 582 | L | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 105.4 | 168.2 | -175.6 | 140.7 | 0 | 0 | 0 | 109.3 | V574 L576 I600 L602 L697 F706 I721 | V574-L582 HydrophobicContact CG1-CD1 4Å; V574-L582 HydrophobicContact CG1-CD2 3.64Å; V574-L582 HydrophobicContact CG1-CG 3.71Å; L576-L582 HydrophobicContact CD1-CB 4.32Å; L576-L582 HydrophobicContact CD1-CD1 4.43Å; L582-I600 HydrophobicContact CB-CB 4.41Å; L582-I600 HydrophobicContact CD2-CD1 3.93Å; L582-I600 PolarHBondContact N-O 3.42Å; L582-I600 WeakPolarHBondContact O-CB 3.23Å; L582-I600 PolarHBondContact O-N 3.04Å; L582-L602 HydrophobicContact CB-CD1 4.13Å; L582-L602 HydrophobicContact CB-CD2 4.18Å; L582-L602 HydrophobicContact CB-CG 4.25Å; L582-L697 HydrophobicContact CD1-CD1 4.42Å; L582-L697 HydrophobicContact CD2-CD1 4.3Å; L582-F706 HydrophobicContact CD2-CE2 4.31Å; L582-F706 HydrophobicContact CD2-CZ 4.12Å; L582-I721 HydrophobicContact CD1-CD1 3.6Å; L582-I721 HydrophobicContact CD1-CG1 3.87Å |
| 583 | T | 92.5 | Very high | 88.7 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.5 | 179.1 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | V574 T575 K598 E599 | V574-T583 WeakPolarHBondContact CA-O 3.28Å; T575-T583 PolarHBondContact N-O 3.43Å; T575-T583 PolarHBondContact O-N 3.49Å; T575-T583 PolarHBondContact O-OG1 3.08Å; T575-T583 PolarHBondContact OG1-OG1 2.81Å; T583-K598 CarbonylContact C-O 3.53Å; T583-K598 VanDerWaalsContact CA-O 3.31Å; T583-K598 WeakPolarHBondContact CA-O 3.41Å; T583-E599 HydrophobicContact CG2-CB 4.05Å; T583-E599 HydrophobicContact CG2-CG 3.88Å |
| 584 | Y | 93.7 | Very high | 88 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 11% | 0.106 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.9 | 177.7 | 67.1 | -82.7 | 0 | 0 | 0 | 112.2 | K558 K572 Y573 K598 I600 F706 | K558-Y584 HydrophobicContact CD-CD2 4.3Å; K558-Y584 HydrophobicContact CD-CE2 3.84Å; K572-Y584 HydrophobicContact CD-CD2 4.22Å; K572-Y584 HydrophobicContact CG-CD2 4.27Å; Y573-Y584 CarbonylContact O-C 3.53Å; Y573-Y584 WeakPolarHBondContact O-CA 3.34Å; Y584-K598 HydrophobicContact CD1-CB 4.06Å; Y584-K598 WeakPolarHBondContact CD1-O 3.42Å; Y584-K598 HydrophobicContact CD2-CB 4.37Å; Y584-K598 HydrophobicContact CE1-CB 3.57Å; Y584-K598 HydrophobicContact CE2-CB 3.94Å; Y584-K598 HydrophobicContact CE2-CD 3.94Å; Y584-K598 HydrophobicContact CE2-CG 4.44Å; Y584-K598 HydrophobicContact CG-CB 4.43Å; Y584-K598 VanDerWaalsContact CZ-CB 3.5Å; Y584-K598 PolarHBondContact N-O 3.41Å; Y584-K598 PolarHBondContact O-N 3.08Å; Y584-K598 WeakPolarHBondContact OH-CD 3.44Å; Y584-I600 HydrophobicContact CD1-CD1 4Å; Y584-I600 HydrophobicContact CD1-CG1 4.16Å; Y584-I600 HydrophobicContact CE1-CD1 3.78Å; Y584-I600 HydrophobicContact CE1-CG1 3.81Å; Y584-F706 HydrophobicContact CD1-CZ 4.4Å |
| 585 | H | 91.5 | Very high | 87.2 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 152.2 | -176 | -68.1 | -106.7 | 0 | 0 | 0 | 110.9 | K572 Y573 S587 D590 Y591 S595 G597 | K572-H585 WeakPolarHBondContact CA-O 3.2Å; K572-H585 WeakPolarHBondContact CD-O 3.45Å; Y573-H585 PolarHBondContact N-O 3.29Å; Y573-H585 PolarHBondContact O-N 3.22Å; H585-S587 VanDerWaalsContact C-N 3.3Å; H585-S587 WeakPolarHBondContact CB-O 3.34Å; H585-S587 PolarHBondContact O-N 2.89Å; H585-D590 HydrophobicContact CB-CB 4.14Å; H585-Y591 AromaticContact CD2-CD2 3.92Å; H585-Y591 WeakPolarHBondContact ND1-CA 3.26Å; H585-Y591 PolarHBondContact ND1-N 2.84Å; H585-Y591 AromaticContact NE2-CD2 3.76Å; H585-S595 PolarHBondContact ND1-O 3.33Å; H585-G597 WeakPolarHBondContact CE1-CA 3.38Å; H585-G597 WeakPolarHBondContact ND1-CA 3.46Å; H585-G597 PolarHBondContact ND1-N 3.43Å |
| 586 | P | 88.2 | Confident | 86.5 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -57.8 | -40.7 | 179.1 | -22.1 | 32 | 0 | 0 | 0 | 113.3 | D590 H596 | P586-D590 WeakPolarHBondContact CB-OD2 3.46Å; P586-H596 HydrophobicContact CG-CB 3.77Å |
| 587 | S | 86 | Confident | 86.1 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -141.1 | 174.2 | 174.3 | 77.3 | 0 | 0 | 0 | 0 | 111.5 | H585 H589 D590 Y591 | H585-S587 VanDerWaalsContact C-N 3.3Å; H585-S587 WeakPolarHBondContact CB-O 3.34Å; H585-S587 PolarHBondContact O-N 2.89Å; S587-H589 VanDerWaalsContact C-N 3.29Å; S587-H589 PolarHBondContact OG-N 2.97Å; S587-D590 WeakPolarHBondContact CA-OD2 3.33Å; S587-D590 VanDerWaalsContact CB-OD2 3.25Å; S587-D590 WeakPolarHBondContact CB-OD2 3.31Å; S587-D590 PolarHBondContact N-OD2 2.63Å; S587-D590 PolarHBondContact O-N 3.49Å; S587-D590 PolarHBondContact OG-N 3.38Å; S587-D590 PolarHBondContact OG-OD2 3.1Å; S587-Y591 PolarHBondContact O-N 2.72Å |
| 588 | I | 86.5 | Confident | 86.1 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67 | -29.2 | 172.4 | -168 | 169.4 | 0 | 0 | 0 | 112.5 | F555 Y573 Y591 M592 | F555-I588 HydrophobicContact CZ-CB 4.28Å; Y573-I588 HydrophobicContact CD1-CG1 4.38Å; Y573-I588 HydrophobicContact CD2-CB 4.03Å; Y573-I588 HydrophobicContact CD2-CD1 4.23Å; Y573-I588 HydrophobicContact CD2-CG1 4.06Å; Y573-I588 HydrophobicContact CE1-CG1 4.27Å; Y573-I588 HydrophobicContact CE2-CB 4.41Å; Y573-I588 HydrophobicContact CE2-CD1 3.76Å; Y573-I588 HydrophobicContact CE2-CG1 3.95Å; Y573-I588 HydrophobicContact CG-CB 4.13Å; Y573-I588 HydrophobicContact CG-CG1 4.27Å; I588-Y591 WeakPolarHBondContact O-CB 3.19Å; I588-Y591 PolarHBondContact O-N 3.27Å; I588-M592 WeakPolarHBondContact O-CG 3.44Å; I588-M592 PolarHBondContact O-N 3.15Å |
| 589 | H | 85.5 | Confident | 86.4 | Confident | 127 Ų | 127 | 65.7 Ų | 65.7 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 176.9 | -60.3 | 105.7 | 0 | 0 | 0 | 111.4 | S587 Y591 M592 D593 | S587-H589 VanDerWaalsContact C-N 3.29Å; S587-H589 PolarHBondContact OG-N 2.97Å; H589-Y591 VanDerWaalsContact C-N 3.26Å; H589-Y591 PolarHBondContact O-N 3.12Å; H589-M592 CarbonylContact O-C 3.42Å; H589-M592 WeakPolarHBondContact O-CA 3.45Å; H589-M592 PolarHBondContact O-N 3.4Å; H589-D593 PolarHBondContact O-N 3.07Å |
| 590 | D | 88.5 | Confident | 86.8 | Confident | 29 Ų | 29 | 63 Ų | 63 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -36.6 | 174.5 | -53.1 | -80 | 0 | 0 | 0 | 111.3 | H585 P586 S587 N594 S595 H596 | H585-D590 HydrophobicContact CB-CB 4.14Å; P586-D590 WeakPolarHBondContact CB-OD2 3.46Å; S587-D590 WeakPolarHBondContact CA-OD2 3.33Å; S587-D590 VanDerWaalsContact CB-OD2 3.25Å; S587-D590 WeakPolarHBondContact CB-OD2 3.31Å; S587-D590 PolarHBondContact N-OD2 2.63Å; S587-D590 PolarHBondContact O-N 3.49Å; S587-D590 PolarHBondContact OG-N 3.38Å; S587-D590 PolarHBondContact OG-OD2 3.1Å; D590-N594 PolarHBondContact O-N 3.28Å; D590-S595 CarbonylContact C-O 3.56Å; D590-S595 WeakPolarHBondContact CA-OG 3.31Å; D590-S595 WeakPolarHBondContact CB-O 3.36Å; D590-S595 PolarHBondContact O-N 3.03Å; D590-S595 VanDerWaalsContact O-O 3.07Å; D590-S595 PolarHBondContact O-OG 3.12Å; D590-H596 HydrophobicContact CB-CB 4.42Å; D590-H596 IonicContact OD1-CD2 2.88Å; D590-H596 PolarHBondContact OD1-CD2 3.5Å |
| 591 | Y | 86.6 | Confident | 87 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 171.1 | 171.3 | -100.2 | 0 | 0 | 0 | 112.3 | R547 Y573 T575 H585 S587 I588 H589 N594 | R547-Y591 PolarHBondContact NH1-O 2.88Å; Y573-Y591 HydrophobicContact CD1-CD1 4.01Å; Y573-Y591 HydrophobicContact CD1-CD2 4.36Å; Y573-Y591 AromaticContact CD1-CG 3.77Å; Y573-Y591 HydrophobicContact CD1-CG 3.77Å; Y573-Y591 AromaticContact CE1-CD1 3.47Å; Y573-Y591 HydrophobicContact CE1-CD1 3.47Å; Y573-Y591 VanDerWaalsContact CE1-CD1 3.47Å; Y573-Y591 HydrophobicContact CE1-CD2 4.25Å; Y573-Y591 AromaticContact CE1-CE1 3.9Å; Y573-Y591 HydrophobicContact CE1-CE1 3.9Å; Y573-Y591 AromaticContact CE1-CG 3.68Å; Y573-Y591 HydrophobicContact CE1-CG 3.68Å; T575-Y591 HydrophobicContact CG2-CD2 4.21Å; T575-Y591 HydrophobicContact CG2-CE2 3.74Å; H585-Y591 AromaticContact CD2-CD2 3.92Å; H585-Y591 WeakPolarHBondContact ND1-CA 3.26Å; H585-Y591 PolarHBondContact ND1-N 2.84Å; H585-Y591 AromaticContact NE2-CD2 3.76Å; S587-Y591 PolarHBondContact O-N 2.72Å; I588-Y591 WeakPolarHBondContact O-CB 3.19Å; I588-Y591 PolarHBondContact O-N 3.27Å; H589-Y591 VanDerWaalsContact C-N 3.26Å; H589-Y591 PolarHBondContact O-N 3.12Å; Y591-N594 PolarHBondContact O-N 3.02Å |
| 592 | M | 84.6 | Confident | 87 | Confident | 111 Ų | 111 | 61.7 Ų | 61.7 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.2 | -70.6 | 176.5 | 69.8 | 0 | 0 | 112.4 | R547 I588 H589 N594 | R547-M592 PolarHBondContact NH2-O 3.18Å; I588-M592 WeakPolarHBondContact O-CG 3.44Å; I588-M592 PolarHBondContact O-N 3.15Å; H589-M592 CarbonylContact O-C 3.42Å; H589-M592 WeakPolarHBondContact O-CA 3.45Å; H589-M592 PolarHBondContact O-N 3.4Å; M592-N594 VanDerWaalsContact C-N 3.29Å; M592-N594 PolarHBondContact O-N 3.33Å |
| 593 | D | 83.8 | Confident | 86.6 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.7 | 177.4 | -67.8 | -28.5 | 0 | 0 | 0 | 113.6 | H589 S595 | H589-D593 PolarHBondContact O-N 3.07Å; D593-S595 PolarHBondContact O-N 3.08Å |
| 594 | N | 79.1 | Confident | 86.1 | Confident | 134 Ų | 134 | 71.1 Ų | 71.1 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.9 | -173.5 | -160 | 33.6 | 0 | 0 | 0 | 113.4 | D590 Y591 M592 | D590-N594 PolarHBondContact O-N 3.28Å; Y591-N594 PolarHBondContact O-N 3.02Å; M592-N594 VanDerWaalsContact C-N 3.29Å; M592-N594 PolarHBondContact O-N 3.33Å |
| 595 | S | 77.3 | Confident | 85.7 | Confident | 35 Ų | 35 | 70.1 Ų | 70.1 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | trans | -111.9 | 159.4 | -178.1 | 72.8 | 0 | 0 | 0 | 0 | 111.3 | H585 D590 D593 G597 | H585-S595 PolarHBondContact ND1-O 3.33Å; D590-S595 CarbonylContact C-O 3.56Å; D590-S595 WeakPolarHBondContact CA-OG 3.31Å; D590-S595 WeakPolarHBondContact CB-O 3.36Å; D590-S595 PolarHBondContact O-N 3.03Å; D590-S595 VanDerWaalsContact O-O 3.07Å; D590-S595 PolarHBondContact O-OG 3.12Å; D593-S595 PolarHBondContact O-N 3.08Å; S595-G597 PolarHBondContact O-N 3.32Å | ||
| 596 | H | 78.4 | Confident | 85.6 | Confident | 138 Ų | 138 | 73.5 Ų | 73.5 | 64% | 0.639 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 51.6 | 10.4 | 172.2 | -58.1 | -57.5 | 0 | 0 | 0 | 118.1 | P586 D590 | P586-H596 HydrophobicContact CG-CB 3.77Å; D590-H596 HydrophobicContact CB-CB 4.42Å; D590-H596 IonicContact OD1-CD2 2.88Å; D590-H596 PolarHBondContact OD1-CD2 3.5Å |
| 597 | G | 83.7 | Confident | 85.7 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | trans | -64.2 | 148.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H585 S595 | H585-G597 WeakPolarHBondContact CE1-CA 3.38Å; H585-G597 WeakPolarHBondContact ND1-CA 3.46Å; H585-G597 PolarHBondContact ND1-N 3.43Å; S595-G597 PolarHBondContact O-N 3.32Å | ||
| 598 | K | 89.7 | Confident | 85.9 | Confident | 125 Ų | 125 | 74.6 Ų | 74.6 | 54% | 0.543 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130 | 171.7 | -67.8 | -173.2 | 178.5 | -174.5 | 0 | 109.5 | T583 Y584 | T583-K598 CarbonylContact C-O 3.53Å; T583-K598 VanDerWaalsContact CA-O 3.31Å; T583-K598 WeakPolarHBondContact CA-O 3.41Å; Y584-K598 HydrophobicContact CD1-CB 4.06Å; Y584-K598 WeakPolarHBondContact CD1-O 3.42Å; Y584-K598 HydrophobicContact CD2-CB 4.37Å; Y584-K598 HydrophobicContact CE1-CB 3.57Å; Y584-K598 HydrophobicContact CE2-CB 3.94Å; Y584-K598 HydrophobicContact CE2-CD 3.94Å; Y584-K598 HydrophobicContact CE2-CG 4.44Å; Y584-K598 HydrophobicContact CG-CB 4.43Å; Y584-K598 VanDerWaalsContact CZ-CB 3.5Å; Y584-K598 PolarHBondContact N-O 3.41Å; Y584-K598 PolarHBondContact O-N 3.08Å; Y584-K598 WeakPolarHBondContact OH-CD 3.44Å |
| 599 | E | 89.8 | Confident | 85.9 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 150.8 | -179.5 | -162.6 | 174.3 | 114.2 | 0 | 0 | 111.7 | R581 T583 | R581-E599 HydrophobicContact CB-CG 3.99Å; R581-E599 VanDerWaalsContact CD-CD 3.5Å; R581-E599 WeakPolarHBondContact CD-OE1 3.38Å; R581-E599 HydrophobicContact CG-CG 4.24Å; R581-E599 IonicContact CZ-OE1 3.68Å; R581-E599 IonicContact NE-OE1 3.39Å; R581-E599 VanDerWaalsContact NH1-CD 3.29Å; R581-E599 IonicContact NH1-OE1 2.95Å; R581-E599 PolarHBondContact NH1-OE1 3.43Å; R581-E599 IonicContact NH1-OE2 2.12Å; R581-E599 PolarHBondContact NH1-OE2 3.34Å; R581-E599 VanDerWaalsContact NH1-OE2 3.16Å; T583-E599 HydrophobicContact CG2-CB 4.05Å; T583-E599 HydrophobicContact CG2-CG 3.88Å |
| 600 | I | 90.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115.4 | 166.8 | -57.5 | 177.9 | 0 | 0 | 0 | 106.1 | R581 L582 Y584 L602 L697 W704 F706 | R581-I600 WeakPolarHBondContact CA-O 3.37Å; L582-I600 HydrophobicContact CB-CB 4.41Å; L582-I600 HydrophobicContact CD2-CD1 3.93Å; L582-I600 PolarHBondContact N-O 3.42Å; L582-I600 WeakPolarHBondContact O-CB 3.23Å; L582-I600 PolarHBondContact O-N 3.04Å; Y584-I600 HydrophobicContact CD1-CD1 4Å; Y584-I600 HydrophobicContact CD1-CG1 4.16Å; Y584-I600 HydrophobicContact CE1-CD1 3.78Å; Y584-I600 HydrophobicContact CE1-CG1 3.81Å; I600-L602 HydrophobicContact CG2-CD2 4.12Å; I600-L602 PolarHBondContact O-N 3.31Å; I600-L697 HydrophobicContact CD1-CD1 4.29Å; I600-W704 HydrophobicContact CB-CZ2 4.47Å; I600-W704 HydrophobicContact CD1-CB 4.05Å; I600-W704 HydrophobicContact CD1-CD2 3.64Å; I600-W704 HydrophobicContact CD1-CE3 4.3Å; I600-W704 HydrophobicContact CD1-CG 3.52Å; I600-W704 HydrophobicContact CD1-CZ2 4.42Å; I600-W704 HydrophobicContact CG1-CD2 4.13Å; I600-W704 HydrophobicContact CG1-CG 4.4Å; I600-W704 HydrophobicContact CG1-CZ2 3.98Å; I600-W704 HydrophobicContact CG2-CD2 4.31Å; I600-W704 HydrophobicContact CG2-CE3 4.07Å; I600-W704 HydrophobicContact CG2-CH2 3.8Å; I600-W704 HydrophobicContact CG2-CZ2 4.04Å; I600-W704 HydrophobicContact CG2-CZ3 3.82Å; I600-F706 HydrophobicContact CD1-CE2 3.92Å; I600-F706 HydrophobicContact CD1-CZ 4.03Å |
| 601 | D | 89.1 | Confident | 84.5 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.2 | 170.6 | 176.5 | 1.3 | 0 | 0 | 0 | 108.8 | S603 T605 | D601-S603 VanDerWaalsContact CG-OG 3.23Å; D601-S603 WeakPolarHBondContact OD1-CB 3.18Å; D601-S603 PolarHBondContact OD1-N 3.43Å; D601-S603 PolarHBondContact OD1-OG 3.07Å; D601-S603 PolarHBondContact OD2-OG 3.39Å; D601-S603 VanDerWaalsContact OD2-OG 3.11Å; D601-T605 PolarHBondContact O-OG1 3.19Å |
| 602 | L | 90.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -85.1 | -13.8 | -179.1 | -56.5 | 172.2 | 0 | 0 | 0 | 112.8 | L576 A580 L582 I600 R604 T605 L697 I721 I725 | L576-L602 HydrophobicContact CD1-CD1 3.37Å; A580-L602 HydrophobicContact CB-CB 4.21Å; A580-L602 WeakPolarHBondContact O-CB 3.34Å; A580-L602 WeakPolarHBondContact O-CG 3.39Å; A580-L602 PolarHBondContact O-N 2.76Å; L582-L602 HydrophobicContact CB-CD1 4.13Å; L582-L602 HydrophobicContact CB-CD2 4.18Å; L582-L602 HydrophobicContact CB-CG 4.25Å; I600-L602 HydrophobicContact CG2-CD2 4.12Å; I600-L602 PolarHBondContact O-N 3.31Å; L602-R604 PolarHBondContact O-N 2.81Å; L602-T605 HydrophobicContact CD2-CG2 4.35Å; L602-T605 PolarHBondContact O-N 3.22Å; L602-L697 HydrophobicContact CD2-CD1 4.06Å; L602-I721 HydrophobicContact CD1-CG2 4.02Å; L602-I721 HydrophobicContact CD2-CG2 4.15Å; L602-I725 HydrophobicContact CB-CD1 4.34Å; L602-I725 HydrophobicContact CB-CG1 3.76Å |
| 603 | S | 83.1 | Confident | 81.7 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.4 | -177.6 | 72.7 | 0 | 0 | 0 | 0 | 114 | D601 | D601-S603 VanDerWaalsContact CG-OG 3.23Å; D601-S603 WeakPolarHBondContact OD1-CB 3.18Å; D601-S603 PolarHBondContact OD1-N 3.43Å; D601-S603 PolarHBondContact OD1-OG 3.07Å; D601-S603 PolarHBondContact OD2-OG 3.39Å; D601-S603 VanDerWaalsContact OD2-OG 3.11Å |
| 604 | R | 81.8 | Confident | 79.8 | Confident | 177 Ų | 177 | 73.2 Ų | 73.2 | 67% | 0.668 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 31 | 176.6 | -59.5 | -177.5 | 179.4 | -167 | -2.4 | 112.2 | L602 S699 | L602-R604 PolarHBondContact O-N 2.81Å; R604-S699 WeakPolarHBondContact O-CA 3.48Å; R604-S699 WeakPolarHBondContact O-CB 3.3Å; R604-S699 PolarHBondContact O-OG 3.48Å |
| 605 | T | 86.8 | Confident | 78.1 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.043 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 133.4 | -174.5 | -59 | 0 | 0 | 0 | 0 | 110.6 | D601 L602 L697 I698 S699 W704 I725 | D601-T605 PolarHBondContact O-OG1 3.19Å; L602-T605 HydrophobicContact CD2-CG2 4.35Å; L602-T605 PolarHBondContact O-N 3.22Å; T605-L697 HydrophobicContact CG2-CB 3.77Å; T605-I698 CarbonylContact C-O 3.58Å; T605-I698 WeakPolarHBondContact CA-O 3.26Å; T605-S699 WeakPolarHBondContact OG1-CB 3.44Å; T605-W704 HydrophobicContact CG2-CZ3 4.34Å; T605-I725 WeakPolarHBondContact O-CD1 3.29Å |
| 606 | T | 89.2 | Confident | 76.4 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 160.8 | 174 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | L697 I698 | T606-L697 WeakPolarHBondContact O-CA 3.34Å; T606-I698 PolarHBondContact N-O 3.1Å; T606-I698 PolarHBondContact O-N 2.97Å; T606-I698 PolarHBondContact OG1-O 3.32Å |
| 607 | V | 90.7 | Very high | 74.3 | Confident | 14 Ų | 14 | 78 Ų | 78 | 9% | 0.085 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.6 | 173.4 | -165.1 | 0 | 0 | 0 | 0 | 109.4 | F695 Q696 L697 V718 I721 E722 I725 | V607-F695 HydrophobicContact CG1-CD2 4.22Å; V607-Q696 CarbonylContact C-O 3.54Å; V607-Q696 WeakPolarHBondContact CA-O 3.32Å; V607-L697 HydrophobicContact CB-CD2 4.42Å; V607-L697 HydrophobicContact CG1-CD2 4.21Å; V607-L697 HydrophobicContact CG2-CD2 3.87Å; V607-V718 HydrophobicContact CG1-CG1 4.07Å; V607-V718 HydrophobicContact CG1-CG2 3.99Å; V607-I721 HydrophobicContact CG2-CB 4.42Å; V607-I721 HydrophobicContact CG2-CG2 3.56Å; V607-E722 HydrophobicContact CG2-CG 4.14Å; V607-I725 HydrophobicContact CG2-CD1 4.22Å |
| 608 | K | 88.9 | Confident | 71.9 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.8 | 174.6 | 178.4 | -173.3 | 178 | -172.2 | 0 | 109.6 | Q696 I698 | K608-Q696 HydrophobicContact CB-CB 4.39Å; K608-Q696 PolarHBondContact N-O 3.35Å; K608-Q696 PolarHBondContact O-N 3.24Å; K608-I698 HydrophobicContact CB-CD1 3.93Å; K608-I698 HydrophobicContact CD-CD1 3.83Å |
| 609 | I | 86.9 | Confident | 69.1 | Low | 33 Ų | 33 | 78.5 Ų | 78.5 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | trans | -97.1 | 121.2 | 169.6 | -57.7 | 170.7 | 0 | 0 | 0 | 107.5 | V612 V718 | I609-V612 HydrophobicContact CB-CB 4.18Å; I609-V612 HydrophobicContact CB-CG2 4.16Å; I609-V612 HydrophobicContact CG2-CB 4.26Å; I609-V612 HydrophobicContact CG2-CG2 3.7Å; I609-V612 PolarHBondContact O-N 3.49Å; I609-V718 HydrophobicContact CD1-CG1 4.39Å; I609-V718 HydrophobicContact CD1-CG2 4.22Å; I609-V718 HydrophobicContact CG1-CG2 4.24Å | ||
| 610 | P | 76.8 | Confident | 66.4 | Low | 37 Ų | 37 | 85.5 Ų | 85.5 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 143.5 | 171.9 | -25.1 | 36 | 0 | 0 | 0 | 111.9 | V612 E694 Q696 | P610-V612 PolarHBondContact O-N 2.95Å; P610-E694 WeakPolarHBondContact CD-O 3.43Å; P610-E694 HydrophobicContact CG-CB 4.32Å; P610-E694 HydrophobicContact CG-CG 4.15Å; P610-Q696 HydrophobicContact CG-CG 4.35Å |
| 611 | G | 68.8 | Low | 63.5 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 98% | 0.979 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -5.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 612 | V | 66.9 | Low | 60.6 | Low | 63 Ų | 63 | 96.1 Ų | 96.1 | 38% | 0.382 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -111.3 | 123.3 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | I609 P610 | I609-V612 HydrophobicContact CB-CB 4.18Å; I609-V612 HydrophobicContact CB-CG2 4.16Å; I609-V612 HydrophobicContact CG2-CB 4.26Å; I609-V612 HydrophobicContact CG2-CG2 3.7Å; I609-V612 PolarHBondContact O-N 3.49Å; P610-V612 PolarHBondContact O-N 2.95Å |
| 613 | A | 45.1 | Very low | 57.8 | Low | 88 Ų | 88 | 101 Ų | 101 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | trans | -61.2 | 140.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | R615 | A613-R615 PolarHBondContact O-N 2.9Å; A613-R615 VanDerWaalsContact O-N 3.14Å | ||
| 614 | F | 44 | Very low | 55.2 | Low | 147 Ų | 147 | 107.5 Ų | 107.5 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | trans | -63 | 111.6 | -168.8 | -174.9 | -102.3 | 0 | 0 | 0 | 112.7 | Q616 | F614-Q616 HydrophobicContact CD1-CG 4.01Å; F614-Q616 HydrophobicContact CE1-CG 3.65Å | ||
| 615 | R | 43.1 | Very low | 52.7 | Low | 199 Ų | 199 | 102 Ų | 102 | 75% | 0.751 | 59% | 0.593 | S | S | * | * | trans | -90 | 109.9 | -179.5 | -61.5 | -172.8 | -179.2 | -158.6 | -1.1 | 110.4 | A613 V617 | A613-R615 PolarHBondContact O-N 2.9Å; A613-R615 VanDerWaalsContact O-N 3.14Å; R615-V617 HydrophobicContact CB-CG2 4.43Å; R615-V617 PolarHBondContact O-N 2.73Å | ||
| 616 | Q | 41.9 | Very low | 49.9 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | trans | -73.6 | 90 | 168.5 | -74.4 | -171.1 | -18.6 | 0 | 0 | 110.4 | F614 G618 | F614-Q616 HydrophobicContact CD1-CG 4.01Å; F614-Q616 HydrophobicContact CE1-CG 3.65Å; Q616-G618 PolarHBondContact O-N 3.34Å | ||
| 617 | V | 32.7 | Very low | 47.2 | Very low | 103 Ų | 103 | 114 Ų | 114 | 62% | 0.624 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 67.8 | 172.3 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | R615 M726 | R615-V617 HydrophobicContact CB-CG2 4.43Å; R615-V617 PolarHBondContact O-N 2.73Å; V617-M726 WeakPolarHBondContact O-CE 3.48Å |
| 618 | G | 34.2 | Very low | 44.1 | Very low | 65 Ų | 65 | 125.5 Ų | 125.5 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | -1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q616 | Q616-G618 PolarHBondContact O-N 3.34Š|
| 619 | S | 32 | Very low | 41.2 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -115.1 | 21.1 | -166.7 | -156.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 620 | R | 31.8 | Very low | 38.4 | Very low | 243 Ų | 243 | 131.5 Ų | 131.5 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -144.1 | 22.8 | -179.4 | -72 | -162.9 | -179.8 | -172.3 | 1.2 | 116.6 | ||
| 621 | I | 30.4 | Very low | 36.2 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -138 | 61.7 | 169.3 | -43.4 | 178.7 | 0 | 0 | 0 | 111 | ||||
| 622 | T | 28.5 | Very low | 34.4 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -140.9 | 63.4 | 170.9 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 623 | S | 31.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -126.6 | 111.1 | 167.9 | 56.5 | 0 | 0 | 0 | 0 | 108.8 | G625 | S623-G625 PolarHBondContact O-N 2.91Å; S623-G625 VanDerWaalsContact O-N 3.16Å | ||
| 624 | N | 28.3 | Very low | 32 | Very low | 182 Ų | 182 | 145 Ų | 145 | 97% | 0.973 | 78% | 0.784 | S | S | * | * | trans | -68 | 110.6 | 177.7 | -74.1 | -38.2 | 0 | 0 | 0 | 110.2 | ||||
| 625 | G | 28.4 | Very low | 31.4 | Very low | 62 Ų | 62 | 141.9 Ų | 141.9 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | trans | 157.4 | 152.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S623 | S623-G625 PolarHBondContact O-N 2.91Å; S623-G625 VanDerWaalsContact O-N 3.16Å | ||
| 626 | L | 28.8 | Very low | 30.9 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 60.5 | 75.9 | 172.8 | -54.1 | 176.3 | 0 | 0 | 0 | 116.5 | ||
| 627 | L | 31.2 | Very low | 30.5 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | -177 | 81.7 | 124.4 | -97.7 | 164.5 | 0 | 0 | 0 | 111.3 | |||||
| 628 | R | 26.3 | Very low | 30.5 | Very low | 257 Ų | 257 | 144.5 Ų | 144.5 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | trans | -123.2 | 63.8 | 167.8 | -167 | -169.2 | 179.9 | -168.9 | 0.7 | 110.6 | ||||
| 629 | S | 26.6 | Very low | 30.5 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | trans | -165.1 | -179.1 | 167.2 | -167.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 630 | Q | 29.8 | Very low | 30.7 | Very low | 167 Ų | 167 | 152 Ų | 152 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 73.5 | 33.3 | 176.9 | -55.7 | -70.6 | 4.6 | 0 | 0 | 117.2 | ||
| 631 | L | 29.7 | Very low | 30.9 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -153.6 | 88.4 | 144.7 | -83.7 | -167 | 0 | 0 | 0 | 110.5 | ||||
| 632 | N | 31.8 | Very low | 31 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -154.5 | 154.8 | 139.1 | -153 | 45.6 | 0 | 0 | 0 | 110.9 | ||||
| 633 | D | 31.1 | Very low | 31.4 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -100.5 | 155.5 | -170.8 | -174.5 | 22.8 | 0 | 0 | 0 | 112.7 | ||||
| 634 | G | 29.2 | Very low | 31.5 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 68.6 | 142.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 635 | G | 32.8 | Very low | 31.8 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 141.4 | 95.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 636 | T | 32 | Very low | 32.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -72 | 160.6 | 175 | 44.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 637 | D | 33.8 | Very low | 32.1 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | trans | 72.7 | 148.5 | 155.7 | -74.8 | -30.7 | 0 | 0 | 0 | 119.5 | ||||
| 638 | R | 32.7 | Very low | 32.5 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | -170.9 | 158.2 | -30.5 | -131.6 | -177.4 | -173.7 | 156.4 | -5.3 | 110 | ||||
| 639 | R | 34.5 | Very low | 32.7 | Very low | 229 Ų | 229 | 133.9 Ų | 133.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | 67.6 | 158.8 | 171.3 | -61.1 | 177.6 | 173.4 | -172.9 | -2.3 | 115 | ||||
| 640 | S | 34.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -171.7 | 163 | -27.6 | -81.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 641 | T | 36.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | cis | -151.9 | 148.3 | 20.6 | 41.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 642 | G | 32.5 | Very low | 33 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 69.7 | 158.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 643 | V | 36.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | cis | -142.7 | 114.5 | 3.3 | 165 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 644 | D | 33.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | 51.2 | 146.1 | 131.1 | -57.8 | -59.5 | 0 | 0 | 0 | 121.3 | ||||
| 645 | V | 34.1 | Very low | 33.7 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 60% | 0.6 | 76% | 0.755 | S | S | * | * | cis | -164.8 | 151.4 | 9 | 103.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 646 | K | 36.4 | Very low | 33.8 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | trans | 42.7 | 125.6 | 155.7 | -60.4 | 158.9 | -158.3 | 165.3 | 0 | 119.5 | ||||
| 647 | N | 28.5 | Very low | 33.8 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | cis | 70.8 | 148.8 | 18.9 | -128.1 | 25.2 | 0 | 0 | 0 | 115.6 | ||||
| 648 | P | 40 | Very low | 33.9 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | -133.8 | -134.2 | -82.3 | 43.2 | -27.4 | 0 | 0 | 0 | 113 | |||||
| 649 | T | 30.6 | Very low | 34.2 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | trans | 89.3 | 129.2 | 157.7 | 22.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 650 | E | 29 | Very low | 34.3 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | 91.9 | 113.9 | 138.2 | -77.3 | 179.4 | -122.5 | 0 | 0 | 125.2 | ||||
| 651 | N | 29.5 | Very low | 34.3 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | 80.3 | 143.8 | 130.1 | -61.6 | -26.4 | 0 | 0 | 0 | 123.3 | ||||
| 652 | S | 33.5 | Very low | 34.2 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | trans | 87.6 | 154.4 | 161.7 | -45 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 653 | A | 32.6 | Very low | 34.2 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -156.4 | -178.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 654 | P | 39.7 | Very low | 34 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | cis | -122.7 | -147.9 | -41.8 | 35.9 | -17.6 | 0 | 0 | 0 | 110.6 | ||||
| 655 | L | 34.3 | Very low | 33.9 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | 88.6 | 145.9 | 172.9 | -55.2 | 175.4 | 0 | 0 | 0 | 116.1 | ||||
| 656 | N | 33.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 125 Ų | 125 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -167.4 | 156.6 | -22.7 | -168.9 | 44.9 | 0 | 0 | 0 | 110.9 | ||||
| 657 | D | 33.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | 58 | 163.1 | 163.7 | -68.7 | -11.8 | 0 | 0 | 0 | 119.5 | ||||
| 658 | N | 35.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | -165.6 | 162.5 | -37 | -101.8 | -30.1 | 0 | 0 | 0 | 110.4 | ||||
| 659 | S | 38.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 120.9 | 123.9 | 147.5 | -51.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 660 | A | 36.5 | Very low | 33.1 | Very low | 95 Ų | 95 | 122.3 Ų | 122.3 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 34.4 | 145.2 | 137.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 661 | S | 35.4 | Very low | 33.5 | Very low | 119 Ų | 119 | 119 Ų | 119 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | cis | -176.9 | 146.7 | -9.1 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 662 | G | 33.5 | Very low | 33.6 | Very low | 84 Ų | 84 | 124.5 Ų | 124.5 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | 115.2 | 122.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 663 | G | 32.4 | Very low | 33.8 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | 124.8 | 119.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 664 | K | 33.8 | Very low | 34 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | 77.2 | 128.2 | 155.8 | -66.3 | -168.4 | 176 | -169.1 | 0 | 121.7 | ||||
| 665 | D | 31.1 | Very low | 33.8 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | trans | 60.9 | 130 | 135.1 | -47.9 | -27.2 | 0 | 0 | 0 | 123 | ||||
| 666 | S | 32 | Very low | 33.9 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | 78.8 | 130.4 | 161.8 | 77.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 667 | S | 32.8 | Very low | 34 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 34.7 | 126.5 | 149 | 54.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 668 | S | 29.9 | Very low | 34.1 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 102.9 | 106.8 | 132.4 | 77.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 669 | V | 29.1 | Very low | 34 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | 38.4 | 116.8 | 137.2 | -154.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 670 | K | 29.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | -176.6 | 175.2 | 114.3 | -97.7 | 175.8 | -161.9 | -172 | 0 | 114.3 | L401 L402 | L401-K670 PolarHBondContact O-NZ 3.08Å; L402-K670 WeakPolarHBondContact O-CE 3.35Å; L402-K670 PolarHBondContact O-NZ 3.1Å | |||
| 671 | K | 36.6 | Very low | 33.8 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 37% | 0.365 | 77% | 0.767 | S | S | . | * | trans | -132 | 147.7 | -154.7 | 161.1 | -159.2 | 171.6 | -166.1 | 0 | 112.1 | E404 | E404-K671 VanDerWaalsContact C-NZ 3.34Å; E404-K671 WeakPolarHBondContact O-CD 3.37Å; E404-K671 WeakPolarHBondContact O-CE 3.39Å; E404-K671 PolarHBondContact O-NZ 2.79Å | ||
| 672 | R | 31.9 | Very low | 33.6 | Very low | 246 Ų | 246 | 143.6 Ų | 143.6 | 93% | 0.928 | 76% | 0.758 | S | S | * | * | trans | -174 | 171 | 150.5 | -101.2 | 147.6 | -173.8 | -162.5 | 2.9 | 111.3 | ||||
| 673 | H | 38.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | 171.3 | 123.4 | -56.1 | -136.9 | 76.7 | 0 | 0 | 0 | 108.7 | |||||
| 674 | R | 36.5 | Very low | 33.6 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | 152 | 158.4 | 158.7 | -89.7 | 177.7 | -74.7 | -168.1 | 2.8 | 109.5 | ||||
| 675 | R | 35.2 | Very low | 33.7 | Very low | 218 Ų | 218 | 144.4 Ų | 144.4 | 82% | 0.823 | 75% | 0.746 | S | S | * | * | cis | -150.6 | 130.4 | 12.2 | -159.2 | 176.7 | -176.1 | 163.3 | -0.5 | 113.3 | ||||
| 676 | I | 36.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | 18.7 | 120.7 | 145.4 | -47.1 | 164.5 | 0 | 0 | 0 | 119.8 | ||||
| 677 | K | 35.3 | Very low | 34 | Very low | 209 Ų | 209 | 144.1 Ų | 144.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | -154.6 | 160 | 123.9 | -152.7 | 164.3 | -177.1 | 178.7 | 0 | 111.5 | |||||
| 678 | S | 36.6 | Very low | 34.2 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -124 | 144.3 | -164.2 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 679 | N | 33.5 | Very low | 34.7 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | -165.2 | 147.5 | 125.2 | -138.7 | 19.2 | 0 | 0 | 0 | 112.2 | |||||
| 680 | P | 36.5 | Very low | 35.7 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | trans | -114.4 | 164 | 179.7 | 40.6 | -31.9 | 0 | 0 | 0 | 114.7 | ||||
| 681 | K | 33.4 | Very low | 37 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | trans | 177 | 119.3 | 150.8 | -97.8 | 163.9 | -178.6 | -176.9 | 0 | 107.4 | ||||
| 682 | S | 32 | Very low | 38.5 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | 65.4 | 130.8 | 78.5 | 82.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 683 | N | 32.2 | Very low | 40.9 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | cis | -164.4 | 166.3 | 16.5 | -123 | 12.6 | 0 | 0 | 0 | 113.3 | ||||
| 684 | N | 33.4 | Very low | 43.3 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | trans | 73.1 | 153.2 | 157.3 | -59.1 | -1.2 | 0 | 0 | 0 | 120.2 | ||||
| 685 | A | 34.8 | Very low | 45.9 | Very low | 85 Ų | 85 | 116.9 Ų | 116.9 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | cis | 179 | 127.1 | -40.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 686 | D | 34 | Very low | 48.6 | Very low | 178 Ų | 178 | 107.6 Ų | 107.6 | 95% | 0.952 | 61% | 0.61 | S | S | * | * | trans | 154.2 | 131.8 | 134.7 | -103.6 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 687 | G | 36.1 | Very low | 51.2 | Low | 67 Ų | 67 | 100.4 Ų | 100.4 | 69% | 0.691 | 57% | 0.574 | S | S | * | * | trans | 168.1 | -12.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 688 | S | 36.2 | Very low | 53.8 | Low | 103 Ų | 103 | 93 Ų | 93 | 72% | 0.72 | 54% | 0.543 | S | S | * | . | trans | 58.1 | 87.5 | 168.7 | 58.2 | 0 | 0 | 0 | 0 | 119.5 | S690 | S688-S690 VanDerWaalsContact C-N 3.29Å; S688-S690 PolarHBondContact O-N 3.34Å | ||
| 689 | D | 40.2 | Very low | 56.1 | Low | 156 Ų | 156 | 89.5 Ų | 89.5 | 83% | 0.834 | 52% | 0.519 | S | S | * | . | trans | -70.1 | 68.1 | 166 | -59.7 | -77.1 | 0 | 0 | 0 | 113.3 | ||||
| 690 | S | 52 | Low | 58.1 | Low | 51 Ų | 51 | 90 Ų | 90 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | trans | -108.1 | -1.4 | -170.6 | -89.4 | 0 | 0 | 0 | 0 | 117.3 | S688 | S688-S690 VanDerWaalsContact C-N 3.29Å; S688-S690 PolarHBondContact O-N 3.34Å | ||
| 691 | E | 56.9 | Low | 60.3 | Low | 167 Ų | 167 | 90 Ų | 90 | 78% | 0.78 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -89.6 | -16.9 | -168.8 | -57 | -165.9 | 144.8 | 0 | 0 | 114.5 | Y693 | E691-Y693 PolarHBondContact O-N 2.96Š|
| 692 | G | 66.4 | Low | 62.7 | Low | 34 Ų | 34 | 88 Ų | 88 | 35% | 0.351 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | R714 | G692-R714 PolarHBondContact O-NH1 3.38Š|
| 693 | Y | 83.2 | Confident | 65.4 | Low | 90 Ų | 90 | 88.8 Ų | 88.8 | 35% | 0.353 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 2.9 | -164 | -39.9 | -49.5 | 0 | 0 | 0 | 114.7 | E691 E707 A708 P711 | E691-Y693 PolarHBondContact O-N 2.96Å; Y693-E707 WeakPolarHBondContact O-CA 3.36Å; Y693-A708 PolarHBondContact O-N 2.82Å; Y693-P711 HydrophobicContact CD1-CB 4.29Å; Y693-P711 HydrophobicContact CE1-CB 4.46Å; Y693-P711 HydrophobicContact CE1-CG 4.32Å |
| 694 | E | 88.2 | Confident | 68.1 | Low | 14 Ų | 14 | 83.6 Ų | 83.6 | 7% | 0.065 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 146.5 | -178.2 | -175.8 | 171.3 | -149.5 | 0 | 0 | 112.5 | R559 P610 H705 F706 | R559-E694 VanDerWaalsContact CD-OE1 3.31Å; R559-E694 WeakPolarHBondContact CD-OE1 3.18Å; R559-E694 IonicContact CZ-OE1 3.98Å; R559-E694 VanDerWaalsContact CZ-OE1 3.22Å; R559-E694 IonicContact CZ-OE2 2.99Å; R559-E694 IonicContact NE-OE1 2.83Å; R559-E694 PolarHBondContact NE-OE1 2.9Å; R559-E694 IonicContact NH1-OE1 2.67Å; R559-E694 PolarHBondContact NH1-OE1 3.1Å; R559-E694 IonicContact NH1-OE2 3.25Å; R559-E694 PolarHBondContact NH1-OE2 2.97Å; R559-E694 IonicContact NH2-OE2 2.96Å; R559-E694 PolarHBondContact NH2-OE2 3.41Å; P610-E694 WeakPolarHBondContact CD-O 3.43Å; P610-E694 HydrophobicContact CG-CB 4.32Å; P610-E694 HydrophobicContact CG-CG 4.15Å; E694-H705 WeakPolarHBondContact OE1-CB 3.49Å; E694-H705 IonicContact OE1-CD2 2.66Å; E694-H705 PolarHBondContact OE1-CD2 3.45Å; E694-H705 IonicContact OE1-CG 3.12Å; E694-F706 CarbonylContact C-O 3.47Å; E694-F706 WeakPolarHBondContact CA-O 3.23Å |
| 695 | F | 91.9 | Very high | 70.8 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.2 | 161.7 | 68.5 | -82.1 | 0 | 0 | 0 | 110.3 | L556 V607 L697 F706 R714 W717 V718 I721 | L556-F695 HydrophobicContact CD1-CE1 4.15Å; L556-F695 HydrophobicContact CD1-CZ 3.69Å; L556-F695 HydrophobicContact CD2-CE1 4Å; L556-F695 HydrophobicContact CD2-CZ 4.38Å; V607-F695 HydrophobicContact CG1-CD2 4.22Å; F695-L697 HydrophobicContact CD2-CD2 4.23Å; F695-L697 HydrophobicContact CE2-CD2 4.19Å; F695-L697 HydrophobicContact CE2-CG 4.37Å; F695-F706 HydrophobicContact CD1-CB 4.28Å; F695-F706 HydrophobicContact CE1-CB 3.82Å; F695-F706 HydrophobicContact CE2-CB 4.09Å; F695-F706 HydrophobicContact CE2-CD2 4.45Å; F695-F706 HydrophobicContact CZ-CB 3.74Å; F695-F706 HydrophobicContact CZ-CG 4.42Å; F695-F706 PolarHBondContact N-O 3.27Å; F695-F706 PolarHBondContact O-N 3.15Å; F695-R714 HydrophobicContact CB-CG 4.39Å; F695-R714 HydrophobicContact CD1-CG 4.04Å; F695-W717 HydrophobicContact CE1-CB 4.12Å; F695-W717 HydrophobicContact CZ-CB 3.97Å; F695-V718 HydrophobicContact CB-CG2 4.03Å; F695-V718 HydrophobicContact CD2-CG2 4.32Å; F695-V718 HydrophobicContact CG-CG2 4.09Å; F695-I721 HydrophobicContact CE2-CD1 3.72Å; F695-I721 HydrophobicContact CZ-CD1 4.19Å |
| 696 | Q | 91 | Very high | 73.6 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.2 | -174.9 | -55 | -178.4 | -9.5 | 0 | 0 | 109.1 | V607 K608 P610 I698 H705 | V607-Q696 CarbonylContact C-O 3.54Å; V607-Q696 WeakPolarHBondContact CA-O 3.32Å; K608-Q696 HydrophobicContact CB-CB 4.39Å; K608-Q696 PolarHBondContact N-O 3.35Å; K608-Q696 PolarHBondContact O-N 3.24Å; P610-Q696 HydrophobicContact CG-CG 4.35Å; Q696-I698 HydrophobicContact CB-CG1 4.36Å; Q696-H705 PolarHBondContact NE2-CE1 2.87Å; Q696-H705 PolarHBondContact NE2-NE2 3.22Å |
| 697 | L | 92.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 127.7 | 166.6 | -58.6 | -174.6 | 0 | 0 | 0 | 108.2 | L582 I600 L602 T605 T606 V607 F695 Q703 W704 F706 I721 | L582-L697 HydrophobicContact CD1-CD1 4.42Å; L582-L697 HydrophobicContact CD2-CD1 4.3Å; I600-L697 HydrophobicContact CD1-CD1 4.29Å; L602-L697 HydrophobicContact CD2-CD1 4.06Å; T605-L697 HydrophobicContact CG2-CB 3.77Å; T606-L697 WeakPolarHBondContact O-CA 3.34Å; V607-L697 HydrophobicContact CB-CD2 4.42Å; V607-L697 HydrophobicContact CG1-CD2 4.21Å; V607-L697 HydrophobicContact CG2-CD2 3.87Å; F695-L697 HydrophobicContact CD2-CD2 4.23Å; F695-L697 HydrophobicContact CE2-CD2 4.19Å; F695-L697 HydrophobicContact CE2-CG 4.37Å; L697-Q703 CarbonylContact O-C 3.55Å; L697-Q703 VanDerWaalsContact O-CA 3.29Å; L697-Q703 WeakPolarHBondContact O-CA 3.23Å; L697-W704 HydrophobicContact CB-CB 4.39Å; L697-W704 HydrophobicContact CB-CE3 4.11Å; L697-W704 PolarHBondContact N-O 2.9Å; L697-W704 PolarHBondContact O-N 2.99Å; L697-F706 HydrophobicContact CD1-CD2 4.25Å; L697-F706 HydrophobicContact CD1-CE2 3.96Å; L697-F706 HydrophobicContact CG-CD2 4.33Å; L697-F706 HydrophobicContact CG-CE2 4.45Å; L697-I721 HydrophobicContact CD2-CD1 4.3Å; L697-I721 HydrophobicContact CD2-CG2 4.05Å |
| 698 | I | 89.7 | Confident | 78.9 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 114.7 | -174.2 | -55 | 176.7 | 0 | 0 | 0 | 109.4 | T605 T606 K608 Q696 Q703 | T605-I698 CarbonylContact C-O 3.58Å; T605-I698 WeakPolarHBondContact CA-O 3.26Å; T606-I698 PolarHBondContact N-O 3.1Å; T606-I698 PolarHBondContact O-N 2.97Å; T606-I698 PolarHBondContact OG1-O 3.32Å; K608-I698 HydrophobicContact CB-CD1 3.93Å; K608-I698 HydrophobicContact CD-CD1 3.83Å; Q696-I698 HydrophobicContact CB-CG1 4.36Å; I698-Q703 HydrophobicContact CG1-CB 4.48Å |
| 699 | S | 85.1 | Confident | 81.2 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 178.1 | 166.9 | -165 | 0 | 0 | 0 | 0 | 110.1 | R604 T605 D701 R702 | R604-S699 WeakPolarHBondContact O-CA 3.48Å; R604-S699 WeakPolarHBondContact O-CB 3.3Å; R604-S699 PolarHBondContact O-OG 3.48Å; T605-S699 WeakPolarHBondContact OG1-CB 3.44Å; S699-D701 VanDerWaalsContact C-N 3.29Å; S699-D701 PolarHBondContact O-N 3.37Å; S699-R702 PolarHBondContact N-O 3.04Å |
| 700 | M | 75.4 | Confident | 83.4 | Confident | 170 Ų | 170 | 56.8 Ų | 56.8 | 84% | 0.837 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -64.1 | -29.4 | -174.3 | -56.3 | -170.4 | -52.6 | 0 | 0 | 113.7 | ||
| 701 | D | 81.1 | Confident | 84.9 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -112.6 | -11.5 | -178.1 | 82.1 | -34.8 | 0 | 0 | 0 | 114.3 | S699 | S699-D701 VanDerWaalsContact C-N 3.29Å; S699-D701 PolarHBondContact O-N 3.37Å |
| 702 | R | 84.8 | Confident | 86.4 | Confident | 151 Ų | 151 | 54.9 Ų | 54.9 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | trans | -147.4 | 143.2 | -167.2 | -78.6 | 167.2 | -135.8 | -132.3 | -10.4 | 112.7 | S699 W704 | S699-R702 PolarHBondContact N-O 3.04Å; R702-W704 HydrophobicContact CB-CD2 4.35Å; R702-W704 HydrophobicContact CB-CE3 4.2Å; R702-W704 HydrophobicContact CB-CH2 3.44Å; R702-W704 VanDerWaalsContact CB-CH2 3.44Å; R702-W704 HydrophobicContact CB-CZ2 3.6Å; R702-W704 HydrophobicContact CB-CZ3 3.76Å; R702-W704 VanDerWaalsContact CD-CZ2 3.47Å; R702-W704 HydrophobicContact CG-CH2 4.31Å; R702-W704 HydrophobicContact CG-CZ2 4.11Å | ||
| 703 | Q | 87.4 | Confident | 87.5 | Confident | 109 Ų | 109 | 55.1 Ų | 55.1 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.8 | 164.8 | 55.6 | -179 | -8.8 | 0 | 0 | 111 | L697 I698 H705 | L697-Q703 CarbonylContact O-C 3.55Å; L697-Q703 VanDerWaalsContact O-CA 3.29Å; L697-Q703 WeakPolarHBondContact O-CA 3.23Å; I698-Q703 HydrophobicContact CG1-CB 4.48Å; Q703-H705 PolarHBondContact OE1-CE1 3.5Å |
| 704 | W | 90.8 | Very high | 87.8 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 109.7 | 175.5 | -54.7 | -103.6 | 0 | 0 | 0 | 109.2 | I600 T605 L697 R702 F706 | I600-W704 HydrophobicContact CB-CZ2 4.47Å; I600-W704 HydrophobicContact CD1-CB 4.05Å; I600-W704 HydrophobicContact CD1-CD2 3.64Å; I600-W704 HydrophobicContact CD1-CE3 4.3Å; I600-W704 HydrophobicContact CD1-CG 3.52Å; I600-W704 HydrophobicContact CD1-CZ2 4.42Å; I600-W704 HydrophobicContact CG1-CD2 4.13Å; I600-W704 HydrophobicContact CG1-CG 4.4Å; I600-W704 HydrophobicContact CG1-CZ2 3.98Å; I600-W704 HydrophobicContact CG2-CD2 4.31Å; I600-W704 HydrophobicContact CG2-CE3 4.07Å; I600-W704 HydrophobicContact CG2-CH2 3.8Å; I600-W704 HydrophobicContact CG2-CZ2 4.04Å; I600-W704 HydrophobicContact CG2-CZ3 3.82Å; T605-W704 HydrophobicContact CG2-CZ3 4.34Å; L697-W704 HydrophobicContact CB-CB 4.39Å; L697-W704 HydrophobicContact CB-CE3 4.11Å; L697-W704 PolarHBondContact N-O 2.9Å; L697-W704 PolarHBondContact O-N 2.99Å; R702-W704 HydrophobicContact CB-CD2 4.35Å; R702-W704 HydrophobicContact CB-CE3 4.2Å; R702-W704 HydrophobicContact CB-CH2 3.44Å; R702-W704 VanDerWaalsContact CB-CH2 3.44Å; R702-W704 HydrophobicContact CB-CZ2 3.6Å; R702-W704 HydrophobicContact CB-CZ3 3.76Å; R702-W704 VanDerWaalsContact CD-CZ2 3.47Å; R702-W704 HydrophobicContact CG-CH2 4.31Å; R702-W704 HydrophobicContact CG-CZ2 4.11Å; W704-F706 HydrophobicContact CB-CD2 4.15Å; W704-F706 HydrophobicContact CB-CE2 3.59Å; W704-F706 HydrophobicContact CB-CZ 4.38Å; W704-F706 HydrophobicContact CG-CE2 4.49Å |
| 705 | H | 90.1 | Very high | 87.9 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.8 | 174.7 | -63.3 | 11.3 | 0 | 0 | 0 | 110 | R559 E694 Q696 Q703 | R559-H705 HydrophobicContact CB-CB 4.01Å; R559-H705 PolarHBondContact N-O 2.79Å; E694-H705 WeakPolarHBondContact OE1-CB 3.49Å; E694-H705 IonicContact OE1-CD2 2.66Å; E694-H705 PolarHBondContact OE1-CD2 3.45Å; E694-H705 IonicContact OE1-CG 3.12Å; Q696-H705 PolarHBondContact NE2-CE1 2.87Å; Q696-H705 PolarHBondContact NE2-NE2 3.22Å; Q703-H705 PolarHBondContact OE1-CE1 3.5Å |
| 706 | F | 92.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.6 | 178.9 | -71.9 | -80.7 | 0 | 0 | 0 | 109.9 | L556 K558 V574 L582 Y584 I600 E694 F695 L697 W704 | L556-F706 HydrophobicContact CB-CD1 3.81Å; L556-F706 HydrophobicContact CD1-CB 4.25Å; L556-F706 HydrophobicContact CD1-CD1 4.04Å; L556-F706 HydrophobicContact CD1-CG 4.25Å; K558-F706 HydrophobicContact CB-CD1 3.96Å; K558-F706 HydrophobicContact CB-CE1 3.87Å; K558-F706 HydrophobicContact CD-CE1 4.21Å; K558-F706 HydrophobicContact CD-CZ 4.37Å; K558-F706 HydrophobicContact CG-CD1 3.94Å; K558-F706 HydrophobicContact CG-CE1 3.69Å; K558-F706 HydrophobicContact CG-CZ 4.17Å; V574-F706 HydrophobicContact CG2-CE1 4.32Å; L582-F706 HydrophobicContact CD2-CE2 4.31Å; L582-F706 HydrophobicContact CD2-CZ 4.12Å; Y584-F706 HydrophobicContact CD1-CZ 4.4Å; I600-F706 HydrophobicContact CD1-CE2 3.92Å; I600-F706 HydrophobicContact CD1-CZ 4.03Å; E694-F706 CarbonylContact C-O 3.47Å; E694-F706 WeakPolarHBondContact CA-O 3.23Å; F695-F706 HydrophobicContact CD1-CB 4.28Å; F695-F706 HydrophobicContact CE1-CB 3.82Å; F695-F706 HydrophobicContact CE2-CB 4.09Å; F695-F706 HydrophobicContact CE2-CD2 4.45Å; F695-F706 HydrophobicContact CZ-CB 3.74Å; F695-F706 HydrophobicContact CZ-CG 4.42Å; F695-F706 PolarHBondContact N-O 3.27Å; F695-F706 PolarHBondContact O-N 3.15Å; L697-F706 HydrophobicContact CD1-CD2 4.25Å; L697-F706 HydrophobicContact CD1-CE2 3.96Å; L697-F706 HydrophobicContact CG-CD2 4.33Å; L697-F706 HydrophobicContact CG-CE2 4.45Å; W704-F706 HydrophobicContact CB-CD2 4.15Å; W704-F706 HydrophobicContact CB-CE2 3.59Å; W704-F706 HydrophobicContact CB-CZ 4.38Å; W704-F706 HydrophobicContact CG-CE2 4.49Å |
| 707 | E | 90.3 | Very high | 88 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 127.5 | -178.3 | -171.3 | -177.8 | 118.7 | 0 | 0 | 108.3 | Y557 R559 K569 Y693 | Y557-E707 PolarHBondContact N-O 3.5Å; Y557-E707 PolarHBondContact O-N 3.01Å; R559-E707 IonicContact CZ-OE2 3.79Å; R559-E707 VanDerWaalsContact CZ-OE2 3.27Å; R559-E707 IonicContact NE-OE2 3.54Å; R559-E707 PolarHBondContact NE-OE2 3.06Å; R559-E707 IonicContact NH2-OE2 3.54Å; R559-E707 PolarHBondContact NH2-OE2 3.03Å; K569-E707 VanDerWaalsContact CD-OE1 3.31Å; K569-E707 WeakPolarHBondContact CD-OE1 3.45Å; K569-E707 WeakPolarHBondContact CD-OE2 3.02Å; K569-E707 WeakPolarHBondContact CE-OE1 3.2Å; K569-E707 WeakPolarHBondContact CE-OE2 3.39Å; K569-E707 IonicContact NZ-OE1 3.16Å; K569-E707 PolarHBondContact NZ-OE1 2.69Å; K569-E707 IonicContact NZ-OE2 2.7Å; K569-E707 PolarHBondContact NZ-OE2 2.96Å; Y693-E707 WeakPolarHBondContact O-CA 3.36Å |
| 708 | A | 90.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | trans | -88.9 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L556 Y693 G710 E713 R714 | L556-A708 HydrophobicContact CD2-CB 3.95Å; Y693-A708 PolarHBondContact O-N 2.82Å; A708-G710 VanDerWaalsContact C-N 3.28Å; A708-G710 PolarHBondContact O-N 3.49Å; A708-E713 HydrophobicContact CB-CB 4.11Å; A708-E713 HydrophobicContact CB-CG 4.48Å; A708-R714 HydrophobicContact CB-CB 3.98Å | ||
| 709 | T | 85.5 | Confident | 88.2 | Confident | 99 Ų | 99 | 61.5 Ų | 61.5 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -76.1 | -15.1 | 177.1 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | Y557 E713 | Y557-T709 HydrophobicContact CE2-CG2 4.22Å; T709-E713 WeakPolarHBondContact CB-OE2 3.44Å; T709-E713 WeakPolarHBondContact CG2-OE2 3.32Å; T709-E713 PolarHBondContact N-OE2 2.83Å; T709-E713 PolarHBondContact OG1-OE2 3.22Å |
| 710 | G | 85.2 | Confident | 88.5 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -167.6 | 177 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A708 R714 | A708-G710 VanDerWaalsContact C-N 3.28Å; A708-G710 PolarHBondContact O-N 3.49Å; G710-R714 PolarHBondContact O-N 3.34Å |
| 711 | P | 85 | Confident | 89.4 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.6 | -35.4 | -176.7 | 29.8 | -32.3 | 0 | 0 | 0 | 111.8 | Y693 R714 D715 | Y693-P711 HydrophobicContact CD1-CB 4.29Å; Y693-P711 HydrophobicContact CE1-CB 4.46Å; Y693-P711 HydrophobicContact CE1-CG 4.32Å; P711-R714 WeakPolarHBondContact O-CB 3.33Å; P711-R714 PolarHBondContact O-N 3.04Å; P711-D715 PolarHBondContact O-N 3.34Å |
| 712 | D | 86.5 | Confident | 89.9 | Confident | 125 Ų | 125 | 53.1 Ų | 53.1 | 67% | 0.668 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 178.4 | -44.3 | -71.8 | 0 | 0 | 0 | 110.9 | D715 E716 | D712-D715 PolarHBondContact O-N 3.46Å; D712-E716 WeakPolarHBondContact O-CG 3.48Å; D712-E716 PolarHBondContact O-N 2.86Å |
| 713 | E | 89.9 | Confident | 90.1 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.5 | -158.4 | -150.1 | 164.7 | 0 | 0 | 111.2 | A708 T709 D715 E716 W717 | A708-E713 HydrophobicContact CB-CB 4.11Å; A708-E713 HydrophobicContact CB-CG 4.48Å; T709-E713 WeakPolarHBondContact CB-OE2 3.44Å; T709-E713 WeakPolarHBondContact CG2-OE2 3.32Å; T709-E713 PolarHBondContact N-OE2 2.83Å; T709-E713 PolarHBondContact OG1-OE2 3.22Å; E713-D715 PolarHBondContact O-N 3Å; E713-E716 PolarHBondContact O-N 3.15Å; E713-W717 WeakPolarHBondContact O-CB 3.2Å; E713-W717 PolarHBondContact O-N 3.46Å; E713-W717 PolarHBondContact OE1-NE1 3.45Å |
| 714 | R | 90.7 | Very high | 90.2 | Very high | 35 Ų | 35 | 49 Ų | 49 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.1 | -51.7 | 171.7 | 179.5 | -157 | 72 | -169.6 | 1.9 | 110.1 | G692 F695 A708 G710 P711 W717 V718 | G692-R714 PolarHBondContact O-NH1 3.38Å; F695-R714 HydrophobicContact CB-CG 4.39Å; F695-R714 HydrophobicContact CD1-CG 4.04Å; A708-R714 HydrophobicContact CB-CB 3.98Å; G710-R714 PolarHBondContact O-N 3.34Å; P711-R714 WeakPolarHBondContact O-CB 3.33Å; P711-R714 PolarHBondContact O-N 3.04Å; R714-W717 PolarHBondContact O-N 3.47Å; R714-V718 HydrophobicContact CG-CG2 4.47Å; R714-V718 VanDerWaalsContact O-CG2 3.31Å; R714-V718 WeakPolarHBondContact O-CG2 3.02Å; R714-V718 PolarHBondContact O-N 2.91Å |
| 715 | D | 89.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72 | -33.1 | -175.1 | -70.1 | -13.7 | 0 | 0 | 0 | 112.5 | P711 D712 E713 M719 | P711-D715 PolarHBondContact O-N 3.34Å; D712-D715 PolarHBondContact O-N 3.46Å; E713-D715 PolarHBondContact O-N 3Å; D715-M719 WeakPolarHBondContact O-CB 3.15Å; D715-M719 PolarHBondContact O-N 3.36Å |
| 716 | E | 91.6 | Very high | 89.8 | Confident | 94 Ų | 94 | 51.2 Ų | 51.2 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 166.6 | -76.1 | -171 | 174.6 | 0 | 0 | 112.2 | K552 D712 E713 H720 | K552-E716 IonicContact NZ-OE2 2.6Å; K552-E716 PolarHBondContact NZ-OE2 3.34Å; D712-E716 WeakPolarHBondContact O-CG 3.48Å; D712-E716 PolarHBondContact O-N 2.86Å; E713-E716 PolarHBondContact O-N 3.15Å; E716-H720 PolarHBondContact O-N 3Å; E716-H720 PolarHBondContact O-ND1 3.35Å |
| 717 | W | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 178.6 | -85.4 | 109.6 | 0 | 0 | 0 | 111.6 | K552 L556 V574 L576 F695 E713 R714 H720 I721 | K552-W717 HydrophobicContact CB-CE3 4.35Å; K552-W717 HydrophobicContact CB-CH2 4.33Å; K552-W717 HydrophobicContact CB-CZ3 4Å; K552-W717 HydrophobicContact CD-CD2 3.68Å; K552-W717 HydrophobicContact CD-CE3 3.74Å; K552-W717 HydrophobicContact CD-CG 4.1Å; K552-W717 HydrophobicContact CD-CH2 4.48Å; K552-W717 HydrophobicContact CD-CZ2 4.44Å; K552-W717 HydrophobicContact CD-CZ3 4.14Å; K552-W717 HydrophobicContact CG-CD2 4.25Å; K552-W717 HydrophobicContact CG-CE3 4.07Å; K552-W717 HydrophobicContact CG-CH2 3.99Å; K552-W717 HydrophobicContact CG-CZ2 4.16Å; K552-W717 HydrophobicContact CG-CZ3 3.94Å; L556-W717 HydrophobicContact CD1-CD2 3.97Å; L556-W717 HydrophobicContact CD1-CE3 4.28Å; L556-W717 HydrophobicContact CD1-CG 4.3Å; L556-W717 HydrophobicContact CD1-CZ2 4.39Å; L556-W717 HydrophobicContact CD2-CD2 4.46Å; L556-W717 HydrophobicContact CD2-CG 4.18Å; L556-W717 HydrophobicContact CG-CD2 4.41Å; L556-W717 HydrophobicContact CG-CZ2 4.35Å; V574-W717 HydrophobicContact CB-CH2 4.04Å; V574-W717 HydrophobicContact CG1-CH2 4.02Å; V574-W717 HydrophobicContact CG1-CZ3 4.08Å; L576-W717 HydrophobicContact CB-CZ3 4.45Å; F695-W717 HydrophobicContact CE1-CB 4.12Å; F695-W717 HydrophobicContact CZ-CB 3.97Å; E713-W717 WeakPolarHBondContact O-CB 3.2Å; E713-W717 PolarHBondContact O-N 3.46Å; E713-W717 PolarHBondContact OE1-NE1 3.45Å; R714-W717 PolarHBondContact O-N 3.47Å; W717-H720 PolarHBondContact O-N 3.45Å; W717-I721 HydrophobicContact CE3-CD1 4.47Å; W717-I721 WeakPolarHBondContact O-CB 3.35Å; W717-I721 WeakPolarHBondContact O-CD1 3.29Å; W717-I721 WeakPolarHBondContact O-CG1 3.46Å; W717-I721 PolarHBondContact O-N 2.89Å |
| 718 | V | 93.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -51.9 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | V607 I609 F695 R714 H720 I721 E722 | V607-V718 HydrophobicContact CG1-CG1 4.07Å; V607-V718 HydrophobicContact CG1-CG2 3.99Å; I609-V718 HydrophobicContact CD1-CG1 4.39Å; I609-V718 HydrophobicContact CD1-CG2 4.22Å; I609-V718 HydrophobicContact CG1-CG2 4.24Å; F695-V718 HydrophobicContact CB-CG2 4.03Å; F695-V718 HydrophobicContact CD2-CG2 4.32Å; F695-V718 HydrophobicContact CG-CG2 4.09Å; R714-V718 HydrophobicContact CG-CG2 4.47Å; R714-V718 VanDerWaalsContact O-CG2 3.31Å; R714-V718 WeakPolarHBondContact O-CG2 3.02Å; R714-V718 PolarHBondContact O-N 2.91Å; V718-H720 VanDerWaalsContact C-N 3.33Å; V718-H720 PolarHBondContact O-N 2.85Å; V718-I721 PolarHBondContact O-N 3.1Å; V718-I721 VanDerWaalsContact O-N 3.14Å; V718-E722 HydrophobicContact CG1-CG 4.14Å; V718-E722 WeakPolarHBondContact O-CB 3.27Å; V718-E722 WeakPolarHBondContact O-CG 3.11Å; V718-E722 PolarHBondContact O-N 2.9Å |
| 719 | M | 92.2 | Very high | 88.2 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 53% | 0.527 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.1 | -41.6 | 179.8 | 179.6 | -176.3 | 65.9 | 0 | 0 | 112.8 | D715 R723 | D715-M719 WeakPolarHBondContact O-CB 3.15Å; D715-M719 PolarHBondContact O-N 3.36Å; M719-R723 WeakPolarHBondContact O-CB 3.31Å; M719-R723 PolarHBondContact O-N 3.03Å |
| 720 | H | 92.2 | Very high | 87.7 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.2 | -38.4 | 178.8 | -73.7 | 71.2 | 0 | 0 | 0 | 111.9 | K552 L576 E716 W717 V718 R723 A724 | K552-H720 HydrophobicContact CB-CB 4.2Å; K552-H720 HydrophobicContact CD-CB 4.07Å; L576-H720 HydrophobicContact CD2-CB 3.73Å; L576-H720 WeakPolarHBondContact CD2-O 3.29Å; E716-H720 PolarHBondContact O-N 3Å; E716-H720 PolarHBondContact O-ND1 3.35Å; W717-H720 PolarHBondContact O-N 3.45Å; V718-H720 VanDerWaalsContact C-N 3.33Å; V718-H720 PolarHBondContact O-N 2.85Å; H720-R723 PolarHBondContact O-N 2.76Å; H720-A724 WeakPolarHBondContact O-CB 3.26Å; H720-A724 PolarHBondContact O-N 3.15Å |
| 721 | I | 93.5 | Very high | 87 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.6 | -47 | 177.1 | -69.3 | 166.3 | 0 | 0 | 0 | 110.5 | L576 L582 L602 V607 F695 L697 W717 V718 R723 A724 I725 | L576-I721 HydrophobicContact CD1-CG1 4.4Å; L576-I721 HydrophobicContact CD2-CG1 4.22Å; L582-I721 HydrophobicContact CD1-CD1 3.6Å; L582-I721 HydrophobicContact CD1-CG1 3.87Å; L602-I721 HydrophobicContact CD1-CG2 4.02Å; L602-I721 HydrophobicContact CD2-CG2 4.15Å; V607-I721 HydrophobicContact CG2-CB 4.42Å; V607-I721 HydrophobicContact CG2-CG2 3.56Å; F695-I721 HydrophobicContact CE2-CD1 3.72Å; F695-I721 HydrophobicContact CZ-CD1 4.19Å; L697-I721 HydrophobicContact CD2-CD1 4.3Å; L697-I721 HydrophobicContact CD2-CG2 4.05Å; W717-I721 HydrophobicContact CE3-CD1 4.47Å; W717-I721 WeakPolarHBondContact O-CB 3.35Å; W717-I721 WeakPolarHBondContact O-CD1 3.29Å; W717-I721 WeakPolarHBondContact O-CG1 3.46Å; W717-I721 PolarHBondContact O-N 2.89Å; V718-I721 PolarHBondContact O-N 3.1Å; V718-I721 VanDerWaalsContact O-N 3.14Å; I721-R723 VanDerWaalsContact C-N 3.34Å; I721-R723 PolarHBondContact O-N 3.41Å; I721-A724 PolarHBondContact O-N 3.14Å; I721-I725 HydrophobicContact CG2-CD1 3.91Å; I721-I725 VanDerWaalsContact O-CG1 3.3Å; I721-I725 WeakPolarHBondContact O-CG1 3.45Å; I721-I725 PolarHBondContact O-N 3.18Å |
| 722 | E | 91.1 | Very high | 85.9 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 174.1 | -71.3 | -177.8 | 157.7 | 0 | 0 | 111.5 | V607 V718 A724 I725 M726 | V607-E722 HydrophobicContact CG2-CG 4.14Å; V718-E722 HydrophobicContact CG1-CG 4.14Å; V718-E722 WeakPolarHBondContact O-CB 3.27Å; V718-E722 WeakPolarHBondContact O-CG 3.11Å; V718-E722 PolarHBondContact O-N 2.9Å; E722-A724 PolarHBondContact O-N 3.27Å; E722-I725 PolarHBondContact O-N 3.2Å; E722-M726 WeakPolarHBondContact O-CB 3.27Å; E722-M726 WeakPolarHBondContact O-CG 3.35Å; E722-M726 PolarHBondContact O-N 3.26Å |
| 723 | R | 89.9 | Confident | 84.3 | Confident | 174 Ų | 174 | 62.9 Ų | 62.9 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 174.8 | -174 | -178.2 | -177.6 | 99.4 | 3.1 | 112.2 | M719 H720 I721 T727 | M719-R723 WeakPolarHBondContact O-CB 3.31Å; M719-R723 PolarHBondContact O-N 3.03Å; H720-R723 PolarHBondContact O-N 2.76Å; I721-R723 VanDerWaalsContact C-N 3.34Å; I721-R723 PolarHBondContact O-N 3.41Å; R723-T727 WeakPolarHBondContact O-CB 3.34Å; R723-T727 PolarHBondContact O-N 3.02Å; R723-T727 PolarHBondContact O-OG1 3.41Å |
| 724 | A | 88.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L551 L576 A580 H720 I721 E722 T727 R728 | L551-A724 HydrophobicContact CD1-CB 4.23Å; L576-A724 HydrophobicContact CD1-CB 3.99Å; L576-A724 HydrophobicContact CD2-CB 4.24Å; L576-A724 HydrophobicContact CG-CB 4.39Å; A580-A724 HydrophobicContact CB-CB 4.21Å; H720-A724 WeakPolarHBondContact O-CB 3.26Å; H720-A724 PolarHBondContact O-N 3.15Å; I721-A724 PolarHBondContact O-N 3.14Å; E722-A724 PolarHBondContact O-N 3.27Å; A724-T727 PolarHBondContact O-N 2.85Å; A724-R728 WeakPolarHBondContact O-CB 3.39Å; A724-R728 PolarHBondContact O-N 3.42Å |
| 725 | I | 89.2 | Confident | 80 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.138 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -52.4 | 173.9 | -66.5 | 161.4 | 0 | 0 | 0 | 110.5 | L602 T605 V607 I721 E722 T727 R728 L729 | L602-I725 HydrophobicContact CB-CD1 4.34Å; L602-I725 HydrophobicContact CB-CG1 3.76Å; T605-I725 WeakPolarHBondContact O-CD1 3.29Å; V607-I725 HydrophobicContact CG2-CD1 4.22Å; I721-I725 HydrophobicContact CG2-CD1 3.91Å; I721-I725 VanDerWaalsContact O-CG1 3.3Å; I721-I725 WeakPolarHBondContact O-CG1 3.45Å; I721-I725 PolarHBondContact O-N 3.18Å; E722-I725 PolarHBondContact O-N 3.2Å; I725-T727 VanDerWaalsContact C-N 3.35Å; I725-T727 PolarHBondContact O-N 3.2Å; I725-R728 PolarHBondContact O-N 3.13Å; I725-L729 HydrophobicContact CG2-CD1 3.93Å; I725-L729 WeakPolarHBondContact O-CG 3.39Å; I725-L729 PolarHBondContact O-N 3Å |
| 726 | M | 84.4 | Confident | 77.9 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 177.3 | -77.5 | -176.6 | 146.8 | 0 | 0 | 112.1 | V617 E722 R728 L729 Q730 | V617-M726 WeakPolarHBondContact O-CE 3.48Å; E722-M726 WeakPolarHBondContact O-CB 3.27Å; E722-M726 WeakPolarHBondContact O-CG 3.35Å; E722-M726 PolarHBondContact O-N 3.26Å; M726-R728 VanDerWaalsContact C-N 3.31Å; M726-R728 PolarHBondContact O-N 3.42Å; M726-L729 PolarHBondContact O-N 3.43Å; M726-Q730 WeakPolarHBondContact O-CB 3.29Å; M726-Q730 VanDerWaalsContact O-CG 3.31Å; M726-Q730 WeakPolarHBondContact O-CG 3.46Å; M726-Q730 PolarHBondContact O-N 3.08Å |
| 727 | T | 81.1 | Confident | 75.4 | Confident | 48 Ų | 48 | 70 Ų | 70 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | R723 A724 I725 L731 | R723-T727 WeakPolarHBondContact O-CB 3.34Å; R723-T727 PolarHBondContact O-N 3.02Å; R723-T727 PolarHBondContact O-OG1 3.41Å; A724-T727 PolarHBondContact O-N 2.85Å; I725-T727 VanDerWaalsContact C-N 3.35Å; I725-T727 PolarHBondContact O-N 3.2Å; T727-L731 HydrophobicContact CG2-CD1 3.93Å; T727-L731 HydrophobicContact CG2-CG 4.31Å; T727-L731 WeakPolarHBondContact O-CB 3.39Å; T727-L731 WeakPolarHBondContact O-CG 3.35Å; T727-L731 PolarHBondContact O-N 3.06Å |
| 728 | R | 79.7 | Confident | 72.9 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71 | -36.8 | 177.7 | -167.5 | 62.4 | 174.9 | 132.5 | 2.4 | 112.8 | A580 A724 I725 M726 L731 N732 | A580-R728 HydrophobicContact CB-CB 3.67Å; A580-R728 HydrophobicContact CB-CG 4Å; A724-R728 WeakPolarHBondContact O-CB 3.39Å; A724-R728 PolarHBondContact O-N 3.42Å; I725-R728 PolarHBondContact O-N 3.13Å; M726-R728 VanDerWaalsContact C-N 3.31Å; M726-R728 PolarHBondContact O-N 3.42Å; R728-L731 PolarHBondContact O-N 2.88Å; R728-N732 PolarHBondContact NH1-OD1 3.47Å; R728-N732 PolarHBondContact O-N 3.24Å; R728-N732 PolarHBondContact O-ND2 2.9Å; R728-N732 PolarHBondContact O-OD1 3.21Å |
| 729 | L | 78.4 | Confident | 70.4 | Confident | 78 Ų | 78 | 81 Ų | 81 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -50.6 | 172.2 | -68.3 | 168.7 | 0 | 0 | 0 | 110.8 | I725 M726 L731 N732 E733 | I725-L729 HydrophobicContact CG2-CD1 3.93Å; I725-L729 WeakPolarHBondContact O-CG 3.39Å; I725-L729 PolarHBondContact O-N 3Å; M726-L729 PolarHBondContact O-N 3.43Å; L729-L731 VanDerWaalsContact C-N 3.3Å; L729-L731 PolarHBondContact O-N 3.06Å; L729-N732 WeakPolarHBondContact O-CB 3.35Å; L729-N732 PolarHBondContact O-N 3.07Å; L729-E733 PolarHBondContact O-N 3.33Å |
| 730 | Q | 75.9 | Confident | 67.9 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 175.6 | -72.1 | 174.7 | -9 | 0 | 0 | 112.8 | M726 E733 S734 | M726-Q730 WeakPolarHBondContact O-CB 3.29Å; M726-Q730 VanDerWaalsContact O-CG 3.31Å; M726-Q730 WeakPolarHBondContact O-CG 3.46Å; M726-Q730 PolarHBondContact O-N 3.08Å; Q730-E733 PolarHBondContact O-N 3.29Å; Q730-S734 VanDerWaalsContact O-CB 3.3Å; Q730-S734 WeakPolarHBondContact O-CB 3.39Å; Q730-S734 PolarHBondContact O-N 2.98Å; Q730-S734 PolarHBondContact O-OG 3.29Å |
| 731 | L | 69.3 | Low | 65.5 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 39% | 0.387 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.3 | -27.6 | 173.1 | -78 | 174.6 | 0 | 0 | 0 | 112.5 | T727 R728 L729 S734 S735 | T727-L731 HydrophobicContact CG2-CD1 3.93Å; T727-L731 HydrophobicContact CG2-CG 4.31Å; T727-L731 WeakPolarHBondContact O-CB 3.39Å; T727-L731 WeakPolarHBondContact O-CG 3.35Å; T727-L731 PolarHBondContact O-N 3.06Å; R728-L731 PolarHBondContact O-N 2.88Å; L729-L731 VanDerWaalsContact C-N 3.3Å; L729-L731 PolarHBondContact O-N 3.06Å; L731-S734 WeakPolarHBondContact CA-OG 3.37Å; L731-S735 WeakPolarHBondContact O-CA 3.3Å; L731-S735 WeakPolarHBondContact O-CB 3.25Å; L731-S735 PolarHBondContact O-N 2.7Å; L731-S735 PolarHBondContact O-OG 3.01Å |
| 732 | N | 62.9 | Low | 63 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.6 | -36.9 | 172 | -69.9 | -14.4 | 0 | 0 | 0 | 111.3 | R728 L729 K736 L852 | R728-N732 PolarHBondContact NH1-OD1 3.47Å; R728-N732 PolarHBondContact O-N 3.24Å; R728-N732 PolarHBondContact O-ND2 2.9Å; R728-N732 PolarHBondContact O-OD1 3.21Å; L729-N732 WeakPolarHBondContact O-CB 3.35Å; L729-N732 PolarHBondContact O-N 3.07Å; N732-K736 WeakPolarHBondContact O-CG 3.17Å; N732-L852 HydrophobicContact CB-CD2 4.25Å |
| 733 | E | 51.4 | Low | 60.7 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68 | -50.6 | 172.6 | -67.1 | 172.4 | 162.4 | 0 | 0 | 111.9 | L729 Q730 K736 R737 L852 | L729-E733 PolarHBondContact O-N 3.33Å; Q730-E733 PolarHBondContact O-N 3.29Å; E733-K736 PolarHBondContact O-N 2.98Å; E733-K736 VanDerWaalsContact O-N 3.15Å; E733-R737 PolarHBondContact O-N 3.15Å; E733-L852 HydrophobicContact CG-CD2 4.03Å |
| 734 | S | 46 | Very low | 58.4 | Low | 47 Ų | 47 | 83.1 Ų | 83.1 | 33% | 0.329 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.9 | -27.7 | -178.7 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | Q730 L731 K736 R737 T738 | Q730-S734 VanDerWaalsContact O-CB 3.3Å; Q730-S734 WeakPolarHBondContact O-CB 3.39Å; Q730-S734 PolarHBondContact O-N 2.98Å; Q730-S734 PolarHBondContact O-OG 3.29Å; L731-S734 WeakPolarHBondContact CA-OG 3.37Å; S734-K736 PolarHBondContact O-N 3.18Å; S734-R737 PolarHBondContact O-N 3.01Å; S734-T738 WeakPolarHBondContact O-CA 3.34Å; S734-T738 WeakPolarHBondContact O-CB 3.28Å; S734-T738 PolarHBondContact O-N 3.21Å; S734-T738 PolarHBondContact O-OG1 3.34Å |
| 735 | S | 46.3 | Very low | 55.6 | Low | 45 Ų | 45 | 86 Ų | 86 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -22 | 168.1 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | L731 R739 | L731-S735 WeakPolarHBondContact O-CA 3.3Å; L731-S735 WeakPolarHBondContact O-CB 3.25Å; L731-S735 PolarHBondContact O-N 2.7Å; L731-S735 PolarHBondContact O-OG 3.01Å; S735-R739 WeakPolarHBondContact O-CB 3.47Å; S735-R739 WeakPolarHBondContact O-CD 3.41Å; S735-R739 WeakPolarHBondContact O-CG 3.46Å; S735-R739 PolarHBondContact O-NE 2.87Å |
| 736 | K | 45.3 | Very low | 52.8 | Low | 102 Ų | 102 | 90.6 Ų | 90.6 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -88.4 | -51.1 | 172.8 | -65.9 | -175 | -178.9 | -163.9 | 0 | 110.8 | N732 E733 S734 T738 R739 A740 H851 | N732-K736 WeakPolarHBondContact O-CG 3.17Å; E733-K736 PolarHBondContact O-N 2.98Å; E733-K736 VanDerWaalsContact O-N 3.15Å; S734-K736 PolarHBondContact O-N 3.18Å; K736-T738 PolarHBondContact O-N 3.4Å; K736-R739 PolarHBondContact O-N 2.82Å; K736-A740 PolarHBondContact O-N 3.35Å; K736-H851 WeakPolarHBondContact CD-O 3.45Å; K736-H851 WeakPolarHBondContact CE-O 3.45Å; K736-H851 PolarHBondContact NZ-O 3.45Å |
| 737 | R | 38.9 | Very low | 50.3 | Low | 194 Ų | 194 | 93.3 Ų | 93.3 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 176.5 | -84.4 | -168.9 | 172.6 | -150.5 | -1.8 | 114.1 | E733 S734 R739 A740 I741 | E733-R737 PolarHBondContact O-N 3.15Å; S734-R737 PolarHBondContact O-N 3.01Å; R737-R739 VanDerWaalsContact C-N 3.33Å; R737-R739 PolarHBondContact O-N 3.25Å; R737-A740 PolarHBondContact O-N 2.83Å; R737-I741 WeakPolarHBondContact O-CB 3.11Å; R737-I741 VanDerWaalsContact O-CG1 3.29Å; R737-I741 WeakPolarHBondContact O-CG1 3.35Å; R737-I741 PolarHBondContact O-N 2.86Å |
| 738 | T | 41.3 | Very low | 48.2 | Very low | 89 Ų | 89 | 97.7 Ų | 97.7 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.5 | -27.1 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | S734 K736 A742 | S734-T738 WeakPolarHBondContact O-CA 3.34Å; S734-T738 WeakPolarHBondContact O-CB 3.28Å; S734-T738 PolarHBondContact O-N 3.21Å; S734-T738 PolarHBondContact O-OG1 3.34Å; K736-T738 PolarHBondContact O-N 3.4Å; T738-A742 WeakPolarHBondContact O-CB 3.48Å; T738-A742 PolarHBondContact O-N 3.32Å |
| 739 | R | 40.9 | Very low | 45.8 | Very low | 149 Ų | 149 | 97.5 Ų | 97.5 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.2 | -43.1 | 169 | -72.9 | 177.8 | -158.3 | -158.9 | 4.6 | 111.5 | S735 K736 R737 I741 A743 | S735-R739 WeakPolarHBondContact O-CB 3.47Å; S735-R739 WeakPolarHBondContact O-CD 3.41Å; S735-R739 WeakPolarHBondContact O-CG 3.46Å; S735-R739 PolarHBondContact O-NE 2.87Å; K736-R739 PolarHBondContact O-N 2.82Å; R737-R739 VanDerWaalsContact C-N 3.33Å; R737-R739 PolarHBondContact O-N 3.25Å; R739-I741 PolarHBondContact O-N 3.06Å; R739-A743 WeakPolarHBondContact O-CB 3.26Å; R739-A743 PolarHBondContact O-N 3.39Å |
| 740 | A | 38.9 | Very low | 43.8 | Very low | 59 Ų | 59 | 100.7 Ų | 100.7 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.3 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | K736 R737 T744 | K736-A740 PolarHBondContact O-N 3.35Å; R737-A740 PolarHBondContact O-N 2.83Å; A740-T744 PolarHBondContact O-OG1 3.24Å |
| 741 | I | 42.9 | Very low | 41.6 | Very low | 111 Ų | 111 | 98.9 Ų | 98.9 | 57% | 0.569 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.2 | -38.5 | 179.6 | -65.9 | 165.2 | 0 | 0 | 0 | 111.7 | R737 R739 A743 T744 G745 | R737-I741 WeakPolarHBondContact O-CB 3.11Å; R737-I741 VanDerWaalsContact O-CG1 3.29Å; R737-I741 WeakPolarHBondContact O-CG1 3.35Å; R737-I741 PolarHBondContact O-N 2.86Å; R739-I741 PolarHBondContact O-N 3.06Å; I741-A743 VanDerWaalsContact C-N 3.28Å; I741-A743 PolarHBondContact O-N 2.95Å; I741-T744 WeakPolarHBondContact CA-OG1 3.36Å; I741-T744 PolarHBondContact O-N 3.05Å; I741-T744 PolarHBondContact O-OG1 3.4Å; I741-G745 PolarHBondContact O-N 2.88Å |
| 742 | A | 40.6 | Very low | 39.8 | Very low | 76 Ų | 76 | 98.8 Ų | 98.8 | 63% | 0.628 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.5 | -29.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T738 T744 | T738-A742 WeakPolarHBondContact O-CB 3.48Å; T738-A742 PolarHBondContact O-N 3.32Å; A742-T744 VanDerWaalsContact C-N 3.26Å; A742-T744 PolarHBondContact O-N 2.94Å |
| 743 | A | 42.2 | Very low | 38.4 | Very low | 86 Ų | 86 | 102.4 Ų | 102.4 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -12.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R739 I741 | R739-A743 WeakPolarHBondContact O-CB 3.26Å; R739-A743 PolarHBondContact O-N 3.39Å; I741-A743 VanDerWaalsContact C-N 3.28Å; I741-A743 PolarHBondContact O-N 2.95Å |
| 744 | T | 42.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 103.6 Ų | 103.6 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -0.9 | -176.2 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | A740 I741 A742 | A740-T744 PolarHBondContact O-OG1 3.24Å; I741-T744 WeakPolarHBondContact CA-OG1 3.36Å; I741-T744 PolarHBondContact O-N 3.05Å; I741-T744 PolarHBondContact O-OG1 3.4Å; A742-T744 VanDerWaalsContact C-N 3.26Å; A742-T744 PolarHBondContact O-N 2.94Å |
| 745 | G | 30.2 | Very low | 37 | Very low | 62 Ų | 62 | 104.7 Ų | 104.7 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | trans | -108.9 | 51.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | I741 | I741-G745 PolarHBondContact O-N 2.88Š| ||
| 746 | C | 30 | Very low | 36.5 | Very low | 122 Ų | 122 | 107.8 Ų | 107.8 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -146.6 | 59.1 | -179 | -153.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 747 | T | 32.3 | Very low | 36 | Very low | 142 Ų | 142 | 110.2 Ų | 110.2 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | trans | -135 | 107.4 | 156.7 | 53 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 748 | T | 35.6 | Very low | 35.8 | Very low | 140 Ų | 140 | 108.4 Ų | 108.4 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | trans | -72.5 | 133.7 | 176.5 | 48 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 749 | G | 29.6 | Very low | 35.5 | Very low | 81 Ų | 81 | 111 Ų | 111 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -83.9 | 116.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 750 | V | 37.5 | Very low | 35.3 | Very low | 144 Ų | 144 | 108.7 Ų | 108.7 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | trans | -142.4 | 139.9 | 149.8 | -165.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 751 | G | 29.3 | Very low | 34.9 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -83 | 158.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 752 | G | 31.9 | Very low | 34.6 | Very low | 72 Ų | 72 | 115.3 Ų | 115.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 177.7 | 76.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 753 | T | 32 | Very low | 34.4 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 13.4 | 126.4 | 153.8 | 54.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 754 | S | 36 | Very low | 34 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 75.4 | 128.1 | 137.3 | -55.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 755 | G | 31.6 | Very low | 33.7 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | 123.5 | 90.6 | 127.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 756 | S | 37.8 | Very low | 33.8 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 55.3 | 116.7 | 137.2 | -54.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 757 | N | 34.2 | Very low | 34.1 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 42.9 | 138.6 | 125.9 | -51 | -16.2 | 0 | 0 | 0 | 121.7 | |||||
| 758 | H | 35.5 | Very low | 34.2 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 155.2 | 105.2 | 98.3 | -168.2 | -95.4 | 0 | 0 | 0 | 115.6 | |||||
| 759 | L | 33.4 | Very low | 34.2 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | trans | 60.6 | 168 | 152.8 | -88.2 | 67.8 | 0 | 0 | 0 | 119 | ||||
| 760 | S | 36.4 | Very low | 34.4 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | cis | -161 | 159.6 | -15.2 | 44.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 761 | N | 30.7 | Very low | 34.4 | Very low | 162 Ų | 162 | 121.3 Ų | 121.3 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -65.1 | 147 | 172 | -80.3 | -19.3 | 0 | 0 | 0 | 114.4 | ||||
| 762 | V | 38.1 | Very low | 34.6 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -138.6 | 144.3 | 147.9 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 763 | S | 34.8 | Very low | 34.6 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -126.8 | 157.3 | -175.4 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 764 | G | 34.6 | Very low | 34.6 | Very low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | trans | 157.2 | 128.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 765 | L | 36.5 | Very low | 34.7 | Very low | 189 Ų | 189 | 127.7 Ų | 127.7 | 99% | 0.99 | 81% | 0.813 | S | S | * | * | trans | 66.8 | 150.8 | 145.9 | -49.9 | 168.9 | 0 | 0 | 0 | 117.7 | ||||
| 766 | G | 33.1 | Very low | 34.7 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | cis | -173 | 168.3 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 767 | S | 34.4 | Very low | 34.4 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -53 | 151.6 | -169 | -47.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 768 | G | 35.8 | Very low | 34.5 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -171 | 123.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 769 | S | 35.5 | Very low | 34.3 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -115.3 | 139.9 | -175.7 | -53.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 770 | G | 34.2 | Very low | 34.2 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -171.4 | 81.9 | -178 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 771 | R | 36.4 | Very low | 34 | Very low | 238 Ų | 238 | 129 Ų | 129 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | 43.2 | 125 | 142.7 | -60.8 | -179 | 178.3 | -173.1 | -1.4 | 122 | ||||
| 772 | H | 33.2 | Very low | 34.2 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 46.1 | 127.5 | 141.2 | -70.4 | -81.1 | 0 | 0 | 0 | 121.7 | ||||
| 773 | G | 33.7 | Very low | 33.9 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 174.1 | 93.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S775 | G773-S775 PolarHBondContact O-N 3.42Š| ||
| 774 | D | 30.8 | Very low | 33.9 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -69.2 | 119.7 | 172.9 | -64.5 | -69.8 | 0 | 0 | 0 | 110.4 | ||||
| 775 | S | 38.1 | Very low | 34 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -156.2 | 99.2 | 172.3 | -77.4 | 0 | 0 | 0 | 0 | 110.2 | G773 | G773-S775 PolarHBondContact O-N 3.42Š| ||
| 776 | N | 31 | Very low | 34.1 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -89.3 | 151.7 | 173.9 | -144.6 | -16.7 | 0 | 0 | 0 | 109.6 | ||||
| 777 | S | 32 | Very low | 34.8 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 72.1 | 112.6 | -172.4 | -165.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 778 | L | 37.3 | Very low | 35.5 | Very low | 145 Ų | 145 | 120.4 Ų | 120.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | -175.3 | 131.7 | 112.2 | -97.4 | 167.1 | 0 | 0 | 0 | 113.2 | |||||
| 779 | N | 31.1 | Very low | 36.3 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 42.2 | 106.7 | 148.4 | -67.2 | -10 | 0 | 0 | 0 | 122.5 | ||||
| 780 | S | 31.4 | Very low | 37.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | 87.4 | 149.6 | 115.1 | 80.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 781 | S | 31.3 | Very low | 38.8 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | 66.1 | 54.6 | 145.2 | -54.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 782 | R | 36 | Very low | 40.1 | Very low | 236 Ų | 236 | 114.8 Ų | 114.8 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | trans | -130.7 | 79.2 | 162 | -74.3 | -165.7 | 173.4 | -172.2 | -1.9 | 114.9 | ||||
| 783 | C | 30.9 | Very low | 41.7 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 75% | 0.75 | 68% | 0.678 | S | S | * | * | trans | 37.3 | 94.7 | 131.7 | 60.9 | 0 | 0 | 0 | 0 | 120.6 | A785 | C783-A785 VanDerWaalsContact C-N 3.3Å; C783-A785 PolarHBondContact O-N 2.9Å | ||
| 784 | G | 34.7 | Very low | 43.6 | Very low | 67 Ų | 67 | 109 Ų | 109 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | S | Bend | 68.3 | -10 | 121.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||
| 785 | A | 36.7 | Very low | 45.9 | Very low | 81 Ų | 81 | 106.3 Ų | 106.3 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -88.5 | -22.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C783 | C783-A785 VanDerWaalsContact C-N 3.3Å; C783-A785 PolarHBondContact O-N 2.9Å |
| 786 | G | 38.6 | Very low | 48 | Very low | 49 Ų | 49 | 107.1 Ų | 107.1 | 51% | 0.505 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.6 | -53.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A788 N789 E790 | G786-A788 PolarHBondContact O-N 3.09Å; G786-A788 VanDerWaalsContact O-N 3.12Å; G786-N789 PolarHBondContact O-N 3.44Å; G786-E790 PolarHBondContact O-N 2.83Å |
| 787 | D | 47.5 | Very low | 50.5 | Low | 96 Ų | 96 | 100.9 Ų | 100.9 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -51.4 | -38.8 | -175.6 | -55.1 | 38.1 | 0 | 0 | 0 | 112.8 | N789 E790 L791 | D787-N789 PolarHBondContact O-N 2.71Å; D787-E790 PolarHBondContact O-N 2.8Å; D787-L791 WeakPolarHBondContact O-CB 3.3Å; D787-L791 WeakPolarHBondContact O-CD1 3.23Å; D787-L791 VanDerWaalsContact O-CG 3.26Å; D787-L791 WeakPolarHBondContact O-CG 3.43Å; D787-L791 PolarHBondContact O-N 3.29Å |
| 788 | A | 50.4 | Low | 53.1 | Low | 65 Ų | 65 | 96.4 Ų | 96.4 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.8 | -36.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G786 A792 | G786-A788 PolarHBondContact O-N 3.09Å; G786-A788 VanDerWaalsContact O-N 3.12Å; A788-A792 WeakPolarHBondContact O-CB 3.48Å; A788-A792 PolarHBondContact O-N 2.98Å |
| 789 | N | 52.4 | Low | 55.4 | Low | 114 Ų | 114 | 94.8 Ų | 94.8 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.5 | -39.4 | 177.8 | -171.7 | 66.5 | 0 | 0 | 0 | 111.3 | G786 D787 A792 V793 | G786-N789 PolarHBondContact O-N 3.44Å; D787-N789 PolarHBondContact O-N 2.71Å; N789-A792 PolarHBondContact O-N 3.21Å; N789-V793 WeakPolarHBondContact O-CG2 3.47Å; N789-V793 PolarHBondContact O-N 3.26Å |
| 790 | E | 60.2 | Low | 58.2 | Low | 143 Ų | 143 | 90.2 Ų | 90.2 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.6 | -40.2 | 176.3 | -167.9 | 176.4 | 163.4 | 0 | 0 | 111.9 | G786 D787 T794 | G786-E790 PolarHBondContact O-N 2.83Å; D787-E790 PolarHBondContact O-N 2.8Å; E790-T794 WeakPolarHBondContact O-CB 3.43Å; E790-T794 PolarHBondContact O-N 2.7Å; E790-T794 PolarHBondContact O-OG1 3.11Å |
| 791 | L | 60.5 | Low | 61.1 | Low | 86 Ų | 86 | 85.5 Ų | 85.5 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 172.1 | -75.2 | 165.9 | 0 | 0 | 0 | 112.1 | D787 T794 E795 | D787-L791 WeakPolarHBondContact O-CB 3.3Å; D787-L791 WeakPolarHBondContact O-CD1 3.23Å; D787-L791 VanDerWaalsContact O-CG 3.26Å; D787-L791 WeakPolarHBondContact O-CG 3.43Å; D787-L791 PolarHBondContact O-N 3.29Å; L791-T794 PolarHBondContact O-N 3.3Å; L791-E795 PolarHBondContact O-N 3.49Å |
| 792 | A | 63.8 | Low | 64 | Low | 58 Ų | 58 | 82.2 Ų | 82.2 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A788 N789 H796 | A788-A792 WeakPolarHBondContact O-CB 3.48Å; A788-A792 PolarHBondContact O-N 2.98Å; N789-A792 PolarHBondContact O-N 3.21Å; A792-H796 WeakPolarHBondContact O-CB 3.49Å; A792-H796 PolarHBondContact O-N 2.93Å |
| 793 | V | 67.5 | Low | 66.7 | Low | 75 Ų | 75 | 75.2 Ų | 75.2 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 172.3 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | N789 E795 H796 L797 | N789-V793 WeakPolarHBondContact O-CG2 3.47Å; N789-V793 PolarHBondContact O-N 3.26Å; V793-E795 PolarHBondContact O-N 3.09Å; V793-H796 PolarHBondContact O-N 3.13Å; V793-L797 HydrophobicContact CG1-CD1 4.06Å; V793-L797 VanDerWaalsContact O-CG 3.31Å; V793-L797 WeakPolarHBondContact O-CG 3.27Å; V793-L797 PolarHBondContact O-N 2.92Å |
| 794 | T | 74.3 | Confident | 69.6 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 178 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | E790 L791 H796 L797 I798 | E790-T794 WeakPolarHBondContact O-CB 3.43Å; E790-T794 PolarHBondContact O-N 2.7Å; E790-T794 PolarHBondContact O-OG1 3.11Å; L791-T794 PolarHBondContact O-N 3.3Å; T794-H796 PolarHBondContact O-N 2.82Å; T794-L797 PolarHBondContact O-N 3.32Å; T794-I798 HydrophobicContact CG2-CD1 4Å; T794-I798 WeakPolarHBondContact O-CG1 3.36Å; T794-I798 PolarHBondContact O-N 2.9Å |
| 795 | E | 78.3 | Confident | 72.4 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 179.1 | -164.2 | 64.3 | -157.8 | 0 | 0 | 111.8 | L791 V793 L797 I798 Q799 | L791-E795 PolarHBondContact O-N 3.49Å; V793-E795 PolarHBondContact O-N 3.09Å; E795-L797 VanDerWaalsContact C-N 3.35Å; E795-L797 PolarHBondContact O-N 2.93Å; E795-I798 PolarHBondContact O-N 2.93Å; E795-Q799 WeakPolarHBondContact O-CB 3.42Å; E795-Q799 PolarHBondContact O-N 3.23Å |
| 796 | H | 81.4 | Confident | 75.1 | Confident | 138 Ų | 138 | 67.3 Ų | 67.3 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 175.1 | -177.6 | -82.5 | 0 | 0 | 0 | 112.4 | A792 V793 T794 S800 | A792-H796 WeakPolarHBondContact O-CB 3.49Å; A792-H796 PolarHBondContact O-N 2.93Å; V793-H796 PolarHBondContact O-N 3.13Å; T794-H796 PolarHBondContact O-N 2.82Å; H796-S800 PolarHBondContact O-N 3.18Å |
| 797 | L | 84.8 | Confident | 77.8 | Confident | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 174.7 | -66.7 | 170.5 | 0 | 0 | 0 | 111.6 | V793 T794 E795 S800 I801 V860 | V793-L797 HydrophobicContact CG1-CD1 4.06Å; V793-L797 VanDerWaalsContact O-CG 3.31Å; V793-L797 WeakPolarHBondContact O-CG 3.27Å; V793-L797 PolarHBondContact O-N 2.92Å; T794-L797 PolarHBondContact O-N 3.32Å; E795-L797 VanDerWaalsContact C-N 3.35Å; E795-L797 PolarHBondContact O-N 2.93Å; L797-S800 WeakPolarHBondContact O-CB 3.49Å; L797-S800 PolarHBondContact O-N 3.34Å; L797-I801 PolarHBondContact O-N 3.38Å; L797-I801 VanDerWaalsContact O-N 3.11Å; L797-V860 HydrophobicContact CB-CG1 4.46Å; L797-V860 HydrophobicContact CB-CG2 4.1Å; L797-V860 HydrophobicContact CD2-CB 4.39Å; L797-V860 HydrophobicContact CD2-CG1 3.99Å; L797-V860 HydrophobicContact CD2-CG2 4.15Å; L797-V860 HydrophobicContact CG-CG2 4.49Å |
| 798 | I | 85.4 | Confident | 80 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -45 | 174.6 | -70.5 | 167.9 | 0 | 0 | 0 | 110.7 | T794 E795 S800 I801 R802 L850 | T794-I798 HydrophobicContact CG2-CD1 4Å; T794-I798 WeakPolarHBondContact O-CG1 3.36Å; T794-I798 PolarHBondContact O-N 2.9Å; E795-I798 PolarHBondContact O-N 2.93Å; I798-S800 VanDerWaalsContact C-N 3.31Å; I798-S800 PolarHBondContact O-N 3.42Å; I798-I801 PolarHBondContact O-N 3.28Å; I798-I801 VanDerWaalsContact O-N 3.16Å; I798-R802 PolarHBondContact O-N 2.86Å; I798-L850 WeakPolarHBondContact CD1-O 3.3Å; I798-L850 HydrophobicContact CG1-CB 4.38Å; I798-L850 HydrophobicContact CG1-CD2 4.48Å; I798-L850 HydrophobicContact CG2-CB 4.4Å; I798-L850 HydrophobicContact CG2-CD1 4.21Å; I798-L850 HydrophobicContact CG2-CD2 4.49Å |
| 799 | Q | 86.8 | Confident | 82.2 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 177.6 | -171.6 | 59.1 | 27.5 | 0 | 0 | 112.1 | E795 R802 S803 | E795-Q799 WeakPolarHBondContact O-CB 3.42Å; E795-Q799 PolarHBondContact O-N 3.23Å; Q799-R802 PolarHBondContact O-N 2.93Å; Q799-S803 WeakPolarHBondContact O-CB 3.32Å; Q799-S803 PolarHBondContact O-N 3.3Å |
| 800 | S | 89.2 | Confident | 84.3 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 171.3 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | H796 L797 I798 S803 S864 | H796-S800 PolarHBondContact O-N 3.18Å; L797-S800 WeakPolarHBondContact O-CB 3.49Å; L797-S800 PolarHBondContact O-N 3.34Å; I798-S800 VanDerWaalsContact C-N 3.31Å; I798-S800 PolarHBondContact O-N 3.42Å; S800-S803 PolarHBondContact O-N 3.1Å; S800-S803 PolarHBondContact O-OG 3.23Å; S800-S864 PolarHBondContact O-OG 3.43Å; S800-S864 PolarHBondContact OG-OG 3.12Å |
| 801 | I | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 176.3 | -63.6 | 169.9 | 0 | 0 | 0 | 111.1 | L797 I798 S803 A804 N807 M828 L850 W855 V860 M863 | L797-I801 PolarHBondContact O-N 3.38Å; L797-I801 VanDerWaalsContact O-N 3.11Å; I798-I801 PolarHBondContact O-N 3.28Å; I798-I801 VanDerWaalsContact O-N 3.16Å; I801-S803 VanDerWaalsContact C-N 3.26Å; I801-S803 PolarHBondContact O-N 2.87Å; I801-A804 PolarHBondContact O-N 2.89Å; I801-N807 PolarHBondContact O-ND2 3.12Å; I801-M828 HydrophobicContact CG2-CG 4.24Å; I801-M828 HydrophobicContact CG2-SD 3.66Å; I801-L850 HydrophobicContact CB-CD2 4.15Å; I801-L850 HydrophobicContact CD1-CD2 3.61Å; I801-L850 HydrophobicContact CG1-CD2 4.49Å; I801-L850 HydrophobicContact CG2-CD2 3.98Å; I801-W855 HydrophobicContact CD1-CD2 4.05Å; I801-W855 HydrophobicContact CD1-CE3 3.64Å; I801-W855 HydrophobicContact CD1-CH2 3.84Å; I801-W855 HydrophobicContact CD1-CZ2 4.25Å; I801-W855 HydrophobicContact CD1-CZ3 3.54Å; I801-V860 HydrophobicContact CD1-CG2 4.21Å; I801-V860 HydrophobicContact CG1-CG1 4.1Å; I801-M863 HydrophobicContact CD1-CB 4.34Å; I801-M863 HydrophobicContact CG1-CB 3.93Å; I801-M863 HydrophobicContact CG2-CB 4.01Å; I801-M863 HydrophobicContact CG2-CE 4.24Å |
| 802 | R | 92 | Very high | 87.8 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.8 | -31.9 | 179 | -68.3 | -166 | -170.2 | -75.6 | 5.3 | 112.8 | I798 Q799 A804 P818 D819 L850 H851 | I798-R802 PolarHBondContact O-N 2.86Å; Q799-R802 PolarHBondContact O-N 2.93Å; R802-A804 PolarHBondContact O-N 3.1Å; R802-P818 PolarHBondContact NH1-O 3.05Å; R802-D819 IonicContact CZ-OD1 3.66Å; R802-D819 IonicContact NH1-OD1 3.76Å; R802-D819 IonicContact NH2-OD1 2.68Å; R802-D819 PolarHBondContact NH2-OD1 2.73Å; R802-L850 HydrophobicContact CG-CD1 4.42Å; R802-H851 PolarHBondContact NH2-NE2 2.93Å |
| 803 | S | 91.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.2 | -178.4 | 73.8 | 0 | 0 | 0 | 0 | 115.7 | Q799 S800 I801 | Q799-S803 WeakPolarHBondContact O-CB 3.32Å; Q799-S803 PolarHBondContact O-N 3.3Å; S800-S803 PolarHBondContact O-N 3.1Å; S800-S803 PolarHBondContact O-OG 3.23Å; I801-S803 VanDerWaalsContact C-N 3.26Å; I801-S803 PolarHBondContact O-N 2.87Å |
| 804 | A | 92.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -77.5 | 143.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I801 R802 G806 N807 | I801-A804 PolarHBondContact O-N 2.89Å; R802-A804 PolarHBondContact O-N 3.1Å; A804-G806 PolarHBondContact O-N 3.09Å; A804-N807 VanDerWaalsContact O-CB 3.3Å; A804-N807 WeakPolarHBondContact O-CB 3.48Å; A804-N807 PolarHBondContact O-N 3.2Å; A804-N807 VanDerWaalsContact O-N 3.08Å |
| 805 | A | 93.5 | Very high | 91.5 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 123.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N807 N868 T869 | A805-N807 VanDerWaalsContact C-N 3.34Å; A805-N868 PolarHBondContact O-N 3.42Å; A805-T869 VanDerWaalsContact C-OG1 3.3Å; A805-T869 WeakPolarHBondContact O-CB 3.4Å; A805-T869 PolarHBondContact O-N 3.23Å; A805-T869 PolarHBondContact O-OG1 3.29Å |
| 806 | G | 92.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -1.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | A804 D808 F809 N868 T869 | A804-G806 PolarHBondContact O-N 3.09Å; G806-D808 PolarHBondContact O-N 3.34Å; G806-F809 PolarHBondContact O-N 3Å; G806-F809 VanDerWaalsContact O-O 3.08Å; G806-N868 WeakPolarHBondContact O-CB 3.29Å; G806-N868 PolarHBondContact O-ND2 2.92Å; G806-T869 PolarHBondContact N-OG1 2.86Å |
| 807 | N | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -6.9 | 179.5 | -76 | -3.4 | 0 | 0 | 0 | 113.9 | I801 A804 A805 F809 P818 M828 G867 N868 | I801-N807 PolarHBondContact O-ND2 3.12Å; A804-N807 VanDerWaalsContact O-CB 3.3Å; A804-N807 WeakPolarHBondContact O-CB 3.48Å; A804-N807 PolarHBondContact O-N 3.2Å; A804-N807 VanDerWaalsContact O-N 3.08Å; A805-N807 VanDerWaalsContact C-N 3.34Å; N807-F809 PolarHBondContact O-N 2.83Å; N807-P818 WeakPolarHBondContact O-CD 3.47Å; N807-P818 WeakPolarHBondContact O-CG 3.29Å; N807-M828 HydrophobicContact CB-CB 4.29Å; N807-M828 HydrophobicContact CB-CG 3.82Å; N807-M828 VanDerWaalsContact CG-CG 3.42Å; N807-G867 VanDerWaalsContact OD1-CA 3.31Å; N807-G867 WeakPolarHBondContact OD1-CA 3.3Å; N807-N868 PolarHBondContact OD1-N 3.22Å |
| 808 | D | 93.5 | Very high | 93.2 | Very high | 95 Ų | 95 | 42.3 Ų | 42.3 | 51% | 0.508 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.5 | 169.7 | -47.8 | -74.8 | 0 | 0 | 0 | 113.3 | G806 P816 E817 P818 | G806-D808 PolarHBondContact O-N 3.34Å; D808-P816 CarbonylContact O-C 3.52Å; D808-P816 WeakPolarHBondContact O-CA 3.49Å; D808-E817 PolarHBondContact O-N 2.89Å; D808-P818 WeakPolarHBondContact O-CD 3.39Å |
| 809 | F | 96.4 | Very high | 93.6 | Very high | 118 Ų | 118 | 44.9 Ų | 44.9 | 52% | 0.518 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -133 | 139.3 | -177.9 | -58.4 | -82.2 | 0 | 0 | 0 | 111.6 | G806 N807 A811 G814 A815 P816 N868 | G806-F809 PolarHBondContact O-N 3Å; G806-F809 VanDerWaalsContact O-O 3.08Å; N807-F809 PolarHBondContact O-N 2.83Å; F809-A811 PolarHBondContact O-N 3.47Å; F809-G814 WeakPolarHBondContact CD1-O 3.4Å; F809-A815 CarbonylContact C-O 3.58Å; F809-A815 WeakPolarHBondContact CA-O 3.31Å; F809-P816 HydrophobicContact CD1-CB 4.19Å; F809-P816 HydrophobicContact CE1-CB 4.21Å; F809-N868 PolarHBondContact O-ND2 3.19Å |
| 810 | C | 97.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.02 | 24% | 0.244 | C | C | . | . | trans | -52.4 | 128.6 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 112 | D812 G814 A815 P818 C830 | C810-D812 PolarHBondContact O-N 3.25Å; C810-G814 WeakPolarHBondContact O-CA 3.31Å; C810-G814 PolarHBondContact O-N 2.92Å; C810-A815 HydrophobicContact CB-CB 4Å; C810-A815 WeakPolarHBondContact CB-O 3.42Å; C810-A815 PolarHBondContact N-O 2.9Å; C810-P818 HydrophobicContact CB-CB 4.48Å; C810-C830 HydrophobicContact CB-CB 3.99Å; C810-C830 PolarHBondContact SG-N 2.95Å | ||
| 811 | A | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -37 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F809 A827 M828 V829 N868 N872 K913 K930 | F809-A811 PolarHBondContact O-N 3.47Å; A811-A827 HydrophobicContact CB-CB 4.16Å; A811-M828 PolarHBondContact N-O 3.19Å; A811-V829 HydrophobicContact CB-CG1 4.1Å; A811-N868 PolarHBondContact N-ND2 3.04Å; A811-N872 PolarHBondContact O-ND2 2.75Å; A811-K913 WeakPolarHBondContact O-CE 3.29Å; A811-K913 PolarHBondContact O-NZ 3.21Å; A811-K930 PolarHBondContact O-NZ 3.37Å |
| 812 | D | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -35.7 | -168.8 | -48.9 | -53.6 | 0 | 0 | 0 | 113.9 | C810 V829 H837 K913 W926 I927 K930 Y931 | C810-D812 PolarHBondContact O-N 3.25Å; D812-V829 VanDerWaalsContact OD2-CG1 3.25Å; D812-V829 WeakPolarHBondContact OD2-CG1 3.36Å; D812-H837 IonicContact OD2-NE2 2.73Å; D812-H837 PolarHBondContact OD2-NE2 3.08Å; D812-K913 WeakPolarHBondContact O-CE 3.38Å; D812-K913 WeakPolarHBondContact O-CG 3.42Å; D812-W926 PolarHBondContact O-NE1 3.34Å; D812-I927 HydrophobicContact CB-CD1 4.18Å; D812-I927 HydrophobicContact CB-CG1 3.97Å; D812-K930 IonicContact OD1-NZ 3.86Å; D812-K930 PolarHBondContact OD1-NZ 2.88Å; D812-Y931 VanDerWaalsContact OD1-CE2 3.31Å; D812-Y931 WeakPolarHBondContact OD1-CE2 3.3Å; D812-Y931 PolarHBondContact OD1-OH 3.47Å |
| 813 | C | 95.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | 9.2 | -172.8 | 83 | 0 | 0 | 0 | 0 | 115.2 | A815 P914 D915 P916 K923 | C813-A815 PolarHBondContact O-N 2.66Å; C813-P914 CarbonylContact C-O 3.53Å; C813-P914 WeakPolarHBondContact CA-O 3.44Å; C813-P914 HydrophobicContact CB-CB 4.34Å; C813-P914 HydrophobicContact CB-CG 4.05Å; C813-D915 CarbonylContact O-C 3.58Å; C813-D915 VanDerWaalsContact O-C 3.23Å; C813-P916 WeakPolarHBondContact O-CD 3.13Å; C813-P916 VanDerWaalsContact O-N 3.14Å; C813-K923 HydrophobicContact CB-CD 4.39Å; C813-K923 HydrophobicContact CB-CG 4.45Å |
| 814 | G | 94 | Very high | 94.9 | Very high | 30 Ų | 30 | 33.6 Ų | 33.6 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | trans | 64.5 | 9.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | F809 C810 | F809-G814 WeakPolarHBondContact CD1-O 3.4Å; C810-G814 WeakPolarHBondContact O-CA 3.31Å; C810-G814 PolarHBondContact O-N 2.92Å | ||
| 815 | A | 94.8 | Very high | 95 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | trans | -63.2 | 129 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F809 C810 C813 C830 P916 | F809-A815 CarbonylContact C-O 3.58Å; F809-A815 WeakPolarHBondContact CA-O 3.31Å; C810-A815 HydrophobicContact CB-CB 4Å; C810-A815 WeakPolarHBondContact CB-O 3.42Å; C810-A815 PolarHBondContact N-O 2.9Å; C813-A815 PolarHBondContact O-N 2.66Å; A815-C830 HydrophobicContact CB-CB 3.91Å; A815-P916 HydrophobicContact CB-CB 3.92Å; A815-P916 HydrophobicContact CB-CG 4.26Å | ||
| 816 | P | 94.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 30.4 Ų | 30.4 | 54% | 0.539 | 17% | 0.169 | S | C | . | . | B | Isolated β-bridge | trans | -67.1 | 159.7 | -175.7 | 29.2 | -36.4 | 0 | 0 | 0 | 112.5 | D808 F809 | D808-P816 CarbonylContact O-C 3.52Å; D808-P816 WeakPolarHBondContact O-CA 3.49Å; F809-P816 HydrophobicContact CD1-CB 4.19Å; F809-P816 HydrophobicContact CE1-CB 4.21Å |
| 817 | E | 90.3 | Very high | 95.4 | Very high | 158 Ų | 158 | 29.3 Ų | 29.3 | 74% | 0.738 | 16% | 0.157 | S | C | * | . | S | Bend | trans | 48.5 | 56.1 | 175.7 | -60.5 | -175.6 | 166.1 | 0 | 0 | 113.9 | D808 D819 | D808-E817 PolarHBondContact O-N 2.89Å; E817-D819 PolarHBondContact O-N 2.99Å |
| 818 | P | 95.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -59.4 | 128.9 | 176.5 | 26.6 | -35.7 | 0 | 0 | 0 | 111.8 | R802 N807 D808 C810 M828 V829 | R802-P818 PolarHBondContact NH1-O 3.05Å; N807-P818 WeakPolarHBondContact O-CD 3.47Å; N807-P818 WeakPolarHBondContact O-CG 3.29Å; D808-P818 WeakPolarHBondContact O-CD 3.39Å; C810-P818 HydrophobicContact CB-CB 4.48Å; P818-M828 HydrophobicContact CB-CB 4.08Å; P818-M828 HydrophobicContact CB-CE 4.38Å; P818-M828 HydrophobicContact CG-CB 3.71Å; P818-M828 HydrophobicContact CG-CE 4.48Å; P818-M828 WeakPolarHBondContact O-CE 3.45Å; P818-V829 VanDerWaalsContact CB-C 3.42Å; P818-V829 WeakPolarHBondContact CB-O 3.44Å | ||
| 819 | D | 93.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 24.8 Ų | 24.8 | 32% | 0.316 | 13% | 0.133 | S | C | . | . | trans | -103.1 | -0.2 | -179.9 | -84.7 | -22.1 | 0 | 0 | 0 | 114 | R802 E817 S849 L850 H851 | R802-D819 IonicContact CZ-OD1 3.66Å; R802-D819 IonicContact NH1-OD1 3.76Å; R802-D819 IonicContact NH2-OD1 2.68Å; R802-D819 PolarHBondContact NH2-OD1 2.73Å; E817-D819 PolarHBondContact O-N 2.99Å; D819-S849 WeakPolarHBondContact O-CA 3.34Å; D819-S849 PolarHBondContact O-OG 2.78Å; D819-L850 PolarHBondContact O-N 2.84Å; D819-H851 IonicContact OD1-CD2 3.64Å; D819-H851 PolarHBondContact OD1-CD2 3.38Å; D819-H851 IonicContact OD1-NE2 2.73Å; D819-H851 PolarHBondContact OD1-NE2 3.44Å; D819-H851 IonicContact OD2-CD2 3.34Å; D819-H851 IonicContact OD2-NE2 3.88Å; D819-H851 PolarHBondContact OD2-NE2 3.44Å | ||
| 820 | W | 96.8 | Very high | 95.7 | Very high | 35 Ų | 35 | 19.8 Ų | 19.8 | 13% | 0.133 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.8 | 178.8 | -59.9 | 81.2 | 0 | 0 | 0 | 110.7 | M828 V829 I847 R848 L852 | W820-M828 CarbonylContact O-C 3.3Å; W820-M828 WeakPolarHBondContact O-CA 3.49Å; W820-M828 WeakPolarHBondContact O-CE 3.33Å; W820-V829 CarbonylContact C-O 3.23Å; W820-V829 WeakPolarHBondContact CA-O 3.37Å; W820-V829 HydrophobicContact CB-CG2 4.01Å; W820-V829 WeakPolarHBondContact CB-O 3.41Å; W820-V829 PolarHBondContact N-O 2.91Å; W820-V829 VanDerWaalsContact N-O 3.14Å; W820-V829 PolarHBondContact O-N 3.43Å; W820-I847 HydrophobicContact CE3-CG2 3.72Å; W820-I847 HydrophobicContact CZ3-CG2 4.4Å; W820-R848 CarbonylContact C-O 3.55Å; W820-R848 VanDerWaalsContact CA-O 3.29Å; W820-R848 WeakPolarHBondContact CA-O 3.42Å; W820-L852 HydrophobicContact CH2-CD1 4.04Å; W820-L852 HydrophobicContact CZ2-CD1 4.2Å |
| 821 | A | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.1 | -176 | 0 | 0 | 0 | 0 | 0 | 110.6 | A827 M828 I847 R848 W855 M863 | A821-A827 CarbonylContact C-O 3.55Å; A821-A827 WeakPolarHBondContact CA-O 3.41Å; A821-M828 HydrophobicContact CB-CE 4.49Å; A821-M828 HydrophobicContact CB-SD 3.6Å; A821-I847 CarbonylContact O-C 3.57Å; A821-I847 VanDerWaalsContact O-CA 3.26Å; A821-I847 WeakPolarHBondContact O-CA 3.42Å; A821-R848 PolarHBondContact N-O 2.71Å; A821-R848 PolarHBondContact O-N 3.33Å; A821-W855 HydrophobicContact CB-CH2 3.63Å; A821-W855 HydrophobicContact CB-CZ2 4.06Å; A821-M863 HydrophobicContact CB-CE 3.86Å; A821-M863 HydrophobicContact CB-SD 4.16Å |
| 822 | S | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 99.5 | 164.9 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | N824 L825 G826 A827 S845 | S822-N824 PolarHBondContact O-N 2.85Å; S822-L825 PolarHBondContact O-N 3.45Å; S822-L825 VanDerWaalsContact OG-CD1 3.3Å; S822-L825 WeakPolarHBondContact OG-CD1 3.27Å; S822-L825 WeakPolarHBondContact OG-CG 3.26Å; S822-G826 PolarHBondContact O-N 2.69Å; S822-G826 VanDerWaalsContact O-N 3.12Å; S822-A827 PolarHBondContact N-O 3.4Å; S822-A827 PolarHBondContact O-N 3.25Å; S822-S845 WeakPolarHBondContact CB-OG 3.07Å; S822-S845 PolarHBondContact OG-OG 3.31Å |
| 823 | L | 95 | Very high | 95.5 | Very high | 10 Ų | 10 | 27.6 Ų | 27.6 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -51.9 | -51.1 | -170.5 | -64.8 | -178.2 | 0 | 0 | 0 | 113.3 | L825 G826 R846 R848 W855 M863 W1005 | L823-L825 PolarHBondContact O-N 2.83Å; L823-G826 PolarHBondContact O-N 2.68Å; L823-R846 HydrophobicContact CB-CB 4.34Å; L823-R846 PolarHBondContact N-O 3.12Å; L823-R848 HydrophobicContact CD1-CG 3.73Å; L823-R848 HydrophobicContact CD2-CB 4.49Å; L823-R848 HydrophobicContact CD2-CG 4.2Å; L823-R848 HydrophobicContact CG-CG 3.93Å; L823-W855 HydrophobicContact CD2-CE3 4.39Å; L823-W855 HydrophobicContact CD2-CH2 3.61Å; L823-W855 HydrophobicContact CD2-CZ3 3.47Å; L823-W855 VanDerWaalsContact CD2-CZ3 3.47Å; L823-M863 HydrophobicContact CD2-CG 4.38Å; L823-W1005 HydrophobicContact CB-CE3 4.42Å; L823-W1005 HydrophobicContact CB-CH2 3.68Å; L823-W1005 HydrophobicContact CB-CZ2 4.09Å; L823-W1005 HydrophobicContact CB-CZ3 3.85Å; L823-W1005 HydrophobicContact CD1-CH2 4.32Å; L823-W1005 HydrophobicContact CD1-CZ2 4.07Å; L823-W1005 HydrophobicContact CG-CH2 4.41Å; L823-W1005 VanDerWaalsContact O-CZ3 3.28Å; L823-W1005 WeakPolarHBondContact O-CZ3 3.4Å |
| 824 | N | 94.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -74.5 | -5.1 | -177.3 | 69.7 | -77.3 | 0 | 0 | 0 | 114.5 | S822 I844 S845 R846 W1005 Y1006 | S822-N824 PolarHBondContact O-N 2.85Å; N824-I844 PolarHBondContact ND2-O 3.19Å; N824-S845 WeakPolarHBondContact OD1-CA 3.14Å; N824-R846 WeakPolarHBondContact OD1-CB 3.49Å; N824-R846 PolarHBondContact OD1-N 3.47Å; N824-W1005 HydrophobicContact CB-CB 4.2Å; N824-W1005 HydrophobicContact CB-CE3 4.18Å; N824-Y1006 HydrophobicContact CB-CE2 4.09Å; N824-Y1006 PolarHBondContact ND2-OH 3.35Å; N824-Y1006 WeakPolarHBondContact O-CE2 3.4Å; N824-Y1006 PolarHBondContact O-OH 3.3Å |
| 825 | L | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -106.9 | -8.8 | 174.6 | -57.6 | 176.2 | 0 | 0 | 0 | 111.7 | S822 L823 A827 W875 Y931 | S822-L825 PolarHBondContact O-N 3.45Å; S822-L825 VanDerWaalsContact OG-CD1 3.3Å; S822-L825 WeakPolarHBondContact OG-CD1 3.27Å; S822-L825 WeakPolarHBondContact OG-CG 3.26Å; L823-L825 PolarHBondContact O-N 2.83Å; L825-A827 HydrophobicContact CB-CB 4.17Å; L825-A827 PolarHBondContact O-N 2.82Å; L825-W875 HydrophobicContact CD2-CH2 4.44Å; L825-W875 HydrophobicContact CD2-CZ2 3.6Å; L825-Y931 HydrophobicContact CD1-CD1 3.82Å; L825-Y931 HydrophobicContact CD1-CE1 3.61Å; L825-Y931 HydrophobicContact CD1-CE2 4.46Å; L825-Y931 HydrophobicContact CD1-CG 4.34Å; L825-Y931 HydrophobicContact CD2-CD1 4.28Å; L825-Y931 HydrophobicContact CD2-CE1 4.28Å; L825-Y931 HydrophobicContact CG-CE1 4.46Å |
| 826 | G | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 18.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S822 L823 G867 | S822-G826 PolarHBondContact O-N 2.69Å; S822-G826 VanDerWaalsContact O-N 3.12Å; L823-G826 PolarHBondContact O-N 2.68Å; G826-G867 PolarHBondContact O-N 2.83Å |
| 827 | A | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.4 | -162 | 0 | 0 | 0 | 0 | 0 | 113.3 | A811 A821 S822 L825 N868 A871 | A811-A827 HydrophobicContact CB-CB 4.16Å; A821-A827 CarbonylContact C-O 3.55Å; A821-A827 WeakPolarHBondContact CA-O 3.41Å; S822-A827 PolarHBondContact N-O 3.4Å; S822-A827 PolarHBondContact O-N 3.25Å; L825-A827 HydrophobicContact CB-CB 4.17Å; L825-A827 PolarHBondContact O-N 2.82Å; A827-N868 WeakPolarHBondContact CA-OD1 3.48Å; A827-N868 WeakPolarHBondContact CB-OD1 3.34Å; A827-A871 HydrophobicContact CB-CB 4.11Å |
| 828 | M | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.5 | 176.3 | -69.8 | -59.3 | -57.4 | 0 | 0 | 111.5 | I801 N807 A811 P818 W820 A821 L850 M863 N868 | I801-M828 HydrophobicContact CG2-CG 4.24Å; I801-M828 HydrophobicContact CG2-SD 3.66Å; N807-M828 HydrophobicContact CB-CB 4.29Å; N807-M828 HydrophobicContact CB-CG 3.82Å; N807-M828 VanDerWaalsContact CG-CG 3.42Å; A811-M828 PolarHBondContact N-O 3.19Å; P818-M828 HydrophobicContact CB-CB 4.08Å; P818-M828 HydrophobicContact CB-CE 4.38Å; P818-M828 HydrophobicContact CG-CB 3.71Å; P818-M828 HydrophobicContact CG-CE 4.48Å; P818-M828 WeakPolarHBondContact O-CE 3.45Å; W820-M828 CarbonylContact O-C 3.3Å; W820-M828 WeakPolarHBondContact O-CA 3.49Å; W820-M828 WeakPolarHBondContact O-CE 3.33Å; A821-M828 HydrophobicContact CB-CE 4.49Å; A821-M828 HydrophobicContact CB-SD 3.6Å; M828-L850 HydrophobicContact CE-CD1 3.47Å; M828-L850 VanDerWaalsContact CE-CD1 3.47Å; M828-L850 HydrophobicContact CE-CD2 4.24Å; M828-L850 HydrophobicContact CE-CG 3.78Å; M828-L850 HydrophobicContact SD-CD2 4.47Å; M828-M863 HydrophobicContact CG-CE 3.9Å; M828-M863 HydrophobicContact SD-CE 3.61Å; M828-N868 PolarHBondContact N-OD1 2.91Å; M828-N868 PolarHBondContact O-ND2 3.08Å; M828-N868 PolarHBondContact O-OD1 3.47Å |
| 829 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.9 | -175.9 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | A811 D812 P818 W820 C833 I847 | A811-V829 HydrophobicContact CB-CG1 4.1Å; D812-V829 VanDerWaalsContact OD2-CG1 3.25Å; D812-V829 WeakPolarHBondContact OD2-CG1 3.36Å; P818-V829 VanDerWaalsContact CB-C 3.42Å; P818-V829 WeakPolarHBondContact CB-O 3.44Å; W820-V829 CarbonylContact C-O 3.23Å; W820-V829 WeakPolarHBondContact CA-O 3.37Å; W820-V829 HydrophobicContact CB-CG2 4.01Å; W820-V829 WeakPolarHBondContact CB-O 3.41Å; W820-V829 PolarHBondContact N-O 2.91Å; W820-V829 VanDerWaalsContact N-O 3.14Å; W820-V829 PolarHBondContact O-N 3.43Å; V829-C833 HydrophobicContact CB-CB 4.2Å; V829-I847 HydrophobicContact CG2-CD1 4.02Å |
| 830 | C | 97 | Very high | 96.1 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 10% | 0.095 | 12% | 0.123 | C | C | . | . | trans | -78.4 | 169.5 | 174.7 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | C810 A815 S832 C833 S834 | C810-C830 HydrophobicContact CB-CB 3.99Å; C810-C830 PolarHBondContact SG-N 2.95Å; A815-C830 HydrophobicContact CB-CB 3.91Å; C830-S832 VanDerWaalsContact C-N 3.32Å; C830-S832 PolarHBondContact O-N 3.42Å; C830-S832 PolarHBondContact SG-OG 2.96Å; C830-C833 PolarHBondContact O-N 3.49Å; C830-C833 VanDerWaalsContact SG-SG 3.64Å; C830-S834 WeakPolarHBondContact O-CB 3.41Å; C830-S834 PolarHBondContact O-N 2.98Å | ||
| 831 | I | 95 | Very high | 95.8 | Very high | 118 Ų | 118 | 23.9 Ų | 23.9 | 61% | 0.605 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -59.1 | -36 | -175.5 | -169.9 | 167.6 | 0 | 0 | 0 | 114.2 | S834 G835 | I831-S834 PolarHBondContact O-OG 2.7Å; I831-S834 VanDerWaalsContact O-OG 3.09Å; I831-G835 PolarHBondContact O-N 2.89Å; I831-G835 VanDerWaalsContact O-N 3.14Å |
| 832 | S | 95.7 | Very high | 95.6 | Very high | 50 Ų | 50 | 29 Ų | 29 | 35% | 0.35 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70 | -46.2 | 179.5 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | C830 G835 I836 | C830-S832 VanDerWaalsContact C-N 3.32Å; C830-S832 PolarHBondContact O-N 3.42Å; C830-S832 PolarHBondContact SG-OG 2.96Å; S832-G835 PolarHBondContact O-N 3.33Å; S832-I836 PolarHBondContact O-N 2.96Å |
| 833 | C | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 174.4 | -62 | 0 | 0 | 0 | 0 | 111.9 | V829 C830 G835 I836 H837 I927 | V829-C833 HydrophobicContact CB-CB 4.2Å; C830-C833 PolarHBondContact O-N 3.49Å; C830-C833 VanDerWaalsContact SG-SG 3.64Å; C833-G835 PolarHBondContact O-N 3.43Å; C833-I836 WeakPolarHBondContact O-CA 3.3Å; C833-I836 WeakPolarHBondContact O-CB 3.48Å; C833-I836 PolarHBondContact O-N 3.47Å; C833-H837 PolarHBondContact O-CD2 2.76Å; C833-H837 VanDerWaalsContact O-CD2 3.31Å; C833-H837 PolarHBondContact O-N 3.41Å; C833-I927 HydrophobicContact CB-CD1 3.77Å |
| 834 | S | 96.8 | Very high | 95 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -34.9 | 175.2 | 93.1 | 0 | 0 | 0 | 0 | 112 | C830 I831 I836 H837 R838 | C830-S834 WeakPolarHBondContact O-CB 3.41Å; C830-S834 PolarHBondContact O-N 2.98Å; I831-S834 PolarHBondContact O-OG 2.7Å; I831-S834 VanDerWaalsContact O-OG 3.09Å; S834-I836 PolarHBondContact O-N 3.06Å; S834-H837 PolarHBondContact O-N 3.38Å; S834-R838 VanDerWaalsContact O-CG 3.27Å; S834-R838 WeakPolarHBondContact O-CG 3.42Å; S834-R838 PolarHBondContact O-N 3.24Å; S834-R838 VanDerWaalsContact O-N 3.08Å |
| 835 | G | 94.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.8 | -11.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I831 S832 C833 R920 | I831-G835 PolarHBondContact O-N 2.89Å; I831-G835 VanDerWaalsContact O-N 3.14Å; S832-G835 PolarHBondContact O-N 3.33Å; C833-G835 PolarHBondContact O-N 3.43Å; G835-R920 PolarHBondContact O-NH2 3.39Å |
| 836 | I | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -97.2 | -43.8 | 171.3 | -62.1 | 163.2 | 0 | 0 | 0 | 109.5 | S832 C833 S834 R838 Q839 L840 R920 K923 E924 I927 | S832-I836 PolarHBondContact O-N 2.96Å; C833-I836 WeakPolarHBondContact O-CA 3.3Å; C833-I836 WeakPolarHBondContact O-CB 3.48Å; C833-I836 PolarHBondContact O-N 3.47Å; S834-I836 PolarHBondContact O-N 3.06Å; I836-R838 PolarHBondContact O-N 3.25Å; I836-Q839 WeakPolarHBondContact O-CA 3.29Å; I836-Q839 WeakPolarHBondContact O-CB 3.31Å; I836-Q839 PolarHBondContact O-N 3.48Å; I836-L840 PolarHBondContact O-N 3.21Å; I836-R920 HydrophobicContact CD1-CG 4.31Å; I836-R920 HydrophobicContact CG1-CG 4.48Å; I836-K923 HydrophobicContact CD1-CB 3.68Å; I836-E924 HydrophobicContact CD1-CB 4.15Å; I836-E924 HydrophobicContact CG1-CB 4.46Å; I836-E924 HydrophobicContact CG2-CB 4.1Å; I836-E924 HydrophobicContact CG2-CG 3.93Å; I836-I927 HydrophobicContact CB-CD1 4.06Å; I836-I927 HydrophobicContact CB-CG2 4.44Å; I836-I927 HydrophobicContact CD1-CD1 3.91Å; I836-I927 HydrophobicContact CG2-CB 4.03Å; I836-I927 HydrophobicContact CG2-CD1 4.14Å; I836-I927 HydrophobicContact CG2-CG2 3.66Å |
| 837 | H | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.7 | -37.5 | 173.9 | -85.2 | -114.3 | 0 | 0 | 0 | 113.1 | D812 C833 S834 Q839 L840 S845 I847 Y931 | D812-H837 IonicContact OD2-NE2 2.73Å; D812-H837 PolarHBondContact OD2-NE2 3.08Å; C833-H837 PolarHBondContact O-CD2 2.76Å; C833-H837 VanDerWaalsContact O-CD2 3.31Å; C833-H837 PolarHBondContact O-N 3.41Å; S834-H837 PolarHBondContact O-N 3.38Å; H837-Q839 PolarHBondContact O-N 2.6Å; H837-L840 WeakPolarHBondContact O-CB 3.19Å; H837-L840 PolarHBondContact O-N 2.86Å; H837-S845 WeakPolarHBondContact ND1-CB 3.12Å; H837-S845 PolarHBondContact ND1-OG 3.5Å; H837-I847 HydrophobicContact CB-CD1 3.61Å; H837-I847 HydrophobicContact CB-CG1 3.63Å; H837-Y931 AromaticContact CE1-CD2 3.59Å; H837-Y931 AromaticContact CE1-CE2 3.29Å; H837-Y931 WeakPolarHBondContact CE1-CE2 3.49Å; H837-Y931 AromaticContact CE1-CZ 3.98Å; H837-Y931 AromaticContact NE2-CD2 3.74Å; H837-Y931 AromaticContact NE2-CE2 3.42Å; H837-Y931 WeakPolarHBondContact NE2-CE2 3.34Å |
| 838 | R | 96.1 | Very high | 95 | Very high | 134 Ų | 134 | 44.4 Ų | 44.4 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.4 | -25.1 | 172.9 | -74.3 | 171.1 | -174.9 | -77.1 | 3.3 | 114 | S834 I836 I847 | S834-R838 VanDerWaalsContact O-CG 3.27Å; S834-R838 WeakPolarHBondContact O-CG 3.42Å; S834-R838 PolarHBondContact O-N 3.24Å; S834-R838 VanDerWaalsContact O-N 3.08Å; I836-R838 PolarHBondContact O-N 3.25Å; R838-I847 HydrophobicContact CG-CB 4.26Å; R838-I847 HydrophobicContact CG-CG1 4.29Å; R838-I847 HydrophobicContact CG-CG2 4.49Å |
| 839 | Q | 94.6 | Very high | 94.9 | Very high | 104 Ų | 104 | 44.6 Ų | 44.6 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -88.2 | -18 | 178.4 | -60.6 | 175.6 | -51 | 0 | 0 | 113.1 | I836 H837 G841 | I836-Q839 WeakPolarHBondContact O-CA 3.29Å; I836-Q839 WeakPolarHBondContact O-CB 3.31Å; I836-Q839 PolarHBondContact O-N 3.48Å; H837-Q839 PolarHBondContact O-N 2.6Å; Q839-G841 VanDerWaalsContact C-N 3.26Å |
| 840 | L | 93.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.5 | -27.4 | 169.2 | -53.7 | -177.4 | 0 | 0 | 0 | 111.9 | I836 H837 H843 I844 I927 R928 Q932 | I836-L840 PolarHBondContact O-N 3.21Å; H837-L840 WeakPolarHBondContact O-CB 3.19Å; H837-L840 PolarHBondContact O-N 2.86Å; L840-H843 PolarHBondContact O-CE1 3.19Å; L840-I844 HydrophobicContact CB-CB 4.06Å; L840-I844 HydrophobicContact CB-CD1 4.21Å; L840-I844 HydrophobicContact CB-CG2 4.2Å; L840-I844 HydrophobicContact CD1-CG2 3.93Å; L840-I927 HydrophobicContact CD1-CG2 3.84Å; L840-I927 HydrophobicContact CG-CG2 4.44Å; L840-R928 HydrophobicContact CD2-CG 3.99Å; L840-Q932 HydrophobicContact CD2-CB 4.4Å |
| 841 | G | 90.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | trans | 91 | 159.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q839 H843 I844 S845 | Q839-G841 VanDerWaalsContact C-N 3.26Å; G841-H843 PolarHBondContact O-N 3.48Å; G841-H843 VanDerWaalsContact O-N 3.08Å; G841-I844 PolarHBondContact O-N 3.07Å; G841-S845 PolarHBondContact O-N 3.15Å | ||
| 842 | T | 91.9 | Very high | 93.7 | Very high | 107 Ų | 107 | 44 Ų | 44 | 66% | 0.656 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.9 | -169 | 51.2 | 0 | 0 | 0 | 0 | 115.6 | R846 | T842-R846 WeakPolarHBondContact O-CG 3.25Š|
| 843 | H | 88 | Confident | 93.4 | Very high | 141 Ų | 141 | 44.3 Ų | 44.3 | 65% | 0.653 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -20.6 | 173.5 | 66.5 | -76.7 | 0 | 0 | 0 | 112.4 | L840 G841 | L840-H843 PolarHBondContact O-CE1 3.19Å; G841-H843 PolarHBondContact O-N 3.48Å; G841-H843 VanDerWaalsContact O-N 3.08Å |
| 844 | I | 92.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -46.4 | 173 | -57.3 | 177.8 | 0 | 0 | 0 | 110.3 | N824 L840 G841 Q932 | N824-I844 PolarHBondContact ND2-O 3.19Å; L840-I844 HydrophobicContact CB-CB 4.06Å; L840-I844 HydrophobicContact CB-CD1 4.21Å; L840-I844 HydrophobicContact CB-CG2 4.2Å; L840-I844 HydrophobicContact CD1-CG2 3.93Å; G841-I844 PolarHBondContact O-N 3.07Å; I844-Q932 HydrophobicContact CD1-CB 4.29Å; I844-Q932 HydrophobicContact CD1-CG 4.1Å |
| 845 | S | 95.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | -142.2 | 125.3 | -175.6 | -177.5 | 0 | 0 | 0 | 0 | 113.7 | S822 N824 H837 G841 | S822-S845 WeakPolarHBondContact CB-OG 3.07Å; S822-S845 PolarHBondContact OG-OG 3.31Å; N824-S845 WeakPolarHBondContact OD1-CA 3.14Å; H837-S845 WeakPolarHBondContact ND1-CB 3.12Å; H837-S845 PolarHBondContact ND1-OG 3.5Å; G841-S845 PolarHBondContact O-N 3.15Å | ||
| 846 | R | 95.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 21% | 0.211 | 27% | 0.272 | C | S | . | . | trans | -103.9 | 87.5 | 177.9 | -65.8 | -177 | 176.2 | 90.4 | -14.3 | 110.7 | L823 N824 T842 W1005 | L823-R846 HydrophobicContact CB-CB 4.34Å; L823-R846 PolarHBondContact N-O 3.12Å; N824-R846 WeakPolarHBondContact OD1-CB 3.49Å; N824-R846 PolarHBondContact OD1-N 3.47Å; T842-R846 WeakPolarHBondContact O-CG 3.25Å; R846-W1005 PolarHBondContact NH1-O 2.92Å; R846-W1005 PolarHBondContact NH2-O 3.44Å | ||
| 847 | I | 96.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.3 | -177 | -65.5 | -65.9 | 0 | 0 | 0 | 113.3 | W820 A821 V829 H837 R838 | W820-I847 HydrophobicContact CE3-CG2 3.72Å; W820-I847 HydrophobicContact CZ3-CG2 4.4Å; A821-I847 CarbonylContact O-C 3.57Å; A821-I847 VanDerWaalsContact O-CA 3.26Å; A821-I847 WeakPolarHBondContact O-CA 3.42Å; V829-I847 HydrophobicContact CG2-CD1 4.02Å; H837-I847 HydrophobicContact CB-CD1 3.61Å; H837-I847 HydrophobicContact CB-CG1 3.63Å; R838-I847 HydrophobicContact CG-CB 4.26Å; R838-I847 HydrophobicContact CG-CG1 4.29Å; R838-I847 HydrophobicContact CG-CG2 4.49Å |
| 848 | R | 95 | Very high | 91.4 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 159.3 | 166.4 | -69.6 | -64.6 | -179.3 | -87.4 | 3.5 | 111.1 | W820 A821 L823 D853 W855 | W820-R848 CarbonylContact C-O 3.55Å; W820-R848 VanDerWaalsContact CA-O 3.29Å; W820-R848 WeakPolarHBondContact CA-O 3.42Å; A821-R848 PolarHBondContact N-O 2.71Å; A821-R848 PolarHBondContact O-N 3.33Å; L823-R848 HydrophobicContact CD1-CG 3.73Å; L823-R848 HydrophobicContact CD2-CB 4.49Å; L823-R848 HydrophobicContact CD2-CG 4.2Å; L823-R848 HydrophobicContact CG-CG 3.93Å; R848-D853 VanDerWaalsContact CA-OD2 3.25Å; R848-D853 WeakPolarHBondContact CA-OD2 3.11Å; R848-D853 HydrophobicContact CB-CB 4.37Å; R848-D853 VanDerWaalsContact CD-CG 3.49Å; R848-D853 WeakPolarHBondContact CD-OD2 3.41Å; R848-W855 HydrophobicContact CB-CH2 4.37Å; R848-W855 HydrophobicContact CB-CZ2 3.91Å |
| 849 | S | 94.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.028 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.2 | 165.6 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | D819 H851 L852 D853 W855 | D819-S849 WeakPolarHBondContact O-CA 3.34Å; D819-S849 PolarHBondContact O-OG 2.78Å; S849-H851 VanDerWaalsContact C-N 3.25Å; S849-H851 PolarHBondContact O-N 2.81Å; S849-H851 PolarHBondContact OG-N 3.34Å; S849-H851 VanDerWaalsContact OG-N 3.12Å; S849-L852 PolarHBondContact OG-N 3.08Å; S849-L852 VanDerWaalsContact OG-N 3.12Å; S849-D853 PolarHBondContact N-OD2 3Å; S849-W855 PolarHBondContact O-NE1 2.9Å |
| 850 | L | 90.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -40.7 | 167.3 | -70.7 | 175.9 | 0 | 0 | 0 | 111.8 | I798 I801 R802 D819 M828 W855 | I798-L850 WeakPolarHBondContact CD1-O 3.3Å; I798-L850 HydrophobicContact CG1-CB 4.38Å; I798-L850 HydrophobicContact CG1-CD2 4.48Å; I798-L850 HydrophobicContact CG2-CB 4.4Å; I798-L850 HydrophobicContact CG2-CD1 4.21Å; I798-L850 HydrophobicContact CG2-CD2 4.49Å; I801-L850 HydrophobicContact CB-CD2 4.15Å; I801-L850 HydrophobicContact CD1-CD2 3.61Å; I801-L850 HydrophobicContact CG1-CD2 4.49Å; I801-L850 HydrophobicContact CG2-CD2 3.98Å; R802-L850 HydrophobicContact CG-CD1 4.42Å; D819-L850 PolarHBondContact O-N 2.84Å; M828-L850 HydrophobicContact CE-CD1 3.47Å; M828-L850 VanDerWaalsContact CE-CD1 3.47Å; M828-L850 HydrophobicContact CE-CD2 4.24Å; M828-L850 HydrophobicContact CE-CG 3.78Å; M828-L850 HydrophobicContact SD-CD2 4.47Å; L850-W855 HydrophobicContact CD2-CH2 4.46Å; L850-W855 HydrophobicContact CD2-CZ2 3.95Å |
| 851 | H | 87.1 | Confident | 91.1 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -22.7 | -169.8 | -55.9 | -61.6 | 0 | 0 | 0 | 114.5 | K736 R802 D819 S849 | K736-H851 WeakPolarHBondContact CD-O 3.45Å; K736-H851 WeakPolarHBondContact CE-O 3.45Å; K736-H851 PolarHBondContact NZ-O 3.45Å; R802-H851 PolarHBondContact NH2-NE2 2.93Å; D819-H851 IonicContact OD1-CD2 3.64Å; D819-H851 PolarHBondContact OD1-CD2 3.38Å; D819-H851 IonicContact OD1-NE2 2.73Å; D819-H851 PolarHBondContact OD1-NE2 3.44Å; D819-H851 IonicContact OD2-CD2 3.34Å; D819-H851 IonicContact OD2-NE2 3.88Å; D819-H851 PolarHBondContact OD2-NE2 3.44Å; S849-H851 VanDerWaalsContact C-N 3.25Å; S849-H851 PolarHBondContact O-N 2.81Å; S849-H851 PolarHBondContact OG-N 3.34Å; S849-H851 VanDerWaalsContact OG-N 3.12Å |
| 852 | L | 86.9 | Confident | 91.3 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 27% | 0.272 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -24.6 | -173.3 | -58.3 | 176.4 | 0 | 0 | 0 | 114.7 | N732 E733 W820 S849 | N732-L852 HydrophobicContact CB-CD2 4.25Å; E733-L852 HydrophobicContact CG-CD2 4.03Å; W820-L852 HydrophobicContact CH2-CD1 4.04Å; W820-L852 HydrophobicContact CZ2-CD1 4.2Å; S849-L852 PolarHBondContact OG-N 3.08Å; S849-L852 VanDerWaalsContact OG-N 3.12Å |
| 853 | D | 90.5 | Very high | 91.4 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -104.4 | 165.2 | -179.6 | -67.1 | -63.3 | 0 | 0 | 0 | 112.4 | R848 S849 | R848-D853 VanDerWaalsContact CA-OD2 3.25Å; R848-D853 WeakPolarHBondContact CA-OD2 3.11Å; R848-D853 HydrophobicContact CB-CB 4.37Å; R848-D853 VanDerWaalsContact CD-CG 3.49Å; R848-D853 WeakPolarHBondContact CD-OD2 3.41Å; S849-D853 PolarHBondContact N-OD2 3Å |
| 854 | E | 86.5 | Confident | 91.7 | Very high | 191 Ų | 191 | 41.3 Ų | 41.3 | 89% | 0.893 | 21% | 0.212 | S | C | * | . | trans | -83 | 144.5 | 170.9 | -71 | 163.6 | -154.7 | 0 | 0 | 111.4 | ||||
| 855 | W | 88.3 | Confident | 91.7 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | trans | -121.9 | 119.8 | -173.7 | -78.2 | 86.4 | 0 | 0 | 0 | 112.1 | I801 A821 L823 R848 S849 L850 V860 M863 | I801-W855 HydrophobicContact CD1-CD2 4.05Å; I801-W855 HydrophobicContact CD1-CE3 3.64Å; I801-W855 HydrophobicContact CD1-CH2 3.84Å; I801-W855 HydrophobicContact CD1-CZ2 4.25Å; I801-W855 HydrophobicContact CD1-CZ3 3.54Å; A821-W855 HydrophobicContact CB-CH2 3.63Å; A821-W855 HydrophobicContact CB-CZ2 4.06Å; L823-W855 HydrophobicContact CD2-CE3 4.39Å; L823-W855 HydrophobicContact CD2-CH2 3.61Å; L823-W855 HydrophobicContact CD2-CZ3 3.47Å; L823-W855 VanDerWaalsContact CD2-CZ3 3.47Å; R848-W855 HydrophobicContact CB-CH2 4.37Å; R848-W855 HydrophobicContact CB-CZ2 3.91Å; S849-W855 PolarHBondContact O-NE1 2.9Å; L850-W855 HydrophobicContact CD2-CH2 4.46Å; L850-W855 HydrophobicContact CD2-CZ2 3.95Å; W855-V860 HydrophobicContact CB-CG2 4.12Å; W855-V860 HydrophobicContact CE3-CG2 4.05Å; W855-M863 HydrophobicContact CH2-CG 4.1Å; W855-M863 HydrophobicContact CZ3-CG 3.76Å | ||
| 856 | S | 87.8 | Confident | 91.7 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | trans | -82.5 | 151.1 | 174.3 | 92.7 | 0 | 0 | 0 | 0 | 111.2 | E858 S859 V860 | S856-E858 WeakPolarHBondContact CB-OE2 3.48Å; S856-E858 PolarHBondContact O-N 2.71Å; S856-E858 PolarHBondContact OG-OE2 2.98Å; S856-S859 WeakPolarHBondContact O-CB 3.16Å; S856-S859 PolarHBondContact O-N 3.04Å; S856-S859 WeakPolarHBondContact OG-CB 3.45Å; S856-S859 PolarHBondContact OG-N 3.07Å; S856-S859 VanDerWaalsContact OG-N 3.15Å; S856-S859 PolarHBondContact OG-OG 2.92Å; S856-V860 WeakPolarHBondContact O-CG2 3.44Å; S856-V860 PolarHBondContact O-N 3.29Å | ||
| 857 | T | 87.4 | Confident | 91.7 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 53% | 0.534 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -31.9 | 179.8 | 39.5 | 0 | 0 | 0 | 0 | 112.9 | S861 | T857-S861 WeakPolarHBondContact O-CB 3.39Å; T857-S861 PolarHBondContact O-N 3.44Å; T857-S861 PolarHBondContact O-OG 3.29Å |
| 858 | E | 90 | Very high | 91.7 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75 | -38.6 | 177.5 | -43.6 | 90.2 | 164.2 | 0 | 0 | 110.9 | S856 S861 V862 L997 Q1001 F1035 R1038 | S856-E858 WeakPolarHBondContact CB-OE2 3.48Å; S856-E858 PolarHBondContact O-N 2.71Å; S856-E858 PolarHBondContact OG-OE2 2.98Å; E858-S861 WeakPolarHBondContact O-CB 3.48Å; E858-S861 PolarHBondContact O-N 3.17Å; E858-V862 WeakPolarHBondContact O-CG2 3.42Å; E858-V862 PolarHBondContact O-N 3.27Å; E858-L997 HydrophobicContact CB-CD2 4.49Å; E858-L997 HydrophobicContact CB-CG 4.44Å; E858-L997 HydrophobicContact CG-CD1 4.18Å; E858-L997 HydrophobicContact CG-CD2 3.97Å; E858-L997 HydrophobicContact CG-CG 4.2Å; E858-Q1001 HydrophobicContact CB-CG 4.33Å; E858-F1035 HydrophobicContact CB-CD2 4.46Å; E858-F1035 HydrophobicContact CB-CE2 3.97Å; E858-F1035 HydrophobicContact CG-CD2 3.63Å; E858-F1035 HydrophobicContact CG-CE2 3.62Å; E858-R1038 IonicContact OE1-NH1 2.64Å; E858-R1038 PolarHBondContact OE1-NH1 3.04Å |
| 859 | S | 92.1 | Very high | 91.7 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.2 | -57.2 | 0 | 0 | 0 | 0 | 112 | S856 V862 M863 | S856-S859 WeakPolarHBondContact O-CB 3.16Å; S856-S859 PolarHBondContact O-N 3.04Å; S856-S859 WeakPolarHBondContact OG-CB 3.45Å; S856-S859 PolarHBondContact OG-N 3.07Å; S856-S859 VanDerWaalsContact OG-N 3.15Å; S856-S859 PolarHBondContact OG-OG 2.92Å; S859-V862 PolarHBondContact O-N 3.35Å; S859-M863 WeakPolarHBondContact O-CG 3.45Å; S859-M863 PolarHBondContact O-N 3.09Å |
| 860 | V | 92.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 172.6 | 176 | 0 | 0 | 0 | 0 | 110.1 | L797 I801 W855 S856 V862 M863 S864 | L797-V860 HydrophobicContact CB-CG1 4.46Å; L797-V860 HydrophobicContact CB-CG2 4.1Å; L797-V860 HydrophobicContact CD2-CB 4.39Å; L797-V860 HydrophobicContact CD2-CG1 3.99Å; L797-V860 HydrophobicContact CD2-CG2 4.15Å; L797-V860 HydrophobicContact CG-CG2 4.49Å; I801-V860 HydrophobicContact CD1-CG2 4.21Å; I801-V860 HydrophobicContact CG1-CG1 4.1Å; W855-V860 HydrophobicContact CB-CG2 4.12Å; W855-V860 HydrophobicContact CE3-CG2 4.05Å; S856-V860 WeakPolarHBondContact O-CG2 3.44Å; S856-V860 PolarHBondContact O-N 3.29Å; V860-V862 VanDerWaalsContact C-N 3.34Å; V860-V862 PolarHBondContact O-N 3.21Å; V860-M863 PolarHBondContact O-N 2.89Å; V860-M863 VanDerWaalsContact O-N 3.17Å; V860-S864 PolarHBondContact O-N 3.27Å; V860-S864 PolarHBondContact O-OG 2.69Å |
| 861 | S | 92.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 33% | 0.329 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 178.6 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | T857 E858 A865 V998 | T857-S861 WeakPolarHBondContact O-CB 3.39Å; T857-S861 PolarHBondContact O-N 3.44Å; T857-S861 PolarHBondContact O-OG 3.29Å; E858-S861 WeakPolarHBondContact O-CB 3.48Å; E858-S861 PolarHBondContact O-N 3.17Å; S861-A865 WeakPolarHBondContact O-CB 3.49Å; S861-A865 PolarHBondContact O-N 3.22Å; S861-A865 VanDerWaalsContact O-N 3.09Å; S861-V998 WeakPolarHBondContact O-CG2 3.41Å |
| 862 | V | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 176 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | E858 S859 V860 A865 I866 V998 Q1001 L1002 W1005 | E858-V862 WeakPolarHBondContact O-CG2 3.42Å; E858-V862 PolarHBondContact O-N 3.27Å; S859-V862 PolarHBondContact O-N 3.35Å; V860-V862 VanDerWaalsContact C-N 3.34Å; V860-V862 PolarHBondContact O-N 3.21Å; V862-A865 PolarHBondContact O-N 2.98Å; V862-I866 HydrophobicContact CG1-CD1 3.77Å; V862-I866 PolarHBondContact O-N 3.23Å; V862-V998 HydrophobicContact CB-CG1 4.47Å; V862-V998 HydrophobicContact CG1-CG1 4.5Å; V862-V998 HydrophobicContact CG2-CB 4.4Å; V862-V998 HydrophobicContact CG2-CG1 4.1Å; V862-V998 HydrophobicContact CG2-CG2 4.44Å; V862-Q1001 HydrophobicContact CG2-CB 3.82Å; V862-Q1001 HydrophobicContact CG2-CG 3.75Å; V862-L1002 HydrophobicContact CG1-CD1 4.49Å; V862-L1002 HydrophobicContact CG1-CD2 3.77Å; V862-L1002 HydrophobicContact CG1-CG 4.03Å; V862-L1002 HydrophobicContact CG2-CG 4.44Å; V862-W1005 HydrophobicContact CB-CH2 4.42Å; V862-W1005 HydrophobicContact CB-CZ3 4.08Å; V862-W1005 HydrophobicContact CG1-CZ3 3.94Å; V862-W1005 HydrophobicContact CG2-CH2 4.29Å; V862-W1005 HydrophobicContact CG2-CZ3 4Å |
| 863 | M | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | -179.7 | -72.1 | -57.9 | -53.1 | 0 | 0 | 112.6 | I801 A821 L823 M828 W855 S859 V860 G867 | I801-M863 HydrophobicContact CD1-CB 4.34Å; I801-M863 HydrophobicContact CG1-CB 3.93Å; I801-M863 HydrophobicContact CG2-CB 4.01Å; I801-M863 HydrophobicContact CG2-CE 4.24Å; A821-M863 HydrophobicContact CB-CE 3.86Å; A821-M863 HydrophobicContact CB-SD 4.16Å; L823-M863 HydrophobicContact CD2-CG 4.38Å; M828-M863 HydrophobicContact CG-CE 3.9Å; M828-M863 HydrophobicContact SD-CE 3.61Å; W855-M863 HydrophobicContact CH2-CG 4.1Å; W855-M863 HydrophobicContact CZ3-CG 3.76Å; S859-M863 WeakPolarHBondContact O-CG 3.45Å; S859-M863 PolarHBondContact O-N 3.09Å; V860-M863 PolarHBondContact O-N 2.89Å; V860-M863 VanDerWaalsContact O-N 3.17Å; M863-G867 PolarHBondContact O-N 3.5Å |
| 864 | S | 92.9 | Very high | 93 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 27% | 0.266 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.3 | -22.7 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | S800 V860 | S800-S864 PolarHBondContact O-OG 3.43Å; S800-S864 PolarHBondContact OG-OG 3.12Å; V860-S864 PolarHBondContact O-N 3.27Å; V860-S864 PolarHBondContact O-OG 2.69Å |
| 865 | A | 93.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 26.9 Ų | 26.9 | 39% | 0.388 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -89 | -12.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S861 V862 V998 | S861-A865 WeakPolarHBondContact O-CB 3.49Å; S861-A865 PolarHBondContact O-N 3.22Å; S861-A865 VanDerWaalsContact O-N 3.09Å; V862-A865 PolarHBondContact O-N 2.98Å; A865-V998 HydrophobicContact CB-CG1 4.05Å; A865-V998 HydrophobicContact CB-CG2 3.95Å |
| 866 | I | 95.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -110.2 | -76.3 | 179.4 | -59.8 | 176.9 | 0 | 0 | 0 | 110 | V862 L870 A871 T960 I964 L1002 | V862-I866 HydrophobicContact CG1-CD1 3.77Å; V862-I866 PolarHBondContact O-N 3.23Å; I866-L870 HydrophobicContact CG2-CB 4.24Å; I866-L870 HydrophobicContact CG2-CD2 4.36Å; I866-L870 WeakPolarHBondContact O-CB 3.25Å; I866-A871 HydrophobicContact CG2-CB 4.11Å; I866-T960 HydrophobicContact CG1-CG2 4.3Å; I866-I964 HydrophobicContact CD1-CD1 3.98Å; I866-I964 HydrophobicContact CD1-CG1 4.34Å; I866-I964 HydrophobicContact CG1-CD1 4.07Å; I866-I964 HydrophobicContact CG2-CD1 3.76Å; I866-L1002 HydrophobicContact CD1-CD1 4.25Å; I866-L1002 HydrophobicContact CD1-CD2 4.25Å |
| 867 | G | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | 68.3 | 161.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N807 G826 M863 T869 L870 A871 | N807-G867 VanDerWaalsContact OD1-CA 3.31Å; N807-G867 WeakPolarHBondContact OD1-CA 3.3Å; G826-G867 PolarHBondContact O-N 2.83Å; M863-G867 PolarHBondContact O-N 3.5Å; G867-T869 VanDerWaalsContact C-N 3.3Å; G867-T869 PolarHBondContact O-N 3.42Å; G867-L870 PolarHBondContact O-N 3.03Å; G867-A871 WeakPolarHBondContact O-CB 3.32Å; G867-A871 PolarHBondContact O-N 3.2Å |
| 868 | N | 96.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -32.5 | -173.3 | -76 | -12.9 | 0 | 0 | 0 | 114.3 | A805 G806 N807 F809 A811 A827 M828 N872 | A805-N868 PolarHBondContact O-N 3.42Å; G806-N868 WeakPolarHBondContact O-CB 3.29Å; G806-N868 PolarHBondContact O-ND2 2.92Å; N807-N868 PolarHBondContact OD1-N 3.22Å; F809-N868 PolarHBondContact O-ND2 3.19Å; A811-N868 PolarHBondContact N-ND2 3.04Å; A827-N868 WeakPolarHBondContact CA-OD1 3.48Å; A827-N868 WeakPolarHBondContact CB-OD1 3.34Å; M828-N868 PolarHBondContact N-OD1 2.91Å; M828-N868 PolarHBondContact O-ND2 3.08Å; M828-N868 PolarHBondContact O-OD1 3.47Å; N868-N872 VanDerWaalsContact O-CB 3.3Å; N868-N872 WeakPolarHBondContact O-CB 3.28Å; N868-N872 PolarHBondContact O-N 3.44Å |
| 869 | T | 95.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 25.4 Ų | 25.4 | 53% | 0.528 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.5 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | A805 G806 G867 S873 | A805-T869 VanDerWaalsContact C-OG1 3.3Å; A805-T869 WeakPolarHBondContact O-CB 3.4Å; A805-T869 PolarHBondContact O-N 3.23Å; A805-T869 PolarHBondContact O-OG1 3.29Å; G806-T869 PolarHBondContact N-OG1 2.86Å; G867-T869 VanDerWaalsContact C-N 3.3Å; G867-T869 PolarHBondContact O-N 3.42Å; T869-S873 WeakPolarHBondContact O-CB 3.47Å; T869-S873 PolarHBondContact O-N 3.25Å; T869-S873 VanDerWaalsContact O-N 3.07Å |
| 870 | L | 95.9 | Very high | 92.2 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 24% | 0.241 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.3 | -43 | 177.9 | -170 | 65.3 | 0 | 0 | 0 | 111.2 | I866 G867 N872 S873 T960 R961 I964 | I866-L870 HydrophobicContact CG2-CB 4.24Å; I866-L870 HydrophobicContact CG2-CD2 4.36Å; I866-L870 WeakPolarHBondContact O-CB 3.25Å; G867-L870 PolarHBondContact O-N 3.03Å; L870-N872 PolarHBondContact O-N 3.28Å; L870-S873 WeakPolarHBondContact O-CB 3.36Å; L870-S873 PolarHBondContact O-N 3.42Å; L870-S873 PolarHBondContact O-OG 2.73Å; L870-T960 HydrophobicContact CD2-CG2 3.66Å; L870-R961 HydrophobicContact CD1-CB 4.05Å; L870-R961 HydrophobicContact CD1-CG 4.33Å; L870-I964 HydrophobicContact CD2-CD1 4Å; L870-I964 HydrophobicContact CG-CD1 4.2Å |
| 871 | A | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.3 | -50.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A827 I866 G867 S873 V874 W875 | A827-A871 HydrophobicContact CB-CB 4.11Å; I866-A871 HydrophobicContact CG2-CB 4.11Å; G867-A871 WeakPolarHBondContact O-CB 3.32Å; G867-A871 PolarHBondContact O-N 3.2Å; A871-S873 VanDerWaalsContact C-N 3.32Å; A871-S873 PolarHBondContact O-N 3.17Å; A871-V874 PolarHBondContact O-N 2.87Å; A871-V874 VanDerWaalsContact O-N 3.12Å; A871-W875 WeakPolarHBondContact O-CB 3.35Å; A871-W875 VanDerWaalsContact O-CD1 3.26Å; A871-W875 PolarHBondContact O-N 2.67Å |
| 872 | N | 95.5 | Very high | 88.5 | Confident | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.139 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.7 | -25.7 | 178.7 | -70.6 | -15.9 | 0 | 0 | 0 | 112.6 | A811 N868 L870 V874 E876 K913 K930 | A811-N872 PolarHBondContact O-ND2 2.75Å; N868-N872 VanDerWaalsContact O-CB 3.3Å; N868-N872 WeakPolarHBondContact O-CB 3.28Å; N868-N872 PolarHBondContact O-N 3.44Å; L870-N872 PolarHBondContact O-N 3.28Å; N872-V874 PolarHBondContact O-N 3.03Å; N872-E876 HydrophobicContact CB-CB 4.32Å; N872-E876 HydrophobicContact CB-CG 4.01Å; N872-E876 WeakPolarHBondContact CB-OE2 3.44Å; N872-E876 VanDerWaalsContact CG-CD 3.41Å; N872-E876 PolarHBondContact ND2-OE2 2.57Å; N872-E876 WeakPolarHBondContact O-CA 3.43Å; N872-E876 WeakPolarHBondContact O-CB 3.25Å; N872-E876 PolarHBondContact O-N 3.21Å; N872-E876 PolarHBondContact OD1-OE1 3.42Å; N872-K913 PolarHBondContact ND2-NZ 3.45Å; N872-K930 PolarHBondContact OD1-NZ 3.23Å |
| 873 | S | 94.4 | Very high | 85.5 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.9 | -11 | 170.2 | 85.6 | 0 | 0 | 0 | 0 | 114.2 | T869 L870 A871 A877 R961 | T869-S873 WeakPolarHBondContact O-CB 3.47Å; T869-S873 PolarHBondContact O-N 3.25Å; T869-S873 VanDerWaalsContact O-N 3.07Å; L870-S873 WeakPolarHBondContact O-CB 3.36Å; L870-S873 PolarHBondContact O-N 3.42Å; L870-S873 PolarHBondContact O-OG 2.73Å; A871-S873 VanDerWaalsContact C-N 3.32Å; A871-S873 PolarHBondContact O-N 3.17Å; S873-A877 WeakPolarHBondContact O-CB 3.42Å; S873-R961 VanDerWaalsContact O-CZ 3.31Å; S873-R961 PolarHBondContact O-NE 3.04Å; S873-R961 PolarHBondContact O-NH2 3.12Å; S873-R961 PolarHBondContact OG-NE 2.98Å |
| 874 | V | 94.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -111.7 | -55 | 171.6 | -178 | 0 | 0 | 0 | 0 | 110.5 | A871 N872 E876 A877 L937 P938 R961 I964 L965 | A871-V874 PolarHBondContact O-N 2.87Å; A871-V874 VanDerWaalsContact O-N 3.12Å; N872-V874 PolarHBondContact O-N 3.03Å; V874-E876 VanDerWaalsContact C-N 3.26Å; V874-E876 PolarHBondContact O-N 3.07Å; V874-A877 PolarHBondContact O-N 2.83Å; V874-L937 HydrophobicContact CG1-CD2 3.87Å; V874-P938 VanDerWaalsContact O-CD 3.32Å; V874-P938 WeakPolarHBondContact O-CD 3.31Å; V874-R961 HydrophobicContact CG2-CG 3.46Å; V874-R961 VanDerWaalsContact CG2-CG 3.46Å; V874-I964 HydrophobicContact CB-CG2 4.2Å; V874-I964 HydrophobicContact CG1-CG2 4.14Å; V874-I964 HydrophobicContact CG2-CB 4.38Å; V874-I964 HydrophobicContact CG2-CG2 4.2Å; V874-L965 HydrophobicContact CG1-CB 3.89Å; V874-L965 HydrophobicContact CG1-CD1 4.03Å |
| 875 | W | 95.3 | Very high | 79.4 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.9 | -6.9 | -173.9 | -69.8 | 105.9 | 0 | 0 | 0 | 115 | L825 A871 K930 Y931 R934 F936 L937 A968 | L825-W875 HydrophobicContact CD2-CH2 4.44Å; L825-W875 HydrophobicContact CD2-CZ2 3.6Å; A871-W875 WeakPolarHBondContact O-CB 3.35Å; A871-W875 VanDerWaalsContact O-CD1 3.26Å; A871-W875 PolarHBondContact O-N 2.67Å; W875-K930 HydrophobicContact CB-CG 4.26Å; W875-K930 VanDerWaalsContact CE3-O 3.28Å; W875-K930 WeakPolarHBondContact CZ3-O 3.38Å; W875-K930 WeakPolarHBondContact O-CG 3.21Å; W875-Y931 HydrophobicContact CB-CE1 4.05Å; W875-Y931 AromaticContact CD2-CD1 3.64Å; W875-Y931 HydrophobicContact CD2-CD1 3.64Å; W875-Y931 AromaticContact CD2-CE1 3.56Å; W875-Y931 HydrophobicContact CD2-CE1 3.56Å; W875-Y931 AromaticContact CE2-CE1 3.96Å; W875-Y931 AromaticContact CE3-CD1 3.52Å; W875-Y931 HydrophobicContact CE3-CD1 3.52Å; W875-Y931 AromaticContact CE3-CE1 3.9Å; W875-Y931 HydrophobicContact CE3-CE1 3.9Å; W875-Y931 HydrophobicContact CG-CD1 4.21Å; W875-Y931 AromaticContact CG-CE1 3.63Å; W875-Y931 HydrophobicContact CG-CE1 3.63Å; W875-Y931 HydrophobicContact CH2-CD1 4.15Å; W875-Y931 HydrophobicContact CZ2-CD1 4.26Å; W875-Y931 AromaticContact CZ3-CD1 3.79Å; W875-Y931 HydrophobicContact CZ3-CD1 3.79Å; W875-R934 HydrophobicContact CZ3-CG 4.36Å; W875-F936 WeakPolarHBondContact O-CB 3.45Å; W875-L937 HydrophobicContact CD2-CD2 4.13Å; W875-L937 HydrophobicContact CE3-CD2 3.75Å; W875-L937 HydrophobicContact CE3-CG 4.37Å; W875-L937 HydrophobicContact CZ3-CD1 4.46Å; W875-L937 HydrophobicContact CZ3-CD2 4.12Å; W875-L937 HydrophobicContact CZ3-CG 4.43Å; W875-A968 HydrophobicContact CH2-CB 3.56Å; W875-A968 HydrophobicContact CZ2-CB 3.53Å; W875-A968 HydrophobicContact CZ3-CB 4.27Å |
| 876 | E | 93.3 | Very high | 76.3 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 16% | 0.159 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | 15.6 | 175.8 | -53.3 | -176.5 | 162.5 | 0 | 0 | 111.4 | N872 V874 A878 A879 K913 W926 K930 | N872-E876 HydrophobicContact CB-CB 4.32Å; N872-E876 HydrophobicContact CB-CG 4.01Å; N872-E876 WeakPolarHBondContact CB-OE2 3.44Å; N872-E876 VanDerWaalsContact CG-CD 3.41Å; N872-E876 PolarHBondContact ND2-OE2 2.57Å; N872-E876 WeakPolarHBondContact O-CA 3.43Å; N872-E876 WeakPolarHBondContact O-CB 3.25Å; N872-E876 PolarHBondContact O-N 3.21Å; N872-E876 PolarHBondContact OD1-OE1 3.42Å; V874-E876 VanDerWaalsContact C-N 3.26Å; V874-E876 PolarHBondContact O-N 3.07Å; E876-A878 VanDerWaalsContact C-N 3.29Å; E876-A878 PolarHBondContact O-N 2.82Å; E876-A879 HydrophobicContact CB-CB 4.09Å; E876-A879 WeakPolarHBondContact O-CB 3.31Å; E876-A879 PolarHBondContact O-N 2.76Å; E876-A879 VanDerWaalsContact O-N 3.1Å; E876-K913 VanDerWaalsContact OE1-CE 3.3Å; E876-K913 WeakPolarHBondContact OE1-CE 3.42Å; E876-K913 IonicContact OE1-NZ 3.66Å; E876-K913 PolarHBondContact OE1-NZ 2.78Å; E876-K913 IonicContact OE2-NZ 3.28Å; E876-K913 PolarHBondContact OE2-NZ 3.36Å; E876-W926 HydrophobicContact CG-CZ2 4.17Å; E876-W926 WeakPolarHBondContact OE1-CZ2 3.37Å; E876-K930 HydrophobicContact CG-CD 4.19Å; E876-K930 WeakPolarHBondContact OE1-CE 3.45Å; E876-K930 IonicContact OE1-NZ 3.25Å; E876-K930 PolarHBondContact OE1-NZ 2.81Å |
| 877 | A | 89.5 | Confident | 73 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -26.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114 | S873 V874 F936 P938 | S873-A877 WeakPolarHBondContact O-CB 3.42Å; V874-A877 PolarHBondContact O-N 2.83Å; A877-F936 PolarHBondContact N-O 3.46Å; A877-P938 HydrophobicContact CB-CB 4.08Å; A877-P938 HydrophobicContact CB-CG 3.93Å |
| 878 | A | 85 | Confident | 69.9 | Low | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 13.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E876 F936 | E876-A878 VanDerWaalsContact C-N 3.29Å; E876-A878 PolarHBondContact O-N 2.82Å; A878-F936 PolarHBondContact N-O 2.8Å |
| 879 | A | 82.9 | Confident | 66.5 | Low | 19 Ų | 19 | 76.3 Ų | 76.3 | 16% | 0.157 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -68.8 | 146.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E876 V881 W926 F936 | E876-A879 HydrophobicContact CB-CB 4.09Å; E876-A879 WeakPolarHBondContact O-CB 3.31Å; E876-A879 PolarHBondContact O-N 2.76Å; E876-A879 VanDerWaalsContact O-N 3.1Å; A879-V881 PolarHBondContact O-N 3.04Å; A879-W926 HydrophobicContact CB-CH2 3.91Å; A879-F936 HydrophobicContact CB-CB 4.1Å; A879-F936 HydrophobicContact CB-CD1 4.25Å; A879-F936 HydrophobicContact CB-CD2 4.3Å; A879-F936 HydrophobicContact CB-CG 3.96Å |
| 880 | P | 68.4 | Low | 63.3 | Low | 51 Ų | 51 | 79.7 Ų | 79.7 | 33% | 0.331 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 122.9 | 177.7 | 26.5 | -34 | 0 | 0 | 0 | 110 | N882 I911 | P880-N882 PolarHBondContact O-N 3.46Å; P880-I911 WeakPolarHBondContact CG-O 3.43Å |
| 881 | V | 58.2 | Low | 60.1 | Low | 135 Ų | 135 | 89 Ų | 89 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 135.4 | -178.4 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | A879 A883 | A879-V881 PolarHBondContact O-N 3.04Å; V881-A883 PolarHBondContact O-N 3.43Å |
| 882 | N | 49.4 | Very low | 56.9 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | trans | -60.3 | 93 | 177.8 | -79.9 | -23.2 | 0 | 0 | 0 | 111 | P880 G884 | P880-N882 PolarHBondContact O-N 3.46Å; N882-G884 PolarHBondContact O-N 2.91Å | ||
| 883 | A | 33.5 | Very low | 53.6 | Low | 75 Ų | 75 | 102.3 Ų | 102.3 | 62% | 0.62 | 55% | 0.548 | S | S | * | . | trans | -72.4 | 69.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V881 N885 | V881-A883 PolarHBondContact O-N 3.43Å; A883-N885 VanDerWaalsContact C-N 3.28Å; A883-N885 PolarHBondContact O-N 2.84Å | ||
| 884 | G | 28.2 | Very low | 50.8 | Low | 70 Ų | 70 | 108.2 Ų | 108.2 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 76.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N882 | N882-G884 PolarHBondContact O-N 2.91Š|
| 885 | N | 29.7 | Very low | 47.7 | Very low | 155 Ų | 155 | 111.7 Ų | 111.7 | 83% | 0.829 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.2 | -12.1 | 151.7 | -99.6 | -25.6 | 0 | 0 | 0 | 114.3 | A883 R887 | A883-N885 VanDerWaalsContact C-N 3.28Å; A883-N885 PolarHBondContact O-N 2.84Å; N885-R887 PolarHBondContact O-N 3.02Å |
| 886 | L | 28.8 | Very low | 44.5 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 71% | 0.707 | 63% | 0.629 | S | S | * | * | trans | -69.3 | 97.7 | 170.7 | -80.5 | 166.9 | 0 | 0 | 0 | 110.1 | F888 | L886-F888 PolarHBondContact O-N 3.34Š| ||
| 887 | R | 25.5 | Very low | 41.7 | Very low | 239 Ų | 239 | 128.9 Ų | 128.9 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | trans | -69.7 | 64.2 | -177.2 | -70.5 | -176.8 | 169.7 | -174.4 | -1.6 | 113.3 | N885 S889 | N885-R887 PolarHBondContact O-N 3.02Å; R887-S889 PolarHBondContact O-N 2.75Å | ||
| 888 | F | 30.6 | Very low | 38.9 | Very low | 162 Ų | 162 | 135 Ų | 135 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -77.9 | 45.4 | 168.6 | -135.1 | -86.9 | 0 | 0 | 0 | 112.3 | L886 | L886-F888 PolarHBondContact O-N 3.34Š| ||
| 889 | S | 26.5 | Very low | 36.6 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -106.7 | 57.5 | -177.5 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | R887 | R887-S889 PolarHBondContact O-N 2.75Š| ||
| 890 | Q | 28.7 | Very low | 34.6 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -150 | 148.5 | 164.2 | -120.1 | 168.6 | 86.9 | 0 | 0 | 111.8 | F892 | Q890-F892 HydrophobicContact CB-CE2 4.46Å; Q890-F892 PolarHBondContact O-N 2.84Å |
| 891 | R | 27.8 | Very low | 33.1 | Very low | 242 Ų | 242 | 139.8 Ų | 139.8 | 91% | 0.913 | 68% | 0.682 | S | S | * | * | trans | -76.3 | 102.3 | -174.7 | -64.4 | 169.7 | 177.1 | 145.7 | -5 | 110.2 | ||||
| 892 | F | 29.6 | Very low | 32.3 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 60% | 0.596 | 66% | 0.656 | S | S | * | * | trans | -113.7 | 86.4 | 159.2 | -73.4 | -77.8 | 0 | 0 | 0 | 110.9 | Q890 F894 | Q890-F892 HydrophobicContact CB-CE2 4.46Å; Q890-F892 PolarHBondContact O-N 2.84Å; F892-F894 VanDerWaalsContact C-N 3.33Å; F892-F894 HydrophobicContact CB-CD2 3.77Å; F892-F894 HydrophobicContact CB-CE1 4.41Å; F892-F894 HydrophobicContact CB-CE2 3.38Å; F892-F894 HydrophobicContact CB-CG 4.45Å; F892-F894 HydrophobicContact CB-CZ 3.74Å; F892-F894 HydrophobicContact CD1-CZ 4.34Å; F892-F894 HydrophobicContact CG-CE2 4.23Å; F892-F894 HydrophobicContact CG-CZ 4.12Å; F892-F894 WeakPolarHBondContact O-CD2 3.18Å; F892-F894 PolarHBondContact O-N 2.94Å; F892-F894 VanDerWaalsContact O-N 3.09Å | ||
| 893 | H | 26.4 | Very low | 31.7 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.787 | 66% | 0.659 | S | S | * | * | trans | -66 | 96.3 | 157.1 | 168.8 | -77.2 | 0 | 0 | 0 | 106.9 | P895 | H893-P895 WeakPolarHBondContact O-CD 3.42Š| ||
| 894 | F | 34.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | trans | -88.9 | 97.1 | 176 | -75 | -72.1 | 0 | 0 | 0 | 110.5 | F892 | F892-F894 VanDerWaalsContact C-N 3.33Å; F892-F894 HydrophobicContact CB-CD2 3.77Å; F892-F894 HydrophobicContact CB-CE1 4.41Å; F892-F894 HydrophobicContact CB-CE2 3.38Å; F892-F894 HydrophobicContact CB-CG 4.45Å; F892-F894 HydrophobicContact CB-CZ 3.74Å; F892-F894 HydrophobicContact CD1-CZ 4.34Å; F892-F894 HydrophobicContact CG-CE2 4.23Å; F892-F894 HydrophobicContact CG-CZ 4.12Å; F892-F894 WeakPolarHBondContact O-CD2 3.18Å; F892-F894 PolarHBondContact O-N 2.94Å; F892-F894 VanDerWaalsContact O-N 3.09Å | ||
| 895 | P | 29 | Very low | 32.4 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 47% | 0.474 | 63% | 0.632 | S | S | . | * | trans | -70.8 | 155.4 | 156.7 | 35.3 | -35 | 0 | 0 | 0 | 108.8 | H893 | H893-P895 WeakPolarHBondContact O-CD 3.42Š| ||
| 896 | Y | 28.2 | Very low | 33 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 83% | 0.827 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 62.4 | 72.1 | 177.1 | -42.1 | -77.6 | 0 | 0 | 0 | 115.5 | ||
| 897 | F | 36.1 | Very low | 33.5 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | -168.3 | 114.8 | 124.9 | -111 | -76.7 | 0 | 0 | 0 | 108.5 | |||||
| 898 | Y | 30.3 | Very low | 34.2 | Very low | 178 Ų | 178 | 124.1 Ų | 124.1 | 70% | 0.698 | 58% | 0.579 | S | S | * | * | trans | -89.6 | 125 | -178.6 | -105.9 | -104.2 | 0 | 0 | 0 | 110.6 | V98 | V98-Y898 HydrophobicContact CG1-CD1 4.28Š| ||
| 899 | N | 36.5 | Very low | 34.8 | Very low | 71 Ų | 71 | 121 Ų | 121 | 38% | 0.38 | 57% | 0.568 | S | S | . | * | trans | -154.5 | 97 | 154.5 | -103.2 | -62.8 | 0 | 0 | 0 | 106.3 | L901 T902 F903 | N899-L901 PolarHBondContact O-N 2.84Å; N899-T902 VanDerWaalsContact CB-OG1 3.29Å; N899-T902 WeakPolarHBondContact CB-OG1 3.49Å; N899-T902 PolarHBondContact O-N 3.19Å; N899-T902 PolarHBondContact O-OG1 2.89Å; N899-T902 VanDerWaalsContact O-OG1 3.06Å; N899-F903 PolarHBondContact O-N 2.89Å | ||
| 900 | K | 39.7 | Very low | 36.1 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.4 | -22.3 | -179.2 | -132.9 | 174.8 | -176.6 | 176.4 | 0 | 111.4 | V98 F903 I904 | V98-K900 HydrophobicContact CB-CB 4.28Å; V98-K900 HydrophobicContact CG1-CB 3.81Å; V98-K900 HydrophobicContact CG1-CD 4.43Å; V98-K900 HydrophobicContact CG2-CB 3.41Å; V98-K900 VanDerWaalsContact CG2-CB 3.41Å; V98-K900 HydrophobicContact CG2-CD 3.85Å; V98-K900 HydrophobicContact CG2-CG 4.31Å; K900-F903 PolarHBondContact O-N 2.84Å; K900-I904 WeakPolarHBondContact O-CG1 3.39Å; K900-I904 PolarHBondContact O-N 2.79Å |
| 901 | L | 37.4 | Very low | 37.8 | Very low | 42 Ų | 42 | 114 Ų | 114 | 22% | 0.22 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.4 | -124.6 | 176.4 | 0 | 0 | 0 | 112.2 | H90 T94 N899 I904 V905 | H90-L901 WeakPolarHBondContact NE2-CG 3.19Å; T94-L901 HydrophobicContact CG2-CD1 3.81Å; T94-L901 HydrophobicContact CG2-CD2 3.83Å; T94-L901 HydrophobicContact CG2-CG 3.72Å; N899-L901 PolarHBondContact O-N 2.84Å; L901-I904 PolarHBondContact O-N 3.35Å; L901-I904 VanDerWaalsContact O-N 3.15Å; L901-V905 HydrophobicContact CD2-CG2 3.67Å; L901-V905 WeakPolarHBondContact O-CB 3.39Å; L901-V905 WeakPolarHBondContact O-CG2 3.46Å; L901-V905 PolarHBondContact O-N 2.89Å |
| 902 | T | 42.8 | Very low | 40.1 | Very low | 47 Ų | 47 | 109 Ų | 109 | 29% | 0.288 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 174.4 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | Y29 N899 I904 V905 I906 | Y29-T902 HydrophobicContact CE2-CG2 4.17Å; N899-T902 VanDerWaalsContact CB-OG1 3.29Å; N899-T902 WeakPolarHBondContact CB-OG1 3.49Å; N899-T902 PolarHBondContact O-N 3.19Å; N899-T902 PolarHBondContact O-OG1 2.89Å; N899-T902 VanDerWaalsContact O-OG1 3.06Å; T902-I904 PolarHBondContact O-N 2.74Å; T902-V905 PolarHBondContact O-N 3.41Å; T902-I906 HydrophobicContact CG2-CD1 4.16Å; T902-I906 WeakPolarHBondContact O-CB 3.4Å; T902-I906 VanDerWaalsContact O-CG1 3.25Å; T902-I906 WeakPolarHBondContact O-CG1 3.41Å; T902-I906 PolarHBondContact O-N 2.89Å |
| 903 | F | 36.7 | Very low | 42.9 | Very low | 146 Ų | 146 | 105.1 Ų | 105.1 | 64% | 0.64 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -19.5 | 173.2 | -160 | -95.4 | 0 | 0 | 0 | 113.6 | N899 K900 N907 | N899-F903 PolarHBondContact O-N 2.89Å; K900-F903 PolarHBondContact O-N 2.84Å; F903-N907 WeakPolarHBondContact CE1-ND2 3.25Å; F903-N907 WeakPolarHBondContact CZ-ND2 3.45Å; F903-N907 WeakPolarHBondContact O-CB 3.33Å; F903-N907 PolarHBondContact O-ND2 2.78Å |
| 904 | I | 37.7 | Very low | 46 | Very low | 91 Ų | 91 | 97.6 Ų | 97.6 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -91.4 | -46.3 | 173.8 | -70.9 | 166.9 | 0 | 0 | 0 | 111 | K900 L901 T902 L908 | K900-I904 WeakPolarHBondContact O-CG1 3.39Å; K900-I904 PolarHBondContact O-N 2.79Å; L901-I904 PolarHBondContact O-N 3.35Å; L901-I904 VanDerWaalsContact O-N 3.15Å; T902-I904 PolarHBondContact O-N 2.74Å; I904-L908 HydrophobicContact CG2-CD1 3.94Å; I904-L908 WeakPolarHBondContact O-CB 3.48Å; I904-L908 WeakPolarHBondContact O-CG 3.23Å; I904-L908 PolarHBondContact O-N 3.09Å |
| 905 | V | 38.6 | Very low | 48.7 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73 | -37.1 | -177.2 | 175.1 | 0 | 0 | 0 | 0 | 112.7 | L901 T902 L908 M909 | L901-V905 HydrophobicContact CD2-CG2 3.67Å; L901-V905 WeakPolarHBondContact O-CB 3.39Å; L901-V905 WeakPolarHBondContact O-CG2 3.46Å; L901-V905 PolarHBondContact O-N 2.89Å; T902-V905 PolarHBondContact O-N 3.41Å; V905-L908 PolarHBondContact O-N 3.35Å; V905-M909 WeakPolarHBondContact O-CG 3.43Å; V905-M909 PolarHBondContact O-N 2.83Å; V905-M909 VanDerWaalsContact O-N 3.09Å |
| 906 | I | 41.9 | Very low | 51.7 | Low | 74 Ų | 74 | 93.1 Ų | 93.1 | 38% | 0.379 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.8 | -37.7 | 176.7 | -59.8 | 175.6 | 0 | 0 | 0 | 110.6 | Y29 T902 M909 I910 | Y29-I906 HydrophobicContact CD2-CD1 4.33Å; T902-I906 HydrophobicContact CG2-CD1 4.16Å; T902-I906 WeakPolarHBondContact O-CB 3.4Å; T902-I906 VanDerWaalsContact O-CG1 3.25Å; T902-I906 WeakPolarHBondContact O-CG1 3.41Å; T902-I906 PolarHBondContact O-N 2.89Å; I906-M909 PolarHBondContact O-N 3.07Å; I906-I910 PolarHBondContact O-N 3.14Å |
| 907 | N | 38.3 | Very low | 54.7 | Low | 77 Ų | 77 | 88 Ų | 88 | 41% | 0.412 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 171.8 | -81.9 | -59.2 | 0 | 0 | 0 | 112.2 | F903 M909 I910 I911 | F903-N907 WeakPolarHBondContact CE1-ND2 3.25Å; F903-N907 WeakPolarHBondContact CZ-ND2 3.45Å; F903-N907 WeakPolarHBondContact O-CB 3.33Å; F903-N907 PolarHBondContact O-ND2 2.78Å; N907-M909 VanDerWaalsContact C-N 3.26Å; N907-M909 PolarHBondContact O-N 3.11Å; N907-I910 CarbonylContact O-C 3.55Å; N907-I910 PolarHBondContact O-N 2.86Å; N907-I911 WeakPolarHBondContact O-CG1 3.45Å; N907-I911 PolarHBondContact O-N 3.35Å; N907-I911 VanDerWaalsContact O-N 3.08Å |
| 908 | L | 40.1 | Very low | 57.2 | Low | 103 Ų | 103 | 79.7 Ų | 79.7 | 54% | 0.539 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -30.3 | 171.2 | -86.2 | 163.7 | 0 | 0 | 0 | 113.1 | I904 V905 | I904-L908 HydrophobicContact CG2-CD1 3.94Å; I904-L908 WeakPolarHBondContact O-CB 3.48Å; I904-L908 WeakPolarHBondContact O-CG 3.23Å; I904-L908 PolarHBondContact O-N 3.09Å; V905-L908 PolarHBondContact O-N 3.35Å |
| 909 | M | 44.6 | Very low | 60 | Low | 97 Ų | 97 | 73.3 Ų | 73.3 | 48% | 0.478 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -83.6 | -20.6 | 179.6 | -72 | -121.1 | 173.2 | 0 | 0 | 114.4 | P26 V905 I906 N907 | P26-M909 HydrophobicContact CB-SD 4.43Å; P26-M909 HydrophobicContact CG-CE 4.42Å; P26-M909 HydrophobicContact CG-CG 4.37Å; P26-M909 HydrophobicContact CG-SD 3.9Å; V905-M909 WeakPolarHBondContact O-CG 3.43Å; V905-M909 PolarHBondContact O-N 2.83Å; V905-M909 VanDerWaalsContact O-N 3.09Å; I906-M909 PolarHBondContact O-N 3.07Å; N907-M909 VanDerWaalsContact C-N 3.26Å; N907-M909 PolarHBondContact O-N 3.11Å |
| 910 | I | 52.9 | Low | 62.6 | Low | 89 Ų | 89 | 72.2 Ų | 72.2 | 46% | 0.456 | 37% | 0.373 | S | S | . | . | trans | -140.7 | 62.3 | 172.8 | -38 | 178.4 | 0 | 0 | 0 | 111.5 | I906 N907 R912 | I906-I910 PolarHBondContact O-N 3.14Å; N907-I910 CarbonylContact O-C 3.55Å; N907-I910 PolarHBondContact O-N 2.86Å; I910-R912 HydrophobicContact CG2-CG 3.89Å; I910-R912 PolarHBondContact O-N 2.9Å | ||
| 911 | I | 64.4 | Low | 64.9 | Low | 22 Ų | 22 | 72.7 Ų | 72.7 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | trans | -64.6 | 102.3 | 166.1 | -47.8 | 179.5 | 0 | 0 | 0 | 107.5 | P880 N907 V925 W926 A929 E935 F936 | P880-I911 WeakPolarHBondContact CG-O 3.43Å; N907-I911 WeakPolarHBondContact O-CG1 3.45Å; N907-I911 PolarHBondContact O-N 3.35Å; N907-I911 VanDerWaalsContact O-N 3.08Å; I911-V925 HydrophobicContact CG2-CG1 4.45Å; I911-W926 HydrophobicContact CG2-CE3 3.85Å; I911-W926 HydrophobicContact CG2-CZ3 4.42Å; I911-W926 WeakPolarHBondContact O-CZ3 3.46Å; I911-A929 HydrophobicContact CD1-CB 3.94Å; I911-E935 VanDerWaalsContact CD1-OE2 3.3Å; I911-E935 WeakPolarHBondContact CD1-OE2 3.34Å; I911-F936 HydrophobicContact CB-CZ 4.2Å; I911-F936 HydrophobicContact CD1-CE1 4.27Å; I911-F936 HydrophobicContact CD1-CZ 4.15Å; I911-F936 HydrophobicContact CG2-CZ 4.21Å | ||
| 912 | R | 75.6 | Confident | 67.3 | Low | 139 Ų | 139 | 76 Ų | 76 | 53% | 0.525 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 147.9 | 178.2 | -68.8 | -175.2 | 177.8 | 153.7 | 2.4 | 111 | I910 | I910-R912 HydrophobicContact CG2-CG 3.89Å; I910-R912 PolarHBondContact O-N 2.9Å |
| 913 | K | 88.9 | Confident | 69.7 | Low | 53 Ų | 53 | 74 Ų | 74 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 126 | 173 | -171.3 | 165.1 | -173.3 | 166.9 | 0 | 109.8 | A811 D812 N872 E876 W926 | A811-K913 WeakPolarHBondContact O-CE 3.29Å; A811-K913 PolarHBondContact O-NZ 3.21Å; D812-K913 WeakPolarHBondContact O-CE 3.38Å; D812-K913 WeakPolarHBondContact O-CG 3.42Å; N872-K913 PolarHBondContact ND2-NZ 3.45Å; E876-K913 VanDerWaalsContact OE1-CE 3.3Å; E876-K913 WeakPolarHBondContact OE1-CE 3.42Å; E876-K913 IonicContact OE1-NZ 3.66Å; E876-K913 PolarHBondContact OE1-NZ 2.78Å; E876-K913 IonicContact OE2-NZ 3.28Å; E876-K913 PolarHBondContact OE2-NZ 3.36Å; K913-W926 HydrophobicContact CB-CE3 4.43Å; K913-W926 HydrophobicContact CB-CH2 3.64Å; K913-W926 HydrophobicContact CB-CZ2 3.79Å; K913-W926 HydrophobicContact CB-CZ3 3.99Å; K913-W926 HydrophobicContact CD-CH2 4.38Å; K913-W926 HydrophobicContact CD-CZ2 3.85Å; K913-W926 HydrophobicContact CG-CH2 4.03Å; K913-W926 HydrophobicContact CG-CZ2 3.62Å |
| 914 | P | 91.3 | Very high | 72.4 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 156.8 | 179.4 | 27.9 | -34.9 | 0 | 0 | 0 | 111.1 | C813 K923 W926 | C813-P914 CarbonylContact C-O 3.53Å; C813-P914 WeakPolarHBondContact CA-O 3.44Å; C813-P914 HydrophobicContact CB-CB 4.34Å; C813-P914 HydrophobicContact CB-CG 4.05Å; P914-K923 HydrophobicContact CB-CG 3.77Å; P914-K923 HydrophobicContact CG-CG 3.93Å; P914-W926 VanDerWaalsContact CD-CD2 3.49Å; P914-W926 HydrophobicContact CG-CB 3.95Å; P914-W926 HydrophobicContact CG-CG 3.89Å |
| 915 | D | 91 | Very high | 74.8 | Confident | 72 Ų | 72 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -99 | 173.6 | 174.7 | 79.2 | 82.9 | 0 | 0 | 0 | 111 | C813 S917 S918 K923 | C813-D915 CarbonylContact O-C 3.58Å; C813-D915 VanDerWaalsContact O-C 3.23Å; D915-S917 PolarHBondContact O-N 3.26Å; D915-S917 VanDerWaalsContact O-N 3.15Å; D915-S917 VanDerWaalsContact OD1-CA 3.31Å; D915-S917 WeakPolarHBondContact OD1-CA 3.2Å; D915-S917 VanDerWaalsContact OD1-CB 3.3Å; D915-S917 WeakPolarHBondContact OD1-CB 3.41Å; D915-S917 PolarHBondContact OD1-N 3.27Å; D915-S917 PolarHBondContact OD1-OG 3.14Å; D915-S918 PolarHBondContact N-OG 2.81Å; D915-S918 PolarHBondContact O-N 2.88Å; D915-S918 PolarHBondContact O-OG 3.44Å; D915-S918 VanDerWaalsContact O-OG 3.12Å; D915-S918 PolarHBondContact OD1-N 3.31Å; D915-S918 PolarHBondContact OD2-N 3.34Å; D915-S918 PolarHBondContact OD2-OG 3.49Å; D915-K923 WeakPolarHBondContact O-CE 3.36Å; D915-K923 PolarHBondContact O-NZ 2.76Å |
| 916 | P | 92.3 | Very high | 77.4 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.8 | -178.4 | -24.8 | 35.5 | 0 | 0 | 0 | 113.8 | C813 A815 K923 | C813-P916 WeakPolarHBondContact O-CD 3.13Å; C813-P916 VanDerWaalsContact O-N 3.14Å; A815-P916 HydrophobicContact CB-CB 3.92Å; A815-P916 HydrophobicContact CB-CG 4.26Å; P916-K923 VanDerWaalsContact C-NZ 3.26Å; P916-K923 PolarHBondContact O-NZ 2.95Å |
| 917 | S | 90.8 | Very high | 79.9 | Confident | 104 Ų | 104 | 63.3 Ų | 63.3 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.6 | -175.5 | 75.3 | 0 | 0 | 0 | 0 | 115.8 | D915 | D915-S917 PolarHBondContact O-N 3.26Å; D915-S917 VanDerWaalsContact O-N 3.15Å; D915-S917 VanDerWaalsContact OD1-CA 3.31Å; D915-S917 WeakPolarHBondContact OD1-CA 3.2Å; D915-S917 VanDerWaalsContact OD1-CB 3.3Å; D915-S917 WeakPolarHBondContact OD1-CB 3.41Å; D915-S917 PolarHBondContact OD1-N 3.27Å; D915-S917 PolarHBondContact OD1-OG 3.14Å |
| 918 | S | 89.4 | Confident | 82.6 | Confident | 19 Ų | 19 | 63 Ų | 63 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -55.4 | 159 | 178.5 | -21.5 | 0 | 0 | 0 | 0 | 113 | D915 E922 K923 | D915-S918 PolarHBondContact N-OG 2.81Å; D915-S918 PolarHBondContact O-N 2.88Å; D915-S918 PolarHBondContact O-OG 3.44Å; D915-S918 VanDerWaalsContact O-OG 3.12Å; D915-S918 PolarHBondContact OD1-N 3.31Å; D915-S918 PolarHBondContact OD2-N 3.34Å; D915-S918 PolarHBondContact OD2-OG 3.49Å; S918-E922 WeakPolarHBondContact CB-OE2 3.07Å; S918-K923 PolarHBondContact O-NZ 3.18Å |
| 919 | S | 90.1 | Very high | 85 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | trans | -59 | 166.2 | -179.3 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | E921 E922 K923 | S919-E921 WeakPolarHBondContact CB-OE2 3.37Å; S919-E921 PolarHBondContact O-N 3.31Å; S919-E922 WeakPolarHBondContact CB-OE2 3.36Å; S919-E922 PolarHBondContact N-OE2 3.38Å; S919-E922 WeakPolarHBondContact OG-CB 3.4Å; S919-E922 VanDerWaalsContact OG-CD 3.22Å; S919-E922 VanDerWaalsContact OG-CG 3.23Å; S919-E922 WeakPolarHBondContact OG-CG 3.18Å; S919-E922 PolarHBondContact OG-N 3.05Å; S919-E922 PolarHBondContact OG-OE2 3.47Å; S919-K923 WeakPolarHBondContact O-CD 3.38Å; S919-K923 WeakPolarHBondContact O-CG 3.25Å; S919-K923 PolarHBondContact O-N 2.8Å | ||
| 920 | R | 90.8 | Very high | 87.3 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 18% | 0.181 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 172.8 | 179.1 | -176.7 | -179.6 | 77.8 | 12.3 | 110 | G835 I836 K923 E924 | G835-R920 PolarHBondContact O-NH2 3.39Å; I836-R920 HydrophobicContact CD1-CG 4.31Å; I836-R920 HydrophobicContact CG1-CG 4.48Å; R920-K923 CarbonylContact O-C 3.56Å; R920-K923 PolarHBondContact O-N 2.86Å; R920-E924 WeakPolarHBondContact O-CB 3.31Å; R920-E924 PolarHBondContact O-N 2.75Å |
| 921 | E | 88.1 | Confident | 89.4 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 58% | 0.579 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.6 | -47 | -172.9 | -65.2 | 63.6 | -146 | 0 | 0 | 110.7 | S919 K923 E924 V925 | S919-E921 WeakPolarHBondContact CB-OE2 3.37Å; S919-E921 PolarHBondContact O-N 3.31Å; E921-K923 PolarHBondContact O-N 2.82Å; E921-E924 PolarHBondContact O-N 2.86Å; E921-V925 WeakPolarHBondContact O-CG2 3.47Å; E921-V925 PolarHBondContact O-N 3.07Å |
| 922 | E | 87.3 | Confident | 90.7 | Very high | 112 Ų | 112 | 52.1 Ų | 52.1 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 172.5 | -69.9 | 157.2 | 134.7 | 0 | 0 | 111.6 | S918 S919 E924 V925 W926 | S918-E922 WeakPolarHBondContact CB-OE2 3.07Å; S919-E922 WeakPolarHBondContact CB-OE2 3.36Å; S919-E922 PolarHBondContact N-OE2 3.38Å; S919-E922 WeakPolarHBondContact OG-CB 3.4Å; S919-E922 VanDerWaalsContact OG-CD 3.22Å; S919-E922 VanDerWaalsContact OG-CG 3.23Å; S919-E922 WeakPolarHBondContact OG-CG 3.18Å; S919-E922 PolarHBondContact OG-N 3.05Å; S919-E922 PolarHBondContact OG-OE2 3.47Å; E922-E924 VanDerWaalsContact C-N 3.3Å; E922-E924 PolarHBondContact O-N 3.45Å; E922-V925 PolarHBondContact O-N 2.77Å; E922-W926 PolarHBondContact O-N 2.89Å |
| 923 | K | 92.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -36 | 174.9 | -75.8 | 168.3 | 172.3 | 130.2 | 0 | 112 | C813 I836 P914 D915 P916 S918 S919 R920 E921 I927 | C813-K923 HydrophobicContact CB-CD 4.39Å; C813-K923 HydrophobicContact CB-CG 4.45Å; I836-K923 HydrophobicContact CD1-CB 3.68Å; P914-K923 HydrophobicContact CB-CG 3.77Å; P914-K923 HydrophobicContact CG-CG 3.93Å; D915-K923 WeakPolarHBondContact O-CE 3.36Å; D915-K923 PolarHBondContact O-NZ 2.76Å; P916-K923 VanDerWaalsContact C-NZ 3.26Å; P916-K923 PolarHBondContact O-NZ 2.95Å; S918-K923 PolarHBondContact O-NZ 3.18Å; S919-K923 WeakPolarHBondContact O-CD 3.38Å; S919-K923 WeakPolarHBondContact O-CG 3.25Å; S919-K923 PolarHBondContact O-N 2.8Å; R920-K923 CarbonylContact O-C 3.56Å; R920-K923 PolarHBondContact O-N 2.86Å; E921-K923 PolarHBondContact O-N 2.82Å; K923-I927 VanDerWaalsContact O-CB 3.25Å; K923-I927 WeakPolarHBondContact O-CB 3.38Å; K923-I927 WeakPolarHBondContact O-CD1 3.4Å; K923-I927 WeakPolarHBondContact O-CG1 3.47Å; K923-I927 PolarHBondContact O-N 3.07Å |
| 924 | E | 93.8 | Very high | 91.5 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | 178.5 | -175.9 | 165.3 | 161.4 | 0 | 0 | 112.3 | I836 R920 E921 E922 I927 R928 | I836-E924 HydrophobicContact CD1-CB 4.15Å; I836-E924 HydrophobicContact CG1-CB 4.46Å; I836-E924 HydrophobicContact CG2-CB 4.1Å; I836-E924 HydrophobicContact CG2-CG 3.93Å; R920-E924 WeakPolarHBondContact O-CB 3.31Å; R920-E924 PolarHBondContact O-N 2.75Å; E921-E924 PolarHBondContact O-N 2.86Å; E922-E924 VanDerWaalsContact C-N 3.3Å; E922-E924 PolarHBondContact O-N 3.45Å; E924-I927 PolarHBondContact O-N 2.85Å; E924-R928 HydrophobicContact CG-CG 4.35Å; E924-R928 WeakPolarHBondContact O-CB 3.32Å; E924-R928 VanDerWaalsContact O-CG 3.27Å; E924-R928 WeakPolarHBondContact O-CG 3.49Å; E924-R928 PolarHBondContact O-N 3.37Å; E924-R928 IonicContact OE1-CZ 3.64Å; E924-R928 VanDerWaalsContact OE1-CZ 3.23Å; E924-R928 IonicContact OE1-NE 2.7Å; E924-R928 PolarHBondContact OE1-NE 3.35Å; E924-R928 IonicContact OE1-NH2 3.64Å; E924-R928 PolarHBondContact OE1-NH2 2.72Å |
| 925 | V | 88.8 | Confident | 91.4 | Very high | 88 Ų | 88 | 56 Ų | 56 | 53% | 0.533 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.6 | -51.4 | 171.5 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | I911 E921 E922 I927 R928 A929 | I911-V925 HydrophobicContact CG2-CG1 4.45Å; E921-V925 WeakPolarHBondContact O-CG2 3.47Å; E921-V925 PolarHBondContact O-N 3.07Å; E922-V925 PolarHBondContact O-N 2.77Å; V925-I927 PolarHBondContact O-N 3.33Å; V925-R928 PolarHBondContact O-N 2.88Å; V925-A929 WeakPolarHBondContact O-CB 3.44Å; V925-A929 PolarHBondContact O-N 2.98Å |
| 926 | W | 92.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 178 | 177.1 | -96.3 | 0 | 0 | 0 | 112.7 | D812 E876 A879 I911 K913 P914 E922 R928 A929 K930 F936 | D812-W926 PolarHBondContact O-NE1 3.34Å; E876-W926 HydrophobicContact CG-CZ2 4.17Å; E876-W926 WeakPolarHBondContact OE1-CZ2 3.37Å; A879-W926 HydrophobicContact CB-CH2 3.91Å; I911-W926 HydrophobicContact CG2-CE3 3.85Å; I911-W926 HydrophobicContact CG2-CZ3 4.42Å; I911-W926 WeakPolarHBondContact O-CZ3 3.46Å; K913-W926 HydrophobicContact CB-CE3 4.43Å; K913-W926 HydrophobicContact CB-CH2 3.64Å; K913-W926 HydrophobicContact CB-CZ2 3.79Å; K913-W926 HydrophobicContact CB-CZ3 3.99Å; K913-W926 HydrophobicContact CD-CH2 4.38Å; K913-W926 HydrophobicContact CD-CZ2 3.85Å; K913-W926 HydrophobicContact CG-CH2 4.03Å; K913-W926 HydrophobicContact CG-CZ2 3.62Å; P914-W926 VanDerWaalsContact CD-CD2 3.49Å; P914-W926 HydrophobicContact CG-CB 3.95Å; P914-W926 HydrophobicContact CG-CG 3.89Å; E922-W926 PolarHBondContact O-N 2.89Å; W926-R928 VanDerWaalsContact C-N 3.34Å; W926-R928 PolarHBondContact O-N 2.69Å; W926-A929 PolarHBondContact O-N 3.28Å; W926-K930 WeakPolarHBondContact O-CB 3.27Å; W926-K930 PolarHBondContact O-N 3.21Å; W926-F936 HydrophobicContact CD2-CE2 4.02Å; W926-F936 AromaticContact CE3-CE2 3.76Å; W926-F936 HydrophobicContact CE3-CE2 3.76Å; W926-F936 AromaticContact CE3-CZ 3.97Å; W926-F936 HydrophobicContact CE3-CZ 3.97Å; W926-F936 HydrophobicContact CH2-CD2 4.26Å; W926-F936 AromaticContact CH2-CE2 3.9Å; W926-F936 HydrophobicContact CH2-CE2 3.9Å; W926-F936 HydrophobicContact CH2-CZ 4.44Å; W926-F936 HydrophobicContact CZ2-CD2 4.41Å; W926-F936 HydrophobicContact CZ2-CE2 4.15Å; W926-F936 HydrophobicContact CZ3-CD2 4.46Å; W926-F936 AromaticContact CZ3-CE2 3.68Å; W926-F936 HydrophobicContact CZ3-CE2 3.68Å; W926-F936 AromaticContact CZ3-CZ 3.86Å; W926-F936 HydrophobicContact CZ3-CZ 3.86Å |
| 927 | I | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -34.4 | -176.7 | -74.1 | 167 | 0 | 0 | 0 | 111.8 | D812 C833 I836 L840 K923 E924 V925 Y931 | D812-I927 HydrophobicContact CB-CD1 4.18Å; D812-I927 HydrophobicContact CB-CG1 3.97Å; C833-I927 HydrophobicContact CB-CD1 3.77Å; I836-I927 HydrophobicContact CB-CD1 4.06Å; I836-I927 HydrophobicContact CB-CG2 4.44Å; I836-I927 HydrophobicContact CD1-CD1 3.91Å; I836-I927 HydrophobicContact CG2-CB 4.03Å; I836-I927 HydrophobicContact CG2-CD1 4.14Å; I836-I927 HydrophobicContact CG2-CG2 3.66Å; L840-I927 HydrophobicContact CD1-CG2 3.84Å; L840-I927 HydrophobicContact CG-CG2 4.44Å; K923-I927 VanDerWaalsContact O-CB 3.25Å; K923-I927 WeakPolarHBondContact O-CB 3.38Å; K923-I927 WeakPolarHBondContact O-CD1 3.4Å; K923-I927 WeakPolarHBondContact O-CG1 3.47Å; K923-I927 PolarHBondContact O-N 3.07Å; E924-I927 PolarHBondContact O-N 2.85Å; V925-I927 PolarHBondContact O-N 3.33Å; I927-Y931 HydrophobicContact CG2-CD2 4.22Å; I927-Y931 PolarHBondContact O-N 2.72Å |
| 928 | R | 93.6 | Very high | 91.2 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -70.6 | -48 | 173.5 | -71.8 | -179.6 | -176.1 | -82.1 | 5.6 | 111.8 | L840 E924 V925 W926 K930 Q932 H933 | L840-R928 HydrophobicContact CD2-CG 3.99Å; E924-R928 HydrophobicContact CG-CG 4.35Å; E924-R928 WeakPolarHBondContact O-CB 3.32Å; E924-R928 VanDerWaalsContact O-CG 3.27Å; E924-R928 WeakPolarHBondContact O-CG 3.49Å; E924-R928 PolarHBondContact O-N 3.37Å; E924-R928 IonicContact OE1-CZ 3.64Å; E924-R928 VanDerWaalsContact OE1-CZ 3.23Å; E924-R928 IonicContact OE1-NE 2.7Å; E924-R928 PolarHBondContact OE1-NE 3.35Å; E924-R928 IonicContact OE1-NH2 3.64Å; E924-R928 PolarHBondContact OE1-NH2 2.72Å; V925-R928 PolarHBondContact O-N 2.88Å; W926-R928 VanDerWaalsContact C-N 3.34Å; W926-R928 PolarHBondContact O-N 2.69Å; R928-K930 VanDerWaalsContact C-N 3.32Å; R928-K930 PolarHBondContact O-N 2.89Å; R928-Q932 HydrophobicContact CB-CB 4.43Å; R928-Q932 WeakPolarHBondContact O-CA 3.5Å; R928-Q932 VanDerWaalsContact O-CB 3.29Å; R928-Q932 WeakPolarHBondContact O-CB 3.34Å; R928-Q932 PolarHBondContact O-N 3.43Å; R928-H933 PolarHBondContact O-N 2.78Å |
| 929 | A | 90.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -54.8 | -49.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I911 V925 W926 R934 E935 F936 | I911-A929 HydrophobicContact CD1-CB 3.94Å; V925-A929 WeakPolarHBondContact O-CB 3.44Å; V925-A929 PolarHBondContact O-N 2.98Å; W926-A929 PolarHBondContact O-N 3.28Å; A929-R934 PolarHBondContact O-N 2.87Å; A929-E935 WeakPolarHBondContact CA-OE1 3.39Å; A929-E935 HydrophobicContact CB-CB 4.46Å; A929-E935 HydrophobicContact CB-CG 4.45Å; A929-E935 WeakPolarHBondContact CB-OE2 3.49Å; A929-E935 PolarHBondContact O-N 3Å; A929-F936 HydrophobicContact CB-CE1 4.35Å; A929-F936 HydrophobicContact CB-CE2 4Å; A929-F936 HydrophobicContact CB-CZ 3.62Å |
| 930 | K | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -60.6 | -53.3 | 179.9 | -173.6 | 170.8 | 178.6 | -173.2 | 0 | 113.7 | A811 D812 N872 W875 E876 W926 R928 F936 | A811-K930 PolarHBondContact O-NZ 3.37Å; D812-K930 IonicContact OD1-NZ 3.86Å; D812-K930 PolarHBondContact OD1-NZ 2.88Å; N872-K930 PolarHBondContact OD1-NZ 3.23Å; W875-K930 HydrophobicContact CB-CG 4.26Å; W875-K930 VanDerWaalsContact CE3-O 3.28Å; W875-K930 WeakPolarHBondContact CZ3-O 3.38Å; W875-K930 WeakPolarHBondContact O-CG 3.21Å; E876-K930 HydrophobicContact CG-CD 4.19Å; E876-K930 WeakPolarHBondContact OE1-CE 3.45Å; E876-K930 IonicContact OE1-NZ 3.25Å; E876-K930 PolarHBondContact OE1-NZ 2.81Å; W926-K930 WeakPolarHBondContact O-CB 3.27Å; W926-K930 PolarHBondContact O-N 3.21Å; R928-K930 VanDerWaalsContact C-N 3.32Å; R928-K930 PolarHBondContact O-N 2.89Å; K930-F936 HydrophobicContact CB-CD2 3.88Å; K930-F936 HydrophobicContact CB-CE2 3.95Å; K930-F936 HydrophobicContact CG-CD2 4.21Å |
| 931 | Y | 95.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -110.6 | -31 | -167.8 | -62.7 | -64.6 | 0 | 0 | 0 | 115.6 | D812 L825 H837 W875 I927 | D812-Y931 VanDerWaalsContact OD1-CE2 3.31Å; D812-Y931 WeakPolarHBondContact OD1-CE2 3.3Å; D812-Y931 PolarHBondContact OD1-OH 3.47Å; L825-Y931 HydrophobicContact CD1-CD1 3.82Å; L825-Y931 HydrophobicContact CD1-CE1 3.61Å; L825-Y931 HydrophobicContact CD1-CE2 4.46Å; L825-Y931 HydrophobicContact CD1-CG 4.34Å; L825-Y931 HydrophobicContact CD2-CD1 4.28Å; L825-Y931 HydrophobicContact CD2-CE1 4.28Å; L825-Y931 HydrophobicContact CG-CE1 4.46Å; H837-Y931 AromaticContact CE1-CD2 3.59Å; H837-Y931 AromaticContact CE1-CE2 3.29Å; H837-Y931 WeakPolarHBondContact CE1-CE2 3.49Å; H837-Y931 AromaticContact CE1-CZ 3.98Å; H837-Y931 AromaticContact NE2-CD2 3.74Å; H837-Y931 AromaticContact NE2-CE2 3.42Å; H837-Y931 WeakPolarHBondContact NE2-CE2 3.34Å; W875-Y931 HydrophobicContact CB-CE1 4.05Å; W875-Y931 AromaticContact CD2-CD1 3.64Å; W875-Y931 HydrophobicContact CD2-CD1 3.64Å; W875-Y931 AromaticContact CD2-CE1 3.56Å; W875-Y931 HydrophobicContact CD2-CE1 3.56Å; W875-Y931 AromaticContact CE2-CE1 3.96Å; W875-Y931 AromaticContact CE3-CD1 3.52Å; W875-Y931 HydrophobicContact CE3-CD1 3.52Å; W875-Y931 AromaticContact CE3-CE1 3.9Å; W875-Y931 HydrophobicContact CE3-CE1 3.9Å; W875-Y931 HydrophobicContact CG-CD1 4.21Å; W875-Y931 AromaticContact CG-CE1 3.63Å; W875-Y931 HydrophobicContact CG-CE1 3.63Å; W875-Y931 HydrophobicContact CH2-CD1 4.15Å; W875-Y931 HydrophobicContact CZ2-CD1 4.26Å; W875-Y931 AromaticContact CZ3-CD1 3.79Å; W875-Y931 HydrophobicContact CZ3-CD1 3.79Å; I927-Y931 HydrophobicContact CG2-CD2 4.22Å; I927-Y931 PolarHBondContact O-N 2.72Å |
| 932 | Q | 92.5 | Very high | 91 | Very high | 78 Ų | 78 | 52.5 Ų | 52.5 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -87.6 | -48.6 | -179 | -173.1 | -173.2 | -24.8 | 0 | 0 | 111.2 | L840 I844 R928 | L840-Q932 HydrophobicContact CD2-CB 4.4Å; I844-Q932 HydrophobicContact CD1-CB 4.29Å; I844-Q932 HydrophobicContact CD1-CG 4.1Å; R928-Q932 HydrophobicContact CB-CB 4.43Å; R928-Q932 WeakPolarHBondContact O-CA 3.5Å; R928-Q932 VanDerWaalsContact O-CB 3.29Å; R928-Q932 WeakPolarHBondContact O-CB 3.34Å; R928-Q932 PolarHBondContact O-N 3.43Å |
| 933 | H | 89.8 | Confident | 90.8 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -89.1 | -22.9 | 180 | -50.1 | 160.4 | 0 | 0 | 0 | 112.4 | R928 E935 | R928-H933 PolarHBondContact O-N 2.78Å; H933-E935 VanDerWaalsContact C-N 3.3Å; H933-E935 HydrophobicContact CB-CG 3.8Å; H933-E935 WeakPolarHBondContact CB-OE1 3.35Å; H933-E935 IonicContact CE1-OE1 2.79Å; H933-E935 IonicContact CG-OE1 2.68Å; H933-E935 IonicContact ND1-OE1 3.45Å; H933-E935 PolarHBondContact ND1-OE1 3.48Å; H933-E935 PolarHBondContact O-N 3.08Å |
| 934 | R | 92 | Very high | 90.5 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | trans | 67.3 | 26.8 | 176.9 | -47.2 | 174.7 | -179.1 | 175.4 | -8.4 | 113.7 | W875 A929 F936 L937 A968 | W875-R934 HydrophobicContact CZ3-CG 4.36Å; A929-R934 PolarHBondContact O-N 2.87Å; R934-F936 PolarHBondContact O-N 3.33Å; R934-F936 VanDerWaalsContact O-N 3.15Å; R934-L937 HydrophobicContact CB-CD1 3.77Å; R934-L937 HydrophobicContact CB-CG 4.09Å; R934-L937 HydrophobicContact CG-CD1 4.35Å; R934-L937 PolarHBondContact O-N 3.31Å; R934-A968 PolarHBondContact NE-O 3.16Å; R934-A968 PolarHBondContact NH1-O 2.93Å; R934-A968 PolarHBondContact NH2-O 3.46Å | ||
| 935 | E | 87.6 | Confident | 90.2 | Very high | 77 Ų | 77 | 59.2 Ų | 59.2 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.4 | -171.5 | -71.5 | 165.3 | -138.3 | 0 | 0 | 113.7 | I911 A929 H933 | I911-E935 VanDerWaalsContact CD1-OE2 3.3Å; I911-E935 WeakPolarHBondContact CD1-OE2 3.34Å; A929-E935 WeakPolarHBondContact CA-OE1 3.39Å; A929-E935 HydrophobicContact CB-CB 4.46Å; A929-E935 HydrophobicContact CB-CG 4.45Å; A929-E935 WeakPolarHBondContact CB-OE2 3.49Å; A929-E935 PolarHBondContact O-N 3Å; H933-E935 VanDerWaalsContact C-N 3.3Å; H933-E935 HydrophobicContact CB-CG 3.8Å; H933-E935 WeakPolarHBondContact CB-OE1 3.35Å; H933-E935 IonicContact CE1-OE1 2.79Å; H933-E935 IonicContact CG-OE1 2.68Å; H933-E935 IonicContact ND1-OE1 3.45Å; H933-E935 PolarHBondContact ND1-OE1 3.48Å; H933-E935 PolarHBondContact O-N 3.08Å |
| 936 | F | 90.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 8.2 | -174.6 | -44.4 | -38.3 | 0 | 0 | 0 | 114.2 | W875 A877 A878 A879 I911 W926 A929 K930 R934 | W875-F936 WeakPolarHBondContact O-CB 3.45Å; A877-F936 PolarHBondContact N-O 3.46Å; A878-F936 PolarHBondContact N-O 2.8Å; A879-F936 HydrophobicContact CB-CB 4.1Å; A879-F936 HydrophobicContact CB-CD1 4.25Å; A879-F936 HydrophobicContact CB-CD2 4.3Å; A879-F936 HydrophobicContact CB-CG 3.96Å; I911-F936 HydrophobicContact CB-CZ 4.2Å; I911-F936 HydrophobicContact CD1-CE1 4.27Å; I911-F936 HydrophobicContact CD1-CZ 4.15Å; I911-F936 HydrophobicContact CG2-CZ 4.21Å; W926-F936 HydrophobicContact CD2-CE2 4.02Å; W926-F936 AromaticContact CE3-CE2 3.76Å; W926-F936 HydrophobicContact CE3-CE2 3.76Å; W926-F936 AromaticContact CE3-CZ 3.97Å; W926-F936 HydrophobicContact CE3-CZ 3.97Å; W926-F936 HydrophobicContact CH2-CD2 4.26Å; W926-F936 AromaticContact CH2-CE2 3.9Å; W926-F936 HydrophobicContact CH2-CE2 3.9Å; W926-F936 HydrophobicContact CH2-CZ 4.44Å; W926-F936 HydrophobicContact CZ2-CD2 4.41Å; W926-F936 HydrophobicContact CZ2-CE2 4.15Å; W926-F936 HydrophobicContact CZ3-CD2 4.46Å; W926-F936 AromaticContact CZ3-CE2 3.68Å; W926-F936 HydrophobicContact CZ3-CE2 3.68Å; W926-F936 AromaticContact CZ3-CZ 3.86Å; W926-F936 HydrophobicContact CZ3-CZ 3.86Å; A929-F936 HydrophobicContact CB-CE1 4.35Å; A929-F936 HydrophobicContact CB-CE2 4Å; A929-F936 HydrophobicContact CB-CZ 3.62Å; K930-F936 HydrophobicContact CB-CD2 3.88Å; K930-F936 HydrophobicContact CB-CE2 3.95Å; K930-F936 HydrophobicContact CG-CD2 4.21Å; R934-F936 PolarHBondContact O-N 3.33Å; R934-F936 VanDerWaalsContact O-N 3.15Å |
| 937 | L | 90.7 | Very high | 90.4 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 143.1 | 175.2 | -72.1 | -174.6 | 0 | 0 | 0 | 111.4 | V874 W875 R934 L965 A968 L969 | V874-L937 HydrophobicContact CG1-CD2 3.87Å; W875-L937 HydrophobicContact CD2-CD2 4.13Å; W875-L937 HydrophobicContact CE3-CD2 3.75Å; W875-L937 HydrophobicContact CE3-CG 4.37Å; W875-L937 HydrophobicContact CZ3-CD1 4.46Å; W875-L937 HydrophobicContact CZ3-CD2 4.12Å; W875-L937 HydrophobicContact CZ3-CG 4.43Å; R934-L937 HydrophobicContact CB-CD1 3.77Å; R934-L937 HydrophobicContact CB-CG 4.09Å; R934-L937 HydrophobicContact CG-CD1 4.35Å; R934-L937 PolarHBondContact O-N 3.31Å; L937-L965 HydrophobicContact CD2-CD1 4.34Å; L937-A968 HydrophobicContact CD1-CB 3.94Å; L937-A968 HydrophobicContact CD2-CB 4.29Å; L937-L969 HydrophobicContact CD1-CD2 3.7Å; L937-L969 HydrophobicContact CD1-CG 4.14Å |
| 938 | P | 89.9 | Confident | 90.4 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 14% | 0.143 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -74 | 154.2 | 170.2 | 33.8 | -33.7 | 0 | 0 | 0 | 110.4 | V874 A877 L965 | V874-P938 VanDerWaalsContact O-CD 3.32Å; V874-P938 WeakPolarHBondContact O-CD 3.31Å; A877-P938 HydrophobicContact CB-CB 4.08Å; A877-P938 HydrophobicContact CB-CG 3.93Å; P938-L965 HydrophobicContact CG-CD1 3.91Å; P938-L965 HydrophobicContact CG-CD2 3.87Å |
| 939 | P | 86.9 | Confident | 90.4 | Very high | 119 Ų | 119 | 64 Ų | 64 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 152.5 | 170.8 | 27.9 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 940 | L | 89.8 | Confident | 90.6 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 141.4 | 173.4 | -72 | 168.6 | 0 | 0 | 0 | 110.7 | Y942 L947 L965 L969 | L940-Y942 PolarHBondContact O-N 3.49Å; L940-L947 HydrophobicContact CD1-CD1 3.95Å; L940-L947 HydrophobicContact CD2-CD1 4.27Å; L940-L965 HydrophobicContact CD2-CD2 4.31Å; L940-L965 HydrophobicContact CD2-CG 4.1Å; L940-L969 HydrophobicContact CD1-CD1 3.9Å; L940-L969 HydrophobicContact CD2-CD1 4.01Å; L940-L969 HydrophobicContact CG-CD1 3.78Å |
| 941 | P | 87.4 | Confident | 90.8 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -66.9 | -23 | -176.5 | 27.2 | -35.7 | 0 | 0 | 0 | 113.7 | ||
| 942 | Y | 89.1 | Confident | 90.7 | Very high | 133 Ų | 133 | 64.7 Ų | 64.7 | 52% | 0.522 | 33% | 0.334 | S | S | . | . | trans | -128.1 | 77 | 179.9 | -51.3 | -68.2 | 0 | 0 | 0 | 110.4 | L940 D944 A945 Q950 | L940-Y942 PolarHBondContact O-N 3.49Å; Y942-D944 PolarHBondContact O-N 3.35Å; Y942-A945 WeakPolarHBondContact O-CB 3.38Å; Y942-A945 PolarHBondContact O-N 3.48Å; Y942-Q950 PolarHBondContact O-NE2 3.47Å | ||
| 943 | P | 83.6 | Confident | 90.9 | Very high | 105 Ų | 105 | 62.6 Ų | 62.6 | 68% | 0.682 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.9 | -173.8 | 23.7 | -34.1 | 0 | 0 | 0 | 113.7 | A945 | P943-A945 VanDerWaalsContact C-N 3.28Å; P943-A945 PolarHBondContact O-N 2.81Å |
| 944 | D | 85.7 | Confident | 91.1 | Very high | 167 Ų | 167 | 57.8 Ų | 57.8 | 89% | 0.893 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -10.7 | 176.4 | -53 | -59.9 | 0 | 0 | 0 | 113.9 | Y942 | Y942-D944 PolarHBondContact O-N 3.35Š|
| 945 | A | 88.8 | Confident | 91.4 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -97.9 | 131.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y942 P943 Q950 | Y942-A945 WeakPolarHBondContact O-CB 3.38Å; Y942-A945 PolarHBondContact O-N 3.48Å; P943-A945 VanDerWaalsContact C-N 3.28Å; P943-A945 PolarHBondContact O-N 2.81Å; A945-Q950 HydrophobicContact CB-CG 3.98Å; A945-Q950 PolarHBondContact O-NE2 2.83Å |
| 946 | P | 92.3 | Very high | 91.7 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | trans | -64.8 | 141.2 | -176.5 | 27.9 | -35.5 | 0 | 0 | 0 | 111.8 | Q948 R949 Q950 | P946-Q948 VanDerWaalsContact C-N 3.35Å; P946-Q948 PolarHBondContact O-N 3.45Å; P946-R949 HydrophobicContact CG-CB 4.08Å; P946-R949 WeakPolarHBondContact O-CA 3.46Å; P946-R949 VanDerWaalsContact O-CB 3.29Å; P946-R949 WeakPolarHBondContact O-CB 3.4Å; P946-R949 PolarHBondContact O-N 3.32Å; P946-Q950 PolarHBondContact O-N 3.47Å | ||
| 947 | L | 93.6 | Very high | 92 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.2 | -41.9 | -166.8 | 179.6 | 59.4 | 0 | 0 | 0 | 113.8 | L940 R949 Q950 L951 C966 L969 A970 | L940-L947 HydrophobicContact CD1-CD1 3.95Å; L940-L947 HydrophobicContact CD2-CD1 4.27Å; L947-R949 PolarHBondContact O-N 3.05Å; L947-Q950 PolarHBondContact O-N 3.35Å; L947-Q950 VanDerWaalsContact O-N 3.14Å; L947-L951 PolarHBondContact O-N 3.24Å; L947-C966 HydrophobicContact CD1-CB 4.03Å; L947-L969 HydrophobicContact CD2-CB 4.08Å; L947-A970 HydrophobicContact CD2-CB 4.24Å |
| 948 | Q | 93.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.3 | -34.5 | 177.8 | 71.1 | -82.9 | 20.3 | 0 | 0 | 112.1 | P946 L951 I952 T974 A977 | P946-Q948 VanDerWaalsContact C-N 3.35Å; P946-Q948 PolarHBondContact O-N 3.45Å; Q948-L951 PolarHBondContact O-N 2.82Å; Q948-I952 WeakPolarHBondContact O-CB 3.42Å; Q948-I952 WeakPolarHBondContact O-CD1 3.48Å; Q948-I952 WeakPolarHBondContact O-CG1 3.44Å; Q948-I952 PolarHBondContact O-N 3.49Å; Q948-T974 WeakPolarHBondContact CB-O 3.38Å; Q948-A977 HydrophobicContact CB-CB 3.91Å; Q948-A977 HydrophobicContact CG-CB 3.74Å |
| 949 | R | 94.3 | Very high | 92.4 | Very high | 116 Ų | 116 | 65 Ų | 65 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 178 | -164.7 | -175.8 | 177 | 170.5 | 2.3 | 110.8 | P946 L947 I952 D953 Y979 | P946-R949 HydrophobicContact CG-CB 4.08Å; P946-R949 WeakPolarHBondContact O-CA 3.46Å; P946-R949 VanDerWaalsContact O-CB 3.29Å; P946-R949 WeakPolarHBondContact O-CB 3.4Å; P946-R949 PolarHBondContact O-N 3.32Å; L947-R949 PolarHBondContact O-N 3.05Å; R949-I952 PolarHBondContact O-N 3.48Å; R949-D953 VanDerWaalsContact O-CB 3.25Å; R949-D953 WeakPolarHBondContact O-CB 3.2Å; R949-D953 PolarHBondContact O-N 2.92Å; R949-Y979 HydrophobicContact CB-CE2 4.47Å; R949-Y979 HydrophobicContact CG-CD2 3.91Å; R949-Y979 HydrophobicContact CG-CE1 4.2Å; R949-Y979 HydrophobicContact CG-CE2 3.41Å; R949-Y979 VanDerWaalsContact CG-CE2 3.41Å; R949-Y979 VanDerWaalsContact NE-CZ 3.28Å; R949-Y979 PolarHBondContact NE-OH 2.81Å; R949-Y979 PolarHBondContact NH2-OH 3.07Å |
| 950 | Q | 95.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 175.4 | -64.1 | -170.4 | 71.5 | 0 | 0 | 112 | Y942 A945 P946 L947 A954 | Y942-Q950 PolarHBondContact O-NE2 3.47Å; A945-Q950 HydrophobicContact CB-CG 3.98Å; A945-Q950 PolarHBondContact O-NE2 2.83Å; P946-Q950 PolarHBondContact O-N 3.47Å; L947-Q950 PolarHBondContact O-N 3.35Å; L947-Q950 VanDerWaalsContact O-N 3.14Å; Q950-A954 VanDerWaalsContact O-CB 3.28Å; Q950-A954 WeakPolarHBondContact O-CB 3.19Å; Q950-A954 PolarHBondContact O-N 3.28Å |
| 951 | L | 96.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 174 | 177.4 | 59.7 | 0 | 0 | 0 | 111.6 | L947 Q948 A954 I955 V963 C966 L967 V975 A987 L1003 | L947-L951 PolarHBondContact O-N 3.24Å; Q948-L951 PolarHBondContact O-N 2.82Å; L951-A954 PolarHBondContact O-N 2.88Å; L951-I955 HydrophobicContact CD1-CD1 4.05Å; L951-I955 HydrophobicContact CD1-CG1 4.45Å; L951-I955 HydrophobicContact CG-CD1 4.07Å; L951-I955 VanDerWaalsContact O-CG1 3.32Å; L951-I955 WeakPolarHBondContact O-CG1 3.4Å; L951-I955 PolarHBondContact O-N 2.77Å; L951-V963 HydrophobicContact CD1-CG1 4.35Å; L951-C966 HydrophobicContact CB-CB 3.9Å; L951-C966 HydrophobicContact CD1-CB 3.78Å; L951-C966 HydrophobicContact CG-CB 4.4Å; L951-L967 HydrophobicContact CD1-CD2 3.96Å; L951-L967 HydrophobicContact CD1-CG 4.03Å; L951-L967 HydrophobicContact CD2-CD2 4.09Å; L951-V975 HydrophobicContact CD2-CG2 4.5Å; L951-A987 HydrophobicContact CD2-CB 4.13Å; L951-A987 HydrophobicContact CG-CB 4.34Å; L951-L1003 HydrophobicContact CD2-CD2 4.36Å |
| 952 | I | 95.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.9 | -42 | -179.7 | -67.3 | 163.2 | 0 | 0 | 0 | 111.4 | Q948 R949 A954 I955 A956 Y979 A987 I990 | Q948-I952 WeakPolarHBondContact O-CB 3.42Å; Q948-I952 WeakPolarHBondContact O-CD1 3.48Å; Q948-I952 WeakPolarHBondContact O-CG1 3.44Å; Q948-I952 PolarHBondContact O-N 3.49Å; R949-I952 PolarHBondContact O-N 3.48Å; I952-A954 VanDerWaalsContact C-N 3.31Å; I952-A954 PolarHBondContact O-N 3.07Å; I952-I955 PolarHBondContact O-N 3.26Å; I952-A956 WeakPolarHBondContact O-CB 3.19Å; I952-A956 PolarHBondContact O-N 2.89Å; I952-Y979 HydrophobicContact CB-CD2 3.74Å; I952-Y979 HydrophobicContact CB-CE2 4.25Å; I952-Y979 HydrophobicContact CD1-CD2 4.09Å; I952-Y979 HydrophobicContact CG2-CD2 3.46Å; I952-Y979 VanDerWaalsContact CG2-CD2 3.46Å; I952-Y979 HydrophobicContact CG2-CE2 4.01Å; I952-Y979 HydrophobicContact CG2-CG 4.41Å; I952-A987 HydrophobicContact CG1-CB 4.04Å; I952-I990 HydrophobicContact CG2-CG1 3.83Å |
| 953 | D | 95 | Very high | 93.8 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | 172.7 | -97.6 | 22.6 | 0 | 0 | 0 | 111.7 | R949 A956 R957 Y979 | R949-D953 VanDerWaalsContact O-CB 3.25Å; R949-D953 WeakPolarHBondContact O-CB 3.2Å; R949-D953 PolarHBondContact O-N 2.92Å; D953-A956 PolarHBondContact O-N 2.88Å; D953-R957 VanDerWaalsContact CG-NH2 3.31Å; D953-R957 VanDerWaalsContact O-CG 3.3Å; D953-R957 WeakPolarHBondContact O-CG 3.49Å; D953-R957 PolarHBondContact O-N 3.18Å; D953-R957 IonicContact OD2-CZ 3.42Å; D953-R957 IonicContact OD2-NH1 2.69Å; D953-R957 IonicContact OD2-NH2 3.17Å; D953-R957 PolarHBondContact OD2-NH2 3.05Å; D953-Y979 WeakPolarHBondContact OD1-CE2 3.09Å; D953-Y979 VanDerWaalsContact OD1-CZ 3.31Å; D953-Y979 PolarHBondContact OD1-OH 2.82Å |
| 954 | A | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q950 L951 I952 A956 R957 Q958 D959 Q962 V963 | Q950-A954 VanDerWaalsContact O-CB 3.28Å; Q950-A954 WeakPolarHBondContact O-CB 3.19Å; Q950-A954 PolarHBondContact O-N 3.28Å; L951-A954 PolarHBondContact O-N 2.88Å; I952-A954 VanDerWaalsContact C-N 3.31Å; I952-A954 PolarHBondContact O-N 3.07Å; A954-A956 VanDerWaalsContact C-N 3.34Å; A954-A956 PolarHBondContact O-N 2.88Å; A954-R957 PolarHBondContact O-N 3.16Å; A954-Q958 PolarHBondContact O-N 3.46Å; A954-D959 PolarHBondContact O-N 2.7Å; A954-Q962 HydrophobicContact CB-CB 3.83Å; A954-Q962 HydrophobicContact CB-CG 3.7Å; A954-V963 HydrophobicContact CB-CG2 3.73Å |
| 955 | I | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 172.4 | -70.1 | 167.2 | 0 | 0 | 0 | 110.2 | L951 I952 R957 Q958 V963 A987 I990 A991 L994 Y999 L1003 | L951-I955 HydrophobicContact CD1-CD1 4.05Å; L951-I955 HydrophobicContact CD1-CG1 4.45Å; L951-I955 HydrophobicContact CG-CD1 4.07Å; L951-I955 VanDerWaalsContact O-CG1 3.32Å; L951-I955 WeakPolarHBondContact O-CG1 3.4Å; L951-I955 PolarHBondContact O-N 2.77Å; I952-I955 PolarHBondContact O-N 3.26Å; I955-R957 VanDerWaalsContact C-N 3.3Å; I955-R957 PolarHBondContact O-N 2.86Å; I955-Q958 PolarHBondContact O-N 3.47Å; I955-V963 HydrophobicContact CG1-CG2 3.73Å; I955-A987 HydrophobicContact CD1-CB 3.67Å; I955-I990 HydrophobicContact CG2-CB 4.2Å; I955-I990 HydrophobicContact CG2-CG2 3.88Å; I955-A991 HydrophobicContact CG2-CB 4.21Å; I955-L994 HydrophobicContact CG2-CD1 3.98Å; I955-L994 WeakPolarHBondContact O-CD1 3.41Å; I955-Y999 HydrophobicContact CB-CD2 4.48Å; I955-Y999 HydrophobicContact CG1-CD2 4.37Å; I955-Y999 HydrophobicContact CG2-CD2 4.05Å; I955-L1003 HydrophobicContact CD1-CD1 4.12Å; I955-L1003 HydrophobicContact CD1-CD2 4.32Å |
| 956 | A | 95.5 | Very high | 95.1 | Very high | 58 Ų | 58 | 41 Ų | 41 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.7 | -32.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I952 D953 A954 I990 | I952-A956 WeakPolarHBondContact O-CB 3.19Å; I952-A956 PolarHBondContact O-N 2.89Å; D953-A956 PolarHBondContact O-N 2.88Å; A954-A956 VanDerWaalsContact C-N 3.34Å; A954-A956 PolarHBondContact O-N 2.88Å; A956-I990 HydrophobicContact CB-CG2 4.31Å |
| 957 | R | 95.3 | Very high | 95.2 | Very high | 149 Ų | 149 | 38 Ų | 38 | 56% | 0.562 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -82.7 | -10.5 | 173.8 | -68.7 | 171.7 | -166.6 | 129 | 17.8 | 113.8 | D953 A954 I955 D959 | D953-R957 VanDerWaalsContact CG-NH2 3.31Å; D953-R957 VanDerWaalsContact O-CG 3.3Å; D953-R957 WeakPolarHBondContact O-CG 3.49Å; D953-R957 PolarHBondContact O-N 3.18Å; D953-R957 IonicContact OD2-CZ 3.42Å; D953-R957 IonicContact OD2-NH1 2.69Å; D953-R957 IonicContact OD2-NH2 3.17Å; D953-R957 PolarHBondContact OD2-NH2 3.05Å; A954-R957 PolarHBondContact O-N 3.16Å; I955-R957 VanDerWaalsContact C-N 3.3Å; I955-R957 PolarHBondContact O-N 2.86Å; R957-D959 PolarHBondContact O-N 2.84Å |
| 958 | Q | 94.5 | Very high | 95.3 | Very high | 109 Ų | 109 | 36.6 Ų | 36.6 | 51% | 0.509 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 35.8 | -169.3 | -52.4 | -171.5 | 45.5 | 0 | 0 | 113.6 | A954 I955 T960 L994 Y999 | A954-Q958 PolarHBondContact O-N 3.46Å; I955-Q958 PolarHBondContact O-N 3.47Å; Q958-T960 PolarHBondContact O-N 2.71Å; Q958-L994 HydrophobicContact CG-CD1 4.34Å; Q958-Y999 VanDerWaalsContact CA-OH 3.32Å; Q958-Y999 WeakPolarHBondContact CA-OH 3.35Å; Q958-Y999 HydrophobicContact CB-CE2 4.34Å; Q958-Y999 HydrophobicContact CG-CE2 4.37Å; Q958-Y999 PolarHBondContact O-OH 3.47Å; Q958-Y999 VanDerWaalsContact O-OH 3.12Å |
| 959 | D | 95.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | trans | -84.4 | 88.6 | 173.3 | -176.9 | -14.5 | 0 | 0 | 0 | 109.9 | A954 R957 R961 Q962 V963 | A954-D959 PolarHBondContact O-N 2.7Å; R957-D959 PolarHBondContact O-N 2.84Å; D959-R961 PolarHBondContact O-N 2.9Å; D959-R961 WeakPolarHBondContact OD1-CA 3.3Å; D959-R961 WeakPolarHBondContact OD1-CB 2.98Å; D959-R961 PolarHBondContact OD1-N 2.65Å; D959-Q962 HydrophobicContact CB-CB 4.1Å; D959-Q962 VanDerWaalsContact CG-CB 3.46Å; D959-Q962 PolarHBondContact O-N 3.12Å; D959-Q962 PolarHBondContact OD1-N 3.46Å; D959-Q962 WeakPolarHBondContact OD2-CB 3.5Å; D959-V963 VanDerWaalsContact O-CG2 3.32Å; D959-V963 WeakPolarHBondContact O-CG2 3.42Å; D959-V963 PolarHBondContact O-N 3.29Å | ||
| 960 | T | 95.1 | Very high | 95 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 18% | 0.184 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -29.7 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | I866 L870 Q958 I964 Y999 | I866-T960 HydrophobicContact CG1-CG2 4.3Å; L870-T960 HydrophobicContact CD2-CG2 3.66Å; Q958-T960 PolarHBondContact O-N 2.71Å; T960-I964 HydrophobicContact CG2-CD1 4.03Å; T960-I964 HydrophobicContact CG2-CG1 4.49Å; T960-I964 WeakPolarHBondContact O-CD1 3.42Å; T960-I964 VanDerWaalsContact O-CG1 3.23Å; T960-I964 WeakPolarHBondContact O-CG1 3.2Å; T960-I964 PolarHBondContact O-N 2.73Å; T960-Y999 HydrophobicContact CG2-CE1 4.3Å; T960-Y999 PolarHBondContact N-OH 3.49Å; T960-Y999 PolarHBondContact OG1-OH 3.3Å |
| 961 | R | 95.4 | Very high | 94.9 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.2 | -48.1 | 178.2 | -169.1 | -179.8 | 171.1 | -91.8 | -1.4 | 110.5 | L870 S873 V874 D959 V963 I964 L965 | L870-R961 HydrophobicContact CD1-CB 4.05Å; L870-R961 HydrophobicContact CD1-CG 4.33Å; S873-R961 VanDerWaalsContact O-CZ 3.31Å; S873-R961 PolarHBondContact O-NE 3.04Å; S873-R961 PolarHBondContact O-NH2 3.12Å; S873-R961 PolarHBondContact OG-NE 2.98Å; V874-R961 HydrophobicContact CG2-CG 3.46Å; V874-R961 VanDerWaalsContact CG2-CG 3.46Å; D959-R961 PolarHBondContact O-N 2.9Å; D959-R961 WeakPolarHBondContact OD1-CA 3.3Å; D959-R961 WeakPolarHBondContact OD1-CB 2.98Å; D959-R961 PolarHBondContact OD1-N 2.65Å; R961-V963 VanDerWaalsContact C-N 3.34Å; R961-I964 PolarHBondContact O-N 2.58Å; R961-L965 PolarHBondContact O-N 3.09Å |
| 962 | Q | 94.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.8 | -31.3 | 177.5 | -171.7 | 59.2 | 55.2 | 0 | 0 | 112.2 | A954 D959 L965 C966 | A954-Q962 HydrophobicContact CB-CB 3.83Å; A954-Q962 HydrophobicContact CB-CG 3.7Å; D959-Q962 HydrophobicContact CB-CB 4.1Å; D959-Q962 VanDerWaalsContact CG-CB 3.46Å; D959-Q962 PolarHBondContact O-N 3.12Å; D959-Q962 PolarHBondContact OD1-N 3.46Å; D959-Q962 WeakPolarHBondContact OD2-CB 3.5Å; Q962-L965 PolarHBondContact O-N 3.2Å; Q962-C966 PolarHBondContact NE2-SG 2.9Å; Q962-C966 WeakPolarHBondContact O-CB 3.42Å; Q962-C966 PolarHBondContact O-N 2.84Å; Q962-C966 PolarHBondContact O-SG 3.42Å |
| 963 | V | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 170.5 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L951 A954 I955 D959 R961 L965 C966 L967 Y999 | L951-V963 HydrophobicContact CD1-CG1 4.35Å; A954-V963 HydrophobicContact CB-CG2 3.73Å; I955-V963 HydrophobicContact CG1-CG2 3.73Å; D959-V963 VanDerWaalsContact O-CG2 3.32Å; D959-V963 WeakPolarHBondContact O-CG2 3.42Å; D959-V963 PolarHBondContact O-N 3.29Å; R961-V963 VanDerWaalsContact C-N 3.34Å; V963-L965 VanDerWaalsContact C-N 3.35Å; V963-L965 PolarHBondContact O-N 3.29Å; V963-C966 PolarHBondContact O-N 2.77Å; V963-L967 HydrophobicContact CG1-CD1 3.82Å; V963-L967 HydrophobicContact CG1-CG 4.31Å; V963-L967 WeakPolarHBondContact O-CB 3.43Å; V963-L967 VanDerWaalsContact O-CG 3.29Å; V963-L967 WeakPolarHBondContact O-CG 3.38Å; V963-L967 PolarHBondContact O-N 3.14Å; V963-Y999 HydrophobicContact CG1-CD1 4.39Å; V963-Y999 HydrophobicContact CG1-CE1 4.48Å |
| 964 | I | 95.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.6 | -67.4 | 162.3 | 0 | 0 | 0 | 110.8 | I866 L870 V874 T960 R961 L967 A968 | I866-I964 HydrophobicContact CD1-CD1 3.98Å; I866-I964 HydrophobicContact CD1-CG1 4.34Å; I866-I964 HydrophobicContact CG1-CD1 4.07Å; I866-I964 HydrophobicContact CG2-CD1 3.76Å; L870-I964 HydrophobicContact CD2-CD1 4Å; L870-I964 HydrophobicContact CG-CD1 4.2Å; V874-I964 HydrophobicContact CB-CG2 4.2Å; V874-I964 HydrophobicContact CG1-CG2 4.14Å; V874-I964 HydrophobicContact CG2-CB 4.38Å; V874-I964 HydrophobicContact CG2-CG2 4.2Å; T960-I964 HydrophobicContact CG2-CD1 4.03Å; T960-I964 HydrophobicContact CG2-CG1 4.49Å; T960-I964 WeakPolarHBondContact O-CD1 3.42Å; T960-I964 VanDerWaalsContact O-CG1 3.23Å; T960-I964 WeakPolarHBondContact O-CG1 3.2Å; T960-I964 PolarHBondContact O-N 2.73Å; R961-I964 PolarHBondContact O-N 2.58Å; I964-L967 PolarHBondContact O-N 3.3Å; I964-A968 VanDerWaalsContact O-CB 3.31Å; I964-A968 WeakPolarHBondContact O-CB 3.5Å; I964-A968 PolarHBondContact O-N 3.27Å |
| 965 | L | 95.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.7 | 178 | 56.5 | 0 | 0 | 0 | 112.5 | V874 L937 P938 L940 R961 Q962 V963 A968 L969 | V874-L965 HydrophobicContact CG1-CB 3.89Å; V874-L965 HydrophobicContact CG1-CD1 4.03Å; L937-L965 HydrophobicContact CD2-CD1 4.34Å; P938-L965 HydrophobicContact CG-CD1 3.91Å; P938-L965 HydrophobicContact CG-CD2 3.87Å; L940-L965 HydrophobicContact CD2-CD2 4.31Å; L940-L965 HydrophobicContact CD2-CG 4.1Å; R961-L965 PolarHBondContact O-N 3.09Å; Q962-L965 PolarHBondContact O-N 3.2Å; V963-L965 VanDerWaalsContact C-N 3.35Å; V963-L965 PolarHBondContact O-N 3.29Å; L965-A968 PolarHBondContact O-N 2.85Å; L965-L969 HydrophobicContact CD1-CD1 4.49Å; L965-L969 PolarHBondContact O-N 3.12Å |
| 966 | C | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 176.4 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | L947 L951 Q962 V963 A968 L969 A970 | L947-C966 HydrophobicContact CD1-CB 4.03Å; L951-C966 HydrophobicContact CB-CB 3.9Å; L951-C966 HydrophobicContact CD1-CB 3.78Å; L951-C966 HydrophobicContact CG-CB 4.4Å; Q962-C966 PolarHBondContact NE2-SG 2.9Å; Q962-C966 WeakPolarHBondContact O-CB 3.42Å; Q962-C966 PolarHBondContact O-N 2.84Å; Q962-C966 PolarHBondContact O-SG 3.42Å; V963-C966 PolarHBondContact O-N 2.77Å; C966-A968 PolarHBondContact O-N 2.83Å; C966-L969 PolarHBondContact O-N 2.82Å; C966-A970 WeakPolarHBondContact O-CB 3.32Å; C966-A970 PolarHBondContact O-N 3.39Å |
| 967 | L | 95.2 | Very high | 94 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -34.7 | 178.1 | -69.4 | 176.4 | 0 | 0 | 0 | 112.7 | L951 V963 I964 L969 A970 V975 L1002 L1003 Y1006 | L951-L967 HydrophobicContact CD1-CD2 3.96Å; L951-L967 HydrophobicContact CD1-CG 4.03Å; L951-L967 HydrophobicContact CD2-CD2 4.09Å; V963-L967 HydrophobicContact CG1-CD1 3.82Å; V963-L967 HydrophobicContact CG1-CG 4.31Å; V963-L967 WeakPolarHBondContact O-CB 3.43Å; V963-L967 VanDerWaalsContact O-CG 3.29Å; V963-L967 WeakPolarHBondContact O-CG 3.38Å; V963-L967 PolarHBondContact O-N 3.14Å; I964-L967 PolarHBondContact O-N 3.3Å; L967-L969 PolarHBondContact O-N 2.6Å; L967-A970 PolarHBondContact O-N 3.36Å; L967-V975 HydrophobicContact CD2-CG2 4.35Å; L967-L1002 HydrophobicContact CD1-CB 4.03Å; L967-L1003 HydrophobicContact CD2-CD2 4.16Å; L967-Y1006 HydrophobicContact CB-CD1 4.23Å; L967-Y1006 HydrophobicContact CB-CD2 4.17Å; L967-Y1006 HydrophobicContact CB-CE1 4.33Å; L967-Y1006 HydrophobicContact CB-CE2 4.26Å; L967-Y1006 HydrophobicContact CB-CG 4.17Å; L967-Y1006 HydrophobicContact CD1-CD2 3.98Å; L967-Y1006 HydrophobicContact CD1-CE2 4.3Å; L967-Y1006 HydrophobicContact CD2-CD2 4.36Å; L967-Y1006 HydrophobicContact CD2-CG 4.15Å; L967-Y1006 HydrophobicContact CG-CD2 4.4Å |
| 968 | A | 93.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -23.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W875 R934 L937 I964 L965 C966 | W875-A968 HydrophobicContact CH2-CB 3.56Å; W875-A968 HydrophobicContact CZ2-CB 3.53Å; W875-A968 HydrophobicContact CZ3-CB 4.27Å; R934-A968 PolarHBondContact NE-O 3.16Å; R934-A968 PolarHBondContact NH1-O 2.93Å; R934-A968 PolarHBondContact NH2-O 3.46Å; L937-A968 HydrophobicContact CD1-CB 3.94Å; L937-A968 HydrophobicContact CD2-CB 4.29Å; I964-A968 VanDerWaalsContact O-CB 3.31Å; I964-A968 WeakPolarHBondContact O-CB 3.5Å; I964-A968 PolarHBondContact O-N 3.27Å; L965-A968 PolarHBondContact O-N 2.85Å; C966-A968 PolarHBondContact O-N 2.83Å |
| 969 | L | 91.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 29% | 0.288 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -103.3 | -11.9 | 177.7 | -64.6 | 177 | 0 | 0 | 0 | 113.8 | L937 L940 L947 L965 C966 L967 | L937-L969 HydrophobicContact CD1-CD2 3.7Å; L937-L969 HydrophobicContact CD1-CG 4.14Å; L940-L969 HydrophobicContact CD1-CD1 3.9Å; L940-L969 HydrophobicContact CD2-CD1 4.01Å; L940-L969 HydrophobicContact CG-CD1 3.78Å; L947-L969 HydrophobicContact CD2-CB 4.08Å; L965-L969 HydrophobicContact CD1-CD1 4.49Å; L965-L969 PolarHBondContact O-N 3.12Å; C966-L969 PolarHBondContact O-N 2.82Å; L967-L969 PolarHBondContact O-N 2.6Å |
| 970 | A | 91.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 34 Ų | 34 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | trans | -74.5 | 149.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L947 C966 L967 V975 | L947-A970 HydrophobicContact CD2-CB 4.24Å; C966-A970 WeakPolarHBondContact O-CB 3.32Å; C966-A970 PolarHBondContact O-N 3.39Å; L967-A970 PolarHBondContact O-N 3.36Å; A970-V975 HydrophobicContact CB-CG2 3.66Å | ||
| 971 | T | 91.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 40.8 Ų | 40.8 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | trans | -106.3 | 160.3 | 164.5 | 77.6 | 0 | 0 | 0 | 0 | 110.1 | E973 T974 V975 | T971-E973 WeakPolarHBondContact CB-OE2 3.31Å; T971-E973 PolarHBondContact O-N 3.48Å; T971-E973 VanDerWaalsContact O-N 3.11Å; T971-E973 PolarHBondContact OG1-OE2 3.15Å; T971-T974 PolarHBondContact N-OG1 3.48Å; T971-T974 PolarHBondContact O-N 2.75Å; T971-T974 PolarHBondContact O-OG1 3.31Å; T971-V975 PolarHBondContact O-N 3.01Å | ||
| 972 | P | 90.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.6 | -33.5 | 179.3 | -26.4 | 35.8 | 0 | 0 | 0 | 113.8 | N976 N1007 | P972-N976 PolarHBondContact O-N 3.28Å; P972-N976 PolarHBondContact O-ND2 2.98Å; P972-N1007 HydrophobicContact CB-CB 3.94Å; P972-N1007 HydrophobicContact CG-CB 3.93Å |
| 973 | E | 91.6 | Very high | 92.1 | Very high | 133 Ų | 133 | 44.5 Ų | 44.5 | 62% | 0.621 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.2 | -42.6 | 177.6 | -53.6 | 68.4 | -143 | 0 | 0 | 110.7 | T971 A977 | T971-E973 WeakPolarHBondContact CB-OE2 3.31Å; T971-E973 PolarHBondContact O-N 3.48Å; T971-E973 VanDerWaalsContact O-N 3.11Å; T971-E973 PolarHBondContact OG1-OE2 3.15Å; E973-A977 WeakPolarHBondContact O-CB 3.01Å; E973-A977 PolarHBondContact O-N 2.77Å |
| 974 | T | 93.2 | Very high | 91.7 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.8 | -28.9 | 178.7 | 62 | 0 | 0 | 0 | 0 | 113.7 | Q948 T971 | Q948-T974 WeakPolarHBondContact CB-O 3.38Å; T971-T974 PolarHBondContact N-OG1 3.48Å; T971-T974 PolarHBondContact O-N 2.75Å; T971-T974 PolarHBondContact O-OG1 3.31Å |
| 975 | V | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.4 | -35 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | L951 L967 A970 T971 L1003 Y1006 | L951-V975 HydrophobicContact CD2-CG2 4.5Å; L967-V975 HydrophobicContact CD2-CG2 4.35Å; A970-V975 HydrophobicContact CB-CG2 3.66Å; T971-V975 PolarHBondContact O-N 3.01Å; V975-L1003 HydrophobicContact CG1-CD2 3.72Å; V975-Y1006 WeakPolarHBondContact CG2-O 3.46Å |
| 976 | N | 94 | Very high | 91.5 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -94.4 | -8.4 | -176.8 | -67.5 | -58.1 | 0 | 0 | 0 | 114.3 | P972 N1007 G1008 D1009 V1012 | P972-N976 PolarHBondContact O-N 3.28Å; P972-N976 PolarHBondContact O-ND2 2.98Å; N976-N1007 PolarHBondContact ND2-O 2.83Å; N976-G1008 WeakPolarHBondContact OD1-CA 3.06Å; N976-D1009 PolarHBondContact OD1-N 3.05Å; N976-V1012 HydrophobicContact CB-CG2 4.22Å |
| 977 | A | 93.2 | Very high | 91.5 | Very high | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | trans | -67.1 | 144.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q948 E973 | Q948-A977 HydrophobicContact CB-CB 3.91Å; Q948-A977 HydrophobicContact CG-CB 3.74Å; E973-A977 WeakPolarHBondContact O-CB 3.01Å; E973-A977 PolarHBondContact O-N 2.77Å | ||
| 978 | A | 92.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 157.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S980 P984 | A978-S980 PolarHBondContact O-N 3.01Å; A978-P984 WeakPolarHBondContact CB-O 3.41Å |
| 979 | Y | 92 | Very high | 91.6 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -59.8 | -45.4 | 177.8 | -169.9 | -97.9 | 0 | 0 | 0 | 113.2 | R949 I952 D953 D983 R985 | R949-Y979 HydrophobicContact CB-CE2 4.47Å; R949-Y979 HydrophobicContact CG-CD2 3.91Å; R949-Y979 HydrophobicContact CG-CE1 4.2Å; R949-Y979 HydrophobicContact CG-CE2 3.41Å; R949-Y979 VanDerWaalsContact CG-CE2 3.41Å; R949-Y979 VanDerWaalsContact NE-CZ 3.28Å; R949-Y979 PolarHBondContact NE-OH 2.81Å; R949-Y979 PolarHBondContact NH2-OH 3.07Å; I952-Y979 HydrophobicContact CB-CD2 3.74Å; I952-Y979 HydrophobicContact CB-CE2 4.25Å; I952-Y979 HydrophobicContact CD1-CD2 4.09Å; I952-Y979 HydrophobicContact CG2-CD2 3.46Å; I952-Y979 VanDerWaalsContact CG2-CD2 3.46Å; I952-Y979 HydrophobicContact CG2-CE2 4.01Å; I952-Y979 HydrophobicContact CG2-CG 4.41Å; D953-Y979 WeakPolarHBondContact OD1-CE2 3.09Å; D953-Y979 VanDerWaalsContact OD1-CZ 3.31Å; D953-Y979 PolarHBondContact OD1-OH 2.82Å; Y979-D983 HydrophobicContact CD1-CB 4.1Å; Y979-D983 HydrophobicContact CG-CB 4.5Å; Y979-D983 PolarHBondContact N-O 2.96Å; Y979-R985 PolarHBondContact N-O 2.96Å |
| 980 | S | 88.6 | Confident | 91.7 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -160.1 | -176 | 171.3 | 80.5 | 0 | 0 | 0 | 0 | 111.9 | A978 Q982 D983 | A978-S980 PolarHBondContact O-N 3.01Å; S980-Q982 PolarHBondContact O-N 3.45Å; S980-Q982 PolarHBondContact OG-N 3.29Å; S980-Q982 PolarHBondContact OG-OE1 3.42Å; S980-D983 PolarHBondContact N-O 3.44Å; S980-D983 CarbonylContact O-C 3.53Å; S980-D983 PolarHBondContact OG-N 3.28Å; S980-D983 VanDerWaalsContact OG-N 3.15Å | ||
| 981 | L | 83.3 | Confident | 91.9 | Very high | 173 Ų | 173 | 46.1 Ų | 46.1 | 91% | 0.906 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -72.5 | -6.6 | 169.4 | -65 | 175.1 | 0 | 0 | 0 | 113.6 | ||
| 982 | Q | 85.2 | Confident | 92.1 | Very high | 157 Ų | 157 | 43.1 Ų | 43.1 | 73% | 0.734 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -106.5 | -28.2 | 176.3 | -57.1 | 83.1 | 14.8 | 0 | 0 | 112.3 | S980 | S980-Q982 PolarHBondContact O-N 3.45Å; S980-Q982 PolarHBondContact OG-N 3.29Å; S980-Q982 PolarHBondContact OG-OE1 3.42Å |
| 983 | D | 88.1 | Confident | 92.3 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | trans | -118.6 | 99.7 | 173.8 | -172.9 | -8.7 | 0 | 0 | 0 | 109.4 | Y979 S980 R985 | Y979-D983 HydrophobicContact CD1-CB 4.1Å; Y979-D983 HydrophobicContact CG-CB 4.5Å; Y979-D983 PolarHBondContact N-O 2.96Å; S980-D983 PolarHBondContact N-O 3.44Å; S980-D983 CarbonylContact O-C 3.53Å; S980-D983 PolarHBondContact OG-N 3.28Å; S980-D983 VanDerWaalsContact OG-N 3.15Å; D983-R985 PolarHBondContact O-N 2.97Å; D983-R985 VanDerWaalsContact O-N 3.16Å; D983-R985 WeakPolarHBondContact OD1-CB 3.36Å; D983-R985 WeakPolarHBondContact OD1-CG 3.37Å; D983-R985 IonicContact OD1-CZ 3.22Å; D983-R985 PolarHBondContact OD1-N 3.37Å; D983-R985 IonicContact OD1-NE 2.68Å; D983-R985 PolarHBondContact OD1-NE 3.11Å; D983-R985 IonicContact OD1-NH2 3.4Å; D983-R985 IonicContact OD2-CZ 2.73Å; D983-R985 IonicContact OD2-NE 3.2Å; D983-R985 PolarHBondContact OD2-NE 3.34Å; D983-R985 IonicContact OD2-NH2 3.43Å; D983-R985 PolarHBondContact OD2-NH2 3.32Å | ||
| 984 | P | 89 | Confident | 92.4 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 16% | 0.156 | 21% | 0.211 | C | C | . | . | trans | -75.4 | 0.5 | -172.3 | 37.1 | -43.7 | 0 | 0 | 0 | 113.4 | A978 D1014 H1015 | A978-P984 WeakPolarHBondContact CB-O 3.41Å; P984-D1014 HydrophobicContact CB-CB 3.91Å; P984-D1014 HydrophobicContact CG-CB 3.81Å; P984-H1015 HydrophobicContact CB-CB 3.99Å; P984-H1015 HydrophobicContact CG-CB 4.38Å; P984-H1015 WeakPolarHBondContact CG-ND1 3.42Å | ||
| 985 | R | 91.9 | Very high | 92.4 | Very high | 83 Ų | 83 | 39 Ų | 39 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | trans | -76.5 | 128 | -173 | -63.9 | 177.1 | -62.8 | 162.3 | 5.1 | 110.5 | Y979 D983 H989 I990 | Y979-R985 PolarHBondContact N-O 2.96Å; D983-R985 PolarHBondContact O-N 2.97Å; D983-R985 VanDerWaalsContact O-N 3.16Å; D983-R985 WeakPolarHBondContact OD1-CB 3.36Å; D983-R985 WeakPolarHBondContact OD1-CG 3.37Å; D983-R985 IonicContact OD1-CZ 3.22Å; D983-R985 PolarHBondContact OD1-N 3.37Å; D983-R985 IonicContact OD1-NE 2.68Å; D983-R985 PolarHBondContact OD1-NE 3.11Å; D983-R985 IonicContact OD1-NH2 3.4Å; D983-R985 IonicContact OD2-CZ 2.73Å; D983-R985 IonicContact OD2-NE 3.2Å; D983-R985 PolarHBondContact OD2-NE 3.34Å; D983-R985 IonicContact OD2-NH2 3.43Å; D983-R985 PolarHBondContact OD2-NH2 3.32Å; R985-H989 HydrophobicContact CB-CB 4.11Å; R985-H989 HydrophobicContact CG-CB 4.42Å; R985-I990 HydrophobicContact CB-CD1 3.76Å; R985-I990 HydrophobicContact CB-CG1 4.37Å; R985-I990 HydrophobicContact CG-CD1 4.34Å | ||
| 986 | A | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -86.8 | 170.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I988 H989 I990 V1012 | A986-I988 HydrophobicContact CB-CG2 4.5Å; A986-I988 PolarHBondContact O-N 3.38Å; A986-I988 VanDerWaalsContact O-N 3.14Å; A986-H989 PolarHBondContact N-ND1 3.35Å; A986-H989 WeakPolarHBondContact O-CB 3.46Å; A986-H989 PolarHBondContact O-N 2.71Å; A986-I990 PolarHBondContact O-N 2.98Å; A986-V1012 HydrophobicContact CB-CG1 4.18Å |
| 987 | A | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -50.1 | -40.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L951 I952 I955 H989 I990 A991 L1003 | L951-A987 HydrophobicContact CD2-CB 4.13Å; L951-A987 HydrophobicContact CG-CB 4.34Å; I952-A987 HydrophobicContact CG1-CB 4.04Å; I955-A987 HydrophobicContact CD1-CB 3.67Å; A987-H989 PolarHBondContact O-N 3.18Å; A987-I990 PolarHBondContact O-N 3.08Å; A987-A991 PolarHBondContact O-N 3.21Å; A987-L1003 HydrophobicContact CB-CD1 4.08Å; A987-L1003 HydrophobicContact CB-CD2 3.69Å |
| 988 | I | 95.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -32.7 | -180 | -162 | 168.1 | 0 | 0 | 0 | 113.4 | A986 A992 L1000 L1003 L1004 P1010 A1020 L1036 | A986-I988 HydrophobicContact CB-CG2 4.5Å; A986-I988 PolarHBondContact O-N 3.38Å; A986-I988 VanDerWaalsContact O-N 3.14Å; I988-A992 VanDerWaalsContact O-CB 3.23Å; I988-A992 WeakPolarHBondContact O-CB 3.5Å; I988-A992 PolarHBondContact O-N 3.16Å; I988-L1000 HydrophobicContact CG1-CD2 3.78Å; I988-L1003 HydrophobicContact CB-CD1 4.37Å; I988-L1004 HydrophobicContact CD1-CD2 4.27Å; I988-P1010 HydrophobicContact CD1-CB 4.39Å; I988-A1020 HydrophobicContact CD1-CB 4.4Å; I988-A1020 HydrophobicContact CG1-CB 3.97Å; I988-A1020 HydrophobicContact CG2-CB 4.45Å; I988-L1036 HydrophobicContact CD1-CD2 4.27Å |
| 989 | H | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.6 | -60.8 | 149.4 | 0 | 0 | 0 | 111.4 | R985 A986 A987 T993 V1012 T1013 D1014 R1018 N1019 A1020 Y1023 | R985-H989 HydrophobicContact CB-CB 4.11Å; R985-H989 HydrophobicContact CG-CB 4.42Å; A986-H989 PolarHBondContact N-ND1 3.35Å; A986-H989 WeakPolarHBondContact O-CB 3.46Å; A986-H989 PolarHBondContact O-N 2.71Å; A987-H989 PolarHBondContact O-N 3.18Å; H989-T993 WeakPolarHBondContact O-CB 3.32Å; H989-T993 PolarHBondContact O-N 3.25Å; H989-T993 PolarHBondContact O-OG1 3.24Å; H989-V1012 VanDerWaalsContact CE1-CG1 3.45Å; H989-V1012 WeakPolarHBondContact CE1-CG1 3.45Å; H989-V1012 PolarHBondContact NE2-O 3.45Å; H989-T1013 VanDerWaalsContact CE1-CA 3.48Å; H989-T1013 WeakPolarHBondContact CE1-CA 3.36Å; H989-T1013 PolarHBondContact CE1-O 2.85Å; H989-T1013 VanDerWaalsContact CE1-O 3.28Å; H989-D1014 VanDerWaalsContact CE1-CA 3.42Å; H989-D1014 WeakPolarHBondContact CE1-CA 3.16Å; H989-D1014 PolarHBondContact CE1-N 3.41Å; H989-R1018 PolarHBondContact NE2-O 3.48Å; H989-N1019 VanDerWaalsContact NE2-CA 3.28Å; H989-N1019 WeakPolarHBondContact NE2-CA 3.4Å; H989-A1020 PolarHBondContact NE2-N 3.39Å; H989-Y1023 HydrophobicContact CB-CD2 3.79Å; H989-Y1023 HydrophobicContact CB-CE2 3.9Å; H989-Y1023 HydrophobicContact CB-CG 4.4Å; H989-Y1023 AromaticContact CD2-CD2 3.91Å; H989-Y1023 AromaticContact CG-CD2 3.89Å; H989-Y1023 AromaticContact CG-CE2 3.85Å |
| 990 | I | 95.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.9 | -45.2 | 177.6 | -54 | -51.8 | 0 | 0 | 0 | 110.9 | I952 I955 A956 R985 A986 A987 A992 T993 L994 | I952-I990 HydrophobicContact CG2-CG1 3.83Å; I955-I990 HydrophobicContact CG2-CB 4.2Å; I955-I990 HydrophobicContact CG2-CG2 3.88Å; A956-I990 HydrophobicContact CB-CG2 4.31Å; R985-I990 HydrophobicContact CB-CD1 3.76Å; R985-I990 HydrophobicContact CB-CG1 4.37Å; R985-I990 HydrophobicContact CG-CD1 4.34Å; A986-I990 PolarHBondContact O-N 2.98Å; A987-I990 PolarHBondContact O-N 3.08Å; I990-A992 VanDerWaalsContact C-N 3.31Å; I990-A992 PolarHBondContact O-N 2.96Å; I990-T993 WeakPolarHBondContact O-CB 3.22Å; I990-T993 PolarHBondContact O-N 3Å; I990-T993 VanDerWaalsContact O-N 3.16Å; I990-L994 HydrophobicContact CG2-CD1 4.13Å; I990-L994 HydrophobicContact CG2-CG 4.48Å; I990-L994 WeakPolarHBondContact O-CG 3.41Å; I990-L994 PolarHBondContact O-N 3.23Å |
| 991 | A | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I955 A987 L994 G995 N996 L1000 L1003 | I955-A991 HydrophobicContact CG2-CB 4.21Å; A987-A991 PolarHBondContact O-N 3.21Å; A991-L994 PolarHBondContact O-N 2.83Å; A991-G995 PolarHBondContact O-N 2.9Å; A991-G995 VanDerWaalsContact O-N 3.08Å; A991-N996 PolarHBondContact O-N 3.48Å; A991-L1000 HydrophobicContact CB-CD2 3.72Å; A991-L1000 HydrophobicContact CB-CG 4.04Å; A991-L1003 HydrophobicContact CB-CD1 3.84Å |
| 992 | A | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I988 I990 L994 G995 L1000 A1020 A1024 N1029 L1036 | I988-A992 VanDerWaalsContact O-CB 3.23Å; I988-A992 WeakPolarHBondContact O-CB 3.5Å; I988-A992 PolarHBondContact O-N 3.16Å; I990-A992 VanDerWaalsContact C-N 3.31Å; I990-A992 PolarHBondContact O-N 2.96Å; A992-L994 VanDerWaalsContact C-N 3.29Å; A992-L994 PolarHBondContact O-N 3.45Å; A992-G995 PolarHBondContact O-N 3.26Å; A992-L1000 HydrophobicContact CB-CD2 4.23Å; A992-A1020 HydrophobicContact CB-CB 4.12Å; A992-A1020 WeakPolarHBondContact CB-O 3.48Å; A992-A1024 HydrophobicContact CB-CB 4.14Å; A992-N1029 PolarHBondContact O-ND2 3.3Å; A992-N1029 VanDerWaalsContact O-ND2 3.13Å; A992-L1036 HydrophobicContact CB-CD1 4.1Å |
| 993 | T | 94.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 19.2 Ų | 19.2 | 27% | 0.27 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | H989 I990 Y1023 S1027 N1029 | H989-T993 WeakPolarHBondContact O-CB 3.32Å; H989-T993 PolarHBondContact O-N 3.25Å; H989-T993 PolarHBondContact O-OG1 3.24Å; I990-T993 WeakPolarHBondContact O-CB 3.22Å; I990-T993 PolarHBondContact O-N 3Å; I990-T993 VanDerWaalsContact O-N 3.16Å; T993-Y1023 VanDerWaalsContact OG1-CD1 3.3Å; T993-Y1023 WeakPolarHBondContact OG1-CD1 3.13Å; T993-S1027 WeakPolarHBondContact O-CB 3.2Å; T993-S1027 PolarHBondContact O-OG 2.71Å; T993-N1029 PolarHBondContact O-ND2 2.9Å; T993-N1029 VanDerWaalsContact O-ND2 3.08Å |
| 994 | L | 94.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 19 Ų | 19 | 34% | 0.335 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -76.4 | -20.4 | 177.9 | -69.1 | 172.3 | 0 | 0 | 0 | 114.1 | I955 Q958 I990 A991 A992 N996 | I955-L994 HydrophobicContact CG2-CD1 3.98Å; I955-L994 WeakPolarHBondContact O-CD1 3.41Å; Q958-L994 HydrophobicContact CG-CD1 4.34Å; I990-L994 HydrophobicContact CG2-CD1 4.13Å; I990-L994 HydrophobicContact CG2-CG 4.48Å; I990-L994 WeakPolarHBondContact O-CG 3.41Å; I990-L994 PolarHBondContact O-N 3.23Å; A991-L994 PolarHBondContact O-N 2.83Å; A992-L994 VanDerWaalsContact C-N 3.29Å; A992-L994 PolarHBondContact O-N 3.45Å; L994-N996 VanDerWaalsContact C-N 3.3Å; L994-N996 HydrophobicContact CB-CB 4.45Å |
| 995 | G | 93.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 19.3 Ų | 19.3 | 27% | 0.268 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 20.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A991 A992 L997 N1029 C1032 | A991-G995 PolarHBondContact O-N 2.9Å; A991-G995 VanDerWaalsContact O-N 3.08Å; A992-G995 PolarHBondContact O-N 3.26Å; G995-L997 PolarHBondContact O-N 2.72Å; G995-N1029 WeakPolarHBondContact CA-ND2 3.3Å; G995-N1029 PolarHBondContact N-ND2 2.59Å; G995-C1032 PolarHBondContact O-SG 2.85Å |
| 996 | N | 94.2 | Very high | 94.7 | Very high | 29 Ų | 29 | 17.1 Ų | 17.1 | 16% | 0.155 | 9% | 0.094 | C | C | . | . | trans | -86.6 | 93.3 | -177.8 | -169 | -44.7 | 0 | 0 | 0 | 110.6 | A991 L994 V998 Y999 L1000 | A991-N996 PolarHBondContact O-N 3.48Å; L994-N996 VanDerWaalsContact C-N 3.3Å; L994-N996 HydrophobicContact CB-CB 4.45Å; N996-V998 VanDerWaalsContact C-N 3.27Å; N996-V998 PolarHBondContact O-N 2.79Å; N996-V998 WeakPolarHBondContact OD1-CB 3.35Å; N996-V998 PolarHBondContact OD1-N 3.01Å; N996-Y999 HydrophobicContact CB-CD2 3.83Å; N996-Y999 HydrophobicContact CB-CE2 4.47Å; N996-Y999 HydrophobicContact CB-CG 4.16Å; N996-Y999 VanDerWaalsContact CG-CD2 3.44Å; N996-Y999 WeakPolarHBondContact ND2-CD2 3.49Å; N996-Y999 WeakPolarHBondContact ND2-CE2 3.47Å; N996-Y999 PolarHBondContact O-N 3.17Å; N996-Y999 PolarHBondContact OD1-N 2.83Å; N996-L1000 PolarHBondContact O-N 2.89Å | ||
| 997 | L | 93.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 21.8 Ų | 21.8 | 23% | 0.225 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.9 | -33.5 | 180 | -172.7 | 60.2 | 0 | 0 | 0 | 113.1 | E858 G995 L1000 Q1001 F1035 | E858-L997 HydrophobicContact CB-CD2 4.49Å; E858-L997 HydrophobicContact CB-CG 4.44Å; E858-L997 HydrophobicContact CG-CD1 4.18Å; E858-L997 HydrophobicContact CG-CD2 3.97Å; E858-L997 HydrophobicContact CG-CG 4.2Å; G995-L997 PolarHBondContact O-N 2.72Å; L997-L1000 PolarHBondContact O-N 3.31Å; L997-Q1001 WeakPolarHBondContact O-CB 3.21Å; L997-Q1001 PolarHBondContact O-N 2.87Å; L997-F1035 HydrophobicContact CD1-CB 3.76Å; L997-F1035 HydrophobicContact CD1-CD1 3.57Å; L997-F1035 HydrophobicContact CD1-CD2 3.88Å; L997-F1035 HydrophobicContact CD1-CE1 4.09Å; L997-F1035 HydrophobicContact CD1-CE2 4.35Å; L997-F1035 HydrophobicContact CD1-CG 3.44Å; L997-F1035 VanDerWaalsContact CD1-CG 3.44Å; L997-F1035 HydrophobicContact CD1-CZ 4.45Å |
| 998 | V | 94.8 | Very high | 94.4 | Very high | 18 Ų | 18 | 22 Ų | 22 | 11% | 0.109 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 176.4 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | S861 V862 A865 N996 Q1001 L1002 | S861-V998 WeakPolarHBondContact O-CG2 3.41Å; V862-V998 HydrophobicContact CB-CG1 4.47Å; V862-V998 HydrophobicContact CG1-CG1 4.5Å; V862-V998 HydrophobicContact CG2-CB 4.4Å; V862-V998 HydrophobicContact CG2-CG1 4.1Å; V862-V998 HydrophobicContact CG2-CG2 4.44Å; A865-V998 HydrophobicContact CB-CG1 4.05Å; A865-V998 HydrophobicContact CB-CG2 3.95Å; N996-V998 VanDerWaalsContact C-N 3.27Å; N996-V998 PolarHBondContact O-N 2.79Å; N996-V998 WeakPolarHBondContact OD1-CB 3.35Å; N996-V998 PolarHBondContact OD1-N 3.01Å; V998-Q1001 PolarHBondContact O-N 2.74Å; V998-L1002 HydrophobicContact CG1-CD1 3.99Å; V998-L1002 WeakPolarHBondContact O-CB 3.45Å; V998-L1002 VanDerWaalsContact O-CG 3.3Å; V998-L1002 WeakPolarHBondContact O-CG 3.41Å; V998-L1002 PolarHBondContact O-N 3.05Å |
| 999 | Y | 96.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 177.3 | -63.4 | -14.1 | 0 | 0 | 0 | 112.3 | I955 Q958 T960 V963 N996 L1002 L1003 | I955-Y999 HydrophobicContact CB-CD2 4.48Å; I955-Y999 HydrophobicContact CG1-CD2 4.37Å; I955-Y999 HydrophobicContact CG2-CD2 4.05Å; Q958-Y999 VanDerWaalsContact CA-OH 3.32Å; Q958-Y999 WeakPolarHBondContact CA-OH 3.35Å; Q958-Y999 HydrophobicContact CB-CE2 4.34Å; Q958-Y999 HydrophobicContact CG-CE2 4.37Å; Q958-Y999 PolarHBondContact O-OH 3.47Å; Q958-Y999 VanDerWaalsContact O-OH 3.12Å; T960-Y999 HydrophobicContact CG2-CE1 4.3Å; T960-Y999 PolarHBondContact N-OH 3.49Å; T960-Y999 PolarHBondContact OG1-OH 3.3Å; V963-Y999 HydrophobicContact CG1-CD1 4.39Å; V963-Y999 HydrophobicContact CG1-CE1 4.48Å; N996-Y999 HydrophobicContact CB-CD2 3.83Å; N996-Y999 HydrophobicContact CB-CE2 4.47Å; N996-Y999 HydrophobicContact CB-CG 4.16Å; N996-Y999 VanDerWaalsContact CG-CD2 3.44Å; N996-Y999 WeakPolarHBondContact ND2-CD2 3.49Å; N996-Y999 WeakPolarHBondContact ND2-CE2 3.47Å; N996-Y999 PolarHBondContact O-N 3.17Å; N996-Y999 PolarHBondContact OD1-N 2.83Å; Y999-L1002 HydrophobicContact CD1-CD1 4.36Å; Y999-L1002 PolarHBondContact O-N 2.93Å; Y999-L1003 WeakPolarHBondContact O-CB 3.49Å; Y999-L1003 WeakPolarHBondContact O-CD1 3.44Å; Y999-L1003 WeakPolarHBondContact O-CG 3.31Å; Y999-L1003 PolarHBondContact O-N 2.9Å |
| 1000 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 172.1 | -71 | 176.2 | 0 | 0 | 0 | 111.7 | I988 A991 A992 N996 L997 L1002 L1003 L1004 C1032 F1035 L1036 | I988-L1000 HydrophobicContact CG1-CD2 3.78Å; A991-L1000 HydrophobicContact CB-CD2 3.72Å; A991-L1000 HydrophobicContact CB-CG 4.04Å; A992-L1000 HydrophobicContact CB-CD2 4.23Å; N996-L1000 PolarHBondContact O-N 2.89Å; L997-L1000 PolarHBondContact O-N 3.31Å; L1000-L1002 PolarHBondContact O-N 2.96Å; L1000-L1003 PolarHBondContact O-N 2.93Å; L1000-L1004 VanDerWaalsContact O-CG 3.31Å; L1000-L1004 WeakPolarHBondContact O-CG 3.44Å; L1000-L1004 PolarHBondContact O-N 2.59Å; L1000-L1004 VanDerWaalsContact O-N 3.1Å; L1000-C1032 HydrophobicContact CD1-CB 3.73Å; L1000-F1035 HydrophobicContact CB-CD1 4.25Å; L1000-F1035 HydrophobicContact CB-CE1 3.89Å; L1000-F1035 HydrophobicContact CD1-CD1 4.46Å; L1000-L1036 HydrophobicContact CD1-CD1 4.31Å; L1000-L1036 HydrophobicContact CD1-CG 4.37Å; L1000-L1036 HydrophobicContact CD2-CD2 4.38Å |
| 1001 | Q | 94.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 179.4 | -177.3 | 59.8 | 94.6 | 0 | 0 | 112.4 | E858 V862 L997 V998 W1005 F1035 | E858-Q1001 HydrophobicContact CB-CG 4.33Å; V862-Q1001 HydrophobicContact CG2-CB 3.82Å; V862-Q1001 HydrophobicContact CG2-CG 3.75Å; L997-Q1001 WeakPolarHBondContact O-CB 3.21Å; L997-Q1001 PolarHBondContact O-N 2.87Å; V998-Q1001 PolarHBondContact O-N 2.74Å; Q1001-W1005 HydrophobicContact CG-CD2 4.25Å; Q1001-W1005 HydrophobicContact CG-CE3 4.26Å; Q1001-W1005 HydrophobicContact CG-CH2 3.69Å; Q1001-W1005 HydrophobicContact CG-CZ2 3.66Å; Q1001-W1005 HydrophobicContact CG-CZ3 4.01Å; Q1001-W1005 VanDerWaalsContact NE2-CE2 3.32Å; Q1001-W1005 VanDerWaalsContact NE2-NE1 3.19Å; Q1001-W1005 PolarHBondContact O-N 3.17Å; Q1001-F1035 HydrophobicContact CB-CZ 4.02Å; Q1001-F1035 HydrophobicContact CG-CZ 4.46Å |
| 1002 | L | 95.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -51.1 | 172.8 | -75.4 | 167.3 | 0 | 0 | 0 | 111.6 | V862 I866 L967 V998 Y999 L1000 L1004 W1005 Y1006 | V862-L1002 HydrophobicContact CG1-CD1 4.49Å; V862-L1002 HydrophobicContact CG1-CD2 3.77Å; V862-L1002 HydrophobicContact CG1-CG 4.03Å; V862-L1002 HydrophobicContact CG2-CG 4.44Å; I866-L1002 HydrophobicContact CD1-CD1 4.25Å; I866-L1002 HydrophobicContact CD1-CD2 4.25Å; L967-L1002 HydrophobicContact CD1-CB 4.03Å; V998-L1002 HydrophobicContact CG1-CD1 3.99Å; V998-L1002 WeakPolarHBondContact O-CB 3.45Å; V998-L1002 VanDerWaalsContact O-CG 3.3Å; V998-L1002 WeakPolarHBondContact O-CG 3.41Å; V998-L1002 PolarHBondContact O-N 3.05Å; Y999-L1002 HydrophobicContact CD1-CD1 4.36Å; Y999-L1002 PolarHBondContact O-N 2.93Å; L1000-L1002 PolarHBondContact O-N 2.96Å; L1002-L1004 VanDerWaalsContact C-N 3.32Å; L1002-L1004 PolarHBondContact O-N 3.23Å; L1002-W1005 HydrophobicContact CD2-CE3 4.4Å; L1002-W1005 CarbonylContact O-C 3.51Å; L1002-W1005 WeakPolarHBondContact O-CA 3.2Å; L1002-W1005 WeakPolarHBondContact O-CB 3.34Å; L1002-W1005 PolarHBondContact O-N 2.9Å; L1002-Y1006 WeakPolarHBondContact O-CD2 3.39Å; L1002-Y1006 PolarHBondContact O-N 3.14Å |
| 1003 | L | 95.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | -178.7 | -73.8 | 165.7 | 0 | 0 | 0 | 111.7 | L951 I955 L967 V975 A987 I988 A991 Y999 L1000 W1005 Y1006 N1007 G1008 | L951-L1003 HydrophobicContact CD2-CD2 4.36Å; I955-L1003 HydrophobicContact CD1-CD1 4.12Å; I955-L1003 HydrophobicContact CD1-CD2 4.32Å; L967-L1003 HydrophobicContact CD2-CD2 4.16Å; V975-L1003 HydrophobicContact CG1-CD2 3.72Å; A987-L1003 HydrophobicContact CB-CD1 4.08Å; A987-L1003 HydrophobicContact CB-CD2 3.69Å; I988-L1003 HydrophobicContact CB-CD1 4.37Å; A991-L1003 HydrophobicContact CB-CD1 3.84Å; Y999-L1003 WeakPolarHBondContact O-CB 3.49Å; Y999-L1003 WeakPolarHBondContact O-CD1 3.44Å; Y999-L1003 WeakPolarHBondContact O-CG 3.31Å; Y999-L1003 PolarHBondContact O-N 2.9Å; L1000-L1003 PolarHBondContact O-N 2.93Å; L1003-W1005 VanDerWaalsContact C-N 3.29Å; L1003-W1005 PolarHBondContact O-N 3.29Å; L1003-Y1006 CarbonylContact O-C 3.6Å; L1003-Y1006 VanDerWaalsContact O-C 3.3Å; L1003-Y1006 PolarHBondContact O-N 3Å; L1003-N1007 PolarHBondContact O-N 3.37Å; L1003-G1008 WeakPolarHBondContact O-CA 3.42Å; L1003-G1008 PolarHBondContact O-N 2.95Å |
| 1004 | L | 93.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 31 Ų | 31 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -35 | 175.2 | -66.5 | 170.1 | 0 | 0 | 0 | 112.6 | I988 L1000 L1002 Y1006 N1007 P1010 F1035 N1039 | I988-L1004 HydrophobicContact CD1-CD2 4.27Å; L1000-L1004 VanDerWaalsContact O-CG 3.31Å; L1000-L1004 WeakPolarHBondContact O-CG 3.44Å; L1000-L1004 PolarHBondContact O-N 2.59Å; L1000-L1004 VanDerWaalsContact O-N 3.1Å; L1002-L1004 VanDerWaalsContact C-N 3.32Å; L1002-L1004 PolarHBondContact O-N 3.23Å; L1004-Y1006 VanDerWaalsContact C-N 3.35Å; L1004-N1007 PolarHBondContact O-N 2.94Å; L1004-P1010 HydrophobicContact CD2-CB 4.14Å; L1004-P1010 HydrophobicContact CD2-CG 4.04Å; L1004-F1035 HydrophobicContact CD1-CE1 3.53Å; L1004-F1035 HydrophobicContact CD1-CZ 3.72Å; L1004-N1039 HydrophobicContact CD1-CB 3.83Å |
| 1005 | W | 92.7 | Very high | 92.5 | Very high | 32 Ų | 32 | 34 Ų | 34 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.1 | -22.9 | 173.6 | -71.8 | -19.3 | 0 | 0 | 0 | 113.7 | L823 N824 R846 V862 Q1001 L1002 L1003 | L823-W1005 HydrophobicContact CB-CE3 4.42Å; L823-W1005 HydrophobicContact CB-CH2 3.68Å; L823-W1005 HydrophobicContact CB-CZ2 4.09Å; L823-W1005 HydrophobicContact CB-CZ3 3.85Å; L823-W1005 HydrophobicContact CD1-CH2 4.32Å; L823-W1005 HydrophobicContact CD1-CZ2 4.07Å; L823-W1005 HydrophobicContact CG-CH2 4.41Å; L823-W1005 VanDerWaalsContact O-CZ3 3.28Å; L823-W1005 WeakPolarHBondContact O-CZ3 3.4Å; N824-W1005 HydrophobicContact CB-CB 4.2Å; N824-W1005 HydrophobicContact CB-CE3 4.18Å; R846-W1005 PolarHBondContact NH1-O 2.92Å; R846-W1005 PolarHBondContact NH2-O 3.44Å; V862-W1005 HydrophobicContact CB-CH2 4.42Å; V862-W1005 HydrophobicContact CB-CZ3 4.08Å; V862-W1005 HydrophobicContact CG1-CZ3 3.94Å; V862-W1005 HydrophobicContact CG2-CH2 4.29Å; V862-W1005 HydrophobicContact CG2-CZ3 4Å; Q1001-W1005 HydrophobicContact CG-CD2 4.25Å; Q1001-W1005 HydrophobicContact CG-CE3 4.26Å; Q1001-W1005 HydrophobicContact CG-CH2 3.69Å; Q1001-W1005 HydrophobicContact CG-CZ2 3.66Å; Q1001-W1005 HydrophobicContact CG-CZ3 4.01Å; Q1001-W1005 VanDerWaalsContact NE2-CE2 3.32Å; Q1001-W1005 VanDerWaalsContact NE2-NE1 3.19Å; Q1001-W1005 PolarHBondContact O-N 3.17Å; L1002-W1005 HydrophobicContact CD2-CE3 4.4Å; L1002-W1005 CarbonylContact O-C 3.51Å; L1002-W1005 WeakPolarHBondContact O-CA 3.2Å; L1002-W1005 WeakPolarHBondContact O-CB 3.34Å; L1002-W1005 PolarHBondContact O-N 2.9Å; L1003-W1005 VanDerWaalsContact C-N 3.29Å; L1003-W1005 PolarHBondContact O-N 3.29Å |
| 1006 | Y | 93.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 35.6 | 172.3 | -72.7 | -90.6 | 0 | 0 | 0 | 112.1 | N824 L967 V975 L1002 L1003 L1004 G1008 | N824-Y1006 HydrophobicContact CB-CE2 4.09Å; N824-Y1006 PolarHBondContact ND2-OH 3.35Å; N824-Y1006 WeakPolarHBondContact O-CE2 3.4Å; N824-Y1006 PolarHBondContact O-OH 3.3Å; L967-Y1006 HydrophobicContact CB-CD1 4.23Å; L967-Y1006 HydrophobicContact CB-CD2 4.17Å; L967-Y1006 HydrophobicContact CB-CE1 4.33Å; L967-Y1006 HydrophobicContact CB-CE2 4.26Å; L967-Y1006 HydrophobicContact CB-CG 4.17Å; L967-Y1006 HydrophobicContact CD1-CD2 3.98Å; L967-Y1006 HydrophobicContact CD1-CE2 4.3Å; L967-Y1006 HydrophobicContact CD2-CD2 4.36Å; L967-Y1006 HydrophobicContact CD2-CG 4.15Å; L967-Y1006 HydrophobicContact CG-CD2 4.4Å; V975-Y1006 WeakPolarHBondContact CG2-O 3.46Å; L1002-Y1006 WeakPolarHBondContact O-CD2 3.39Å; L1002-Y1006 PolarHBondContact O-N 3.14Å; L1003-Y1006 CarbonylContact O-C 3.6Å; L1003-Y1006 VanDerWaalsContact O-C 3.3Å; L1003-Y1006 PolarHBondContact O-N 3Å; L1004-Y1006 VanDerWaalsContact C-N 3.35Å; Y1006-G1008 VanDerWaalsContact C-N 3.26Å; Y1006-G1008 PolarHBondContact O-N 3.32Å |
| 1007 | N | 91.9 | Very high | 91.7 | Very high | 98 Ų | 98 | 38.5 Ų | 38.5 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 24.1 | 174.1 | -69.1 | 78.1 | 0 | 0 | 0 | 115.4 | P972 N976 L1003 L1004 D1009 | P972-N1007 HydrophobicContact CB-CB 3.94Å; P972-N1007 HydrophobicContact CG-CB 3.93Å; N976-N1007 PolarHBondContact ND2-O 2.83Å; L1003-N1007 PolarHBondContact O-N 3.37Å; L1004-N1007 PolarHBondContact O-N 2.94Å; N1007-D1009 PolarHBondContact O-N 3.17Å |
| 1008 | G | 91.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | trans | -61.9 | 128.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N976 L1003 Y1006 | N976-G1008 WeakPolarHBondContact OD1-CA 3.06Å; L1003-G1008 WeakPolarHBondContact O-CA 3.42Å; L1003-G1008 PolarHBondContact O-N 2.95Å; Y1006-G1008 VanDerWaalsContact C-N 3.26Å; Y1006-G1008 PolarHBondContact O-N 3.32Å | ||
| 1009 | D | 91.9 | Very high | 91.5 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | trans | -93.4 | 118.3 | -178.3 | 168.8 | 26.2 | 0 | 0 | 0 | 110.6 | N976 N1007 A1011 V1012 | N976-D1009 PolarHBondContact OD1-N 3.05Å; N1007-D1009 PolarHBondContact O-N 3.17Å; D1009-A1011 PolarHBondContact O-N 2.88Å; D1009-A1011 WeakPolarHBondContact OD1-CB 3.38Å; D1009-A1011 PolarHBondContact OD1-N 3.38Å; D1009-V1012 HydrophobicContact CB-CG2 3.84Å; D1009-V1012 WeakPolarHBondContact O-CG2 3.33Å; D1009-V1012 PolarHBondContact O-N 3.21Å | ||
| 1010 | P | 91.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 38 Ų | 38 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11 | 177.9 | 28.5 | -32.6 | 0 | 0 | 0 | 114 | I988 L1004 L1036 N1039 C1041 | I988-P1010 HydrophobicContact CD1-CB 4.39Å; L1004-P1010 HydrophobicContact CD2-CB 4.14Å; L1004-P1010 HydrophobicContact CD2-CG 4.04Å; P1010-L1036 HydrophobicContact CB-CD2 4.48Å; P1010-N1039 VanDerWaalsContact CG-O 3.27Å; P1010-N1039 WeakPolarHBondContact CG-O 3.31Å; P1010-C1041 HydrophobicContact CB-CB 3.92Å; P1010-C1041 PolarHBondContact O-SG 2.78Å |
| 1011 | A | 90.6 | Very high | 91.3 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1009 T1013 P1042 | D1009-A1011 PolarHBondContact O-N 2.88Å; D1009-A1011 WeakPolarHBondContact OD1-CB 3.38Å; D1009-A1011 PolarHBondContact OD1-N 3.38Å; A1011-T1013 PolarHBondContact O-N 3.47Å; A1011-P1042 HydrophobicContact CB-CG 4.33Å |
| 1012 | V | 90.7 | Very high | 91.2 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | trans | -56.4 | 127.7 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | N976 A986 H989 D1009 N1019 | N976-V1012 HydrophobicContact CB-CG2 4.22Å; A986-V1012 HydrophobicContact CB-CG1 4.18Å; H989-V1012 VanDerWaalsContact CE1-CG1 3.45Å; H989-V1012 WeakPolarHBondContact CE1-CG1 3.45Å; H989-V1012 PolarHBondContact NE2-O 3.45Å; D1009-V1012 HydrophobicContact CB-CG2 3.84Å; D1009-V1012 WeakPolarHBondContact O-CG2 3.33Å; D1009-V1012 PolarHBondContact O-N 3.21Å; V1012-N1019 WeakPolarHBondContact O-CA 3.14Å | ||
| 1013 | T | 91.6 | Very high | 91.1 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -111.4 | 149.3 | 173.4 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | H989 A1011 R1018 N1019 | H989-T1013 VanDerWaalsContact CE1-CA 3.48Å; H989-T1013 WeakPolarHBondContact CE1-CA 3.36Å; H989-T1013 PolarHBondContact CE1-O 2.85Å; H989-T1013 VanDerWaalsContact CE1-O 3.28Å; A1011-T1013 PolarHBondContact O-N 3.47Å; T1013-R1018 CarbonylContact C-O 3.45Å; T1013-R1018 VanDerWaalsContact CA-O 3.27Å; T1013-R1018 WeakPolarHBondContact CA-O 3.32Å; T1013-N1019 HydrophobicContact CG2-CB 4.14Å |
| 1014 | D | 88.3 | Confident | 91 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | trans | -76.9 | -174.5 | 168.4 | 77.9 | -5.5 | 0 | 0 | 0 | 112.8 | P984 H989 E1016 G1017 R1018 Y1023 | P984-D1014 HydrophobicContact CB-CB 3.91Å; P984-D1014 HydrophobicContact CG-CB 3.81Å; H989-D1014 VanDerWaalsContact CE1-CA 3.42Å; H989-D1014 WeakPolarHBondContact CE1-CA 3.16Å; H989-D1014 PolarHBondContact CE1-N 3.41Å; D1014-E1016 PolarHBondContact O-N 3.46Å; D1014-E1016 VanDerWaalsContact O-N 3.12Å; D1014-E1016 WeakPolarHBondContact OD1-CA 3.47Å; D1014-E1016 WeakPolarHBondContact OD1-CB 3.3Å; D1014-E1016 PolarHBondContact OD1-N 3.45Å; D1014-G1017 PolarHBondContact O-N 3.21Å; D1014-G1017 VanDerWaalsContact O-N 3.08Å; D1014-G1017 PolarHBondContact OD1-N 2.88Å; D1014-G1017 VanDerWaalsContact OD1-N 3.13Å; D1014-R1018 PolarHBondContact N-O 3.03Å; D1014-R1018 WeakPolarHBondContact OD1-CB 3.31Å; D1014-R1018 PolarHBondContact OD1-N 2.84Å; D1014-R1018 IonicContact OD1-NE 3.27Å; D1014-R1018 IonicContact OD2-CZ 2.65Å; D1014-R1018 IonicContact OD2-NE 2.73Å; D1014-R1018 PolarHBondContact OD2-NE 3.03Å; D1014-R1018 IonicContact OD2-NH2 3.39Å; D1014-R1018 PolarHBondContact OD2-NH2 2.69Å; D1014-Y1023 PolarHBondContact OD2-OH 2.9Å | ||
| 1015 | H | 82.8 | Confident | 90.9 | Very high | 128 Ų | 128 | 42.8 Ų | 42.8 | 59% | 0.593 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.3 | 179.5 | 67.4 | -153 | 0 | 0 | 0 | 114.8 | P984 | P984-H1015 HydrophobicContact CB-CB 3.99Å; P984-H1015 HydrophobicContact CG-CB 4.38Å; P984-H1015 WeakPolarHBondContact CG-ND1 3.42Å |
| 1016 | E | 84.4 | Confident | 90.8 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 6.5 | -179.6 | -93.5 | 159.6 | -85.2 | 0 | 0 | 110.4 | D1014 R1018 | D1014-E1016 PolarHBondContact O-N 3.46Å; D1014-E1016 VanDerWaalsContact O-N 3.12Å; D1014-E1016 WeakPolarHBondContact OD1-CA 3.47Å; D1014-E1016 WeakPolarHBondContact OD1-CB 3.3Å; D1014-E1016 PolarHBondContact OD1-N 3.45Å; E1016-R1018 VanDerWaalsContact C-N 3.3Å; E1016-R1018 HydrophobicContact CB-CG 4.18Å; E1016-R1018 PolarHBondContact O-N 3.48Å; E1016-R1018 IonicContact OE1-CZ 3.92Å; E1016-R1018 IonicContact OE1-NH1 3.16Å; E1016-R1018 PolarHBondContact OE1-NH1 2.98Å; E1016-R1018 IonicContact OE1-NH2 2.71Å; E1016-R1018 PolarHBondContact OE1-NH2 3.32Å; E1016-R1018 IonicContact OE2-CZ 3.49Å; E1016-R1018 VanDerWaalsContact OE2-CZ 3.28Å; E1016-R1018 IonicContact OE2-NH1 2.7Å; E1016-R1018 PolarHBondContact OE2-NH1 2.95Å; E1016-R1018 IonicContact OE2-NH2 3.23Å; E1016-R1018 PolarHBondContact OE2-NH2 3.43Å |
| 1017 | G | 87.1 | Confident | 90.7 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 73.2 | 19 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1014 Q1044 | D1014-G1017 PolarHBondContact O-N 3.21Å; D1014-G1017 VanDerWaalsContact O-N 3.08Å; D1014-G1017 PolarHBondContact OD1-N 2.88Å; D1014-G1017 VanDerWaalsContact OD1-N 3.13Å; G1017-Q1044 PolarHBondContact O-NE2 2.86Å; G1017-Q1044 PolarHBondContact O-OE1 3.42Å |
| 1018 | R | 90.7 | Very high | 90.7 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 18% | 0.177 | 25% | 0.245 | C | C | . | . | trans | -91 | 129.1 | -179.8 | -57.4 | -179.5 | -67.5 | -130.5 | -9.9 | 111.1 | H989 T1013 D1014 E1016 Y1022 Y1023 | H989-R1018 PolarHBondContact NE2-O 3.48Å; T1013-R1018 CarbonylContact C-O 3.45Å; T1013-R1018 VanDerWaalsContact CA-O 3.27Å; T1013-R1018 WeakPolarHBondContact CA-O 3.32Å; D1014-R1018 PolarHBondContact N-O 3.03Å; D1014-R1018 WeakPolarHBondContact OD1-CB 3.31Å; D1014-R1018 PolarHBondContact OD1-N 2.84Å; D1014-R1018 IonicContact OD1-NE 3.27Å; D1014-R1018 IonicContact OD2-CZ 2.65Å; D1014-R1018 IonicContact OD2-NE 2.73Å; D1014-R1018 PolarHBondContact OD2-NE 3.03Å; D1014-R1018 IonicContact OD2-NH2 3.39Å; D1014-R1018 PolarHBondContact OD2-NH2 2.69Å; E1016-R1018 VanDerWaalsContact C-N 3.3Å; E1016-R1018 HydrophobicContact CB-CG 4.18Å; E1016-R1018 PolarHBondContact O-N 3.48Å; E1016-R1018 IonicContact OE1-CZ 3.92Å; E1016-R1018 IonicContact OE1-NH1 3.16Å; E1016-R1018 PolarHBondContact OE1-NH1 2.98Å; E1016-R1018 IonicContact OE1-NH2 2.71Å; E1016-R1018 PolarHBondContact OE1-NH2 3.32Å; E1016-R1018 IonicContact OE2-CZ 3.49Å; E1016-R1018 VanDerWaalsContact OE2-CZ 3.28Å; E1016-R1018 IonicContact OE2-NH1 2.7Å; E1016-R1018 PolarHBondContact OE2-NH1 2.95Å; E1016-R1018 IonicContact OE2-NH2 3.23Å; E1016-R1018 PolarHBondContact OE2-NH2 3.43Å; R1018-Y1022 HydrophobicContact CB-CD1 4.07Å; R1018-Y1022 HydrophobicContact CB-CG 4.14Å; R1018-Y1022 VanDerWaalsContact CD-CE1 3.42Å; R1018-Y1022 HydrophobicContact CG-CD1 4.04Å; R1018-Y1022 HydrophobicContact CG-CD2 4.43Å; R1018-Y1022 HydrophobicContact CG-CE1 4.21Å; R1018-Y1022 HydrophobicContact CG-CG 4.18Å; R1018-Y1023 HydrophobicContact CB-CE2 4.07Å; R1018-Y1023 PolarHBondContact NE-OH 3.35Å; R1018-Y1023 PolarHBondContact NH2-OH 3.12Å | ||
| 1019 | N | 92.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 179.4 | 175.9 | 70.6 | 14.6 | 0 | 0 | 0 | 113.1 | H989 V1012 T1013 F1021 Y1022 Y1023 P1042 Q1044 | H989-N1019 VanDerWaalsContact NE2-CA 3.28Å; H989-N1019 WeakPolarHBondContact NE2-CA 3.4Å; V1012-N1019 WeakPolarHBondContact O-CA 3.14Å; T1013-N1019 HydrophobicContact CG2-CB 4.14Å; N1019-F1021 VanDerWaalsContact C-N 3.27Å; N1019-F1021 PolarHBondContact O-N 2.99Å; N1019-F1021 WeakPolarHBondContact OD1-CB 3.4Å; N1019-F1021 PolarHBondContact OD1-N 3.28Å; N1019-F1021 VanDerWaalsContact OD1-N 3.13Å; N1019-Y1022 WeakPolarHBondContact O-CB 3.43Å; N1019-Y1022 PolarHBondContact O-N 3.21Å; N1019-Y1022 VanDerWaalsContact O-N 3.17Å; N1019-Y1022 PolarHBondContact OD1-N 2.12Å; N1019-Y1022 VanDerWaalsContact OD1-N 3.16Å; N1019-Y1023 WeakPolarHBondContact O-CD2 3.4Å; N1019-Y1023 PolarHBondContact O-N 2.51Å; N1019-P1042 PolarHBondContact ND2-O 3.46Å; N1019-Q1044 PolarHBondContact OD1-OE1 3.26Å |
| 1020 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -34.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I988 H989 A992 Y1023 A1024 L1036 | I988-A1020 HydrophobicContact CD1-CB 4.4Å; I988-A1020 HydrophobicContact CG1-CB 3.97Å; I988-A1020 HydrophobicContact CG2-CB 4.45Å; H989-A1020 PolarHBondContact NE2-N 3.39Å; A992-A1020 HydrophobicContact CB-CB 4.12Å; A992-A1020 WeakPolarHBondContact CB-O 3.48Å; A1020-Y1023 PolarHBondContact O-N 2.68Å; A1020-A1024 PolarHBondContact O-N 2.59Å; A1020-L1036 HydrophobicContact CB-CD1 3.68Å; A1020-L1036 HydrophobicContact CB-CD2 3.92Å; A1020-L1036 HydrophobicContact CB-CG 4.46Å |
| 1021 | F | 93.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.5 | 174.6 | -91 | 0 | 0 | 0 | 111.8 | N1019 Y1023 A1024 H1025 A1033 L1037 K1043 Q1044 V1046 | N1019-F1021 VanDerWaalsContact C-N 3.27Å; N1019-F1021 PolarHBondContact O-N 2.99Å; N1019-F1021 WeakPolarHBondContact OD1-CB 3.4Å; N1019-F1021 PolarHBondContact OD1-N 3.28Å; N1019-F1021 VanDerWaalsContact OD1-N 3.13Å; F1021-Y1023 VanDerWaalsContact C-N 3.34Å; F1021-Y1023 PolarHBondContact O-N 2.72Å; F1021-A1024 PolarHBondContact O-N 2.94Å; F1021-H1025 HydrophobicContact CE1-CB 4.42Å; F1021-H1025 AromaticContact CZ-CD2 3.93Å; F1021-H1025 VanDerWaalsContact O-CB 3.28Å; F1021-H1025 WeakPolarHBondContact O-CB 3.12Å; F1021-H1025 PolarHBondContact O-N 3.36Å; F1021-A1033 HydrophobicContact CD2-CB 3.91Å; F1021-A1033 WeakPolarHBondContact CD2-O 3.37Å; F1021-A1033 HydrophobicContact CE2-CB 3.78Å; F1021-L1037 HydrophobicContact CD2-CD1 4.2Å; F1021-L1037 HydrophobicContact CD2-CD2 3.62Å; F1021-L1037 HydrophobicContact CD2-CG 3.68Å; F1021-L1037 HydrophobicContact CE2-CD1 3.66Å; F1021-L1037 HydrophobicContact CE2-CD2 3.85Å; F1021-L1037 HydrophobicContact CE2-CG 3.68Å; F1021-L1037 HydrophobicContact CG-CD2 4.19Å; F1021-L1037 HydrophobicContact CZ-CD1 4.39Å; F1021-K1043 HydrophobicContact CD1-CG 4.46Å; F1021-K1043 HydrophobicContact CE1-CG 3.92Å; F1021-K1043 HydrophobicContact CZ-CD 4.5Å; F1021-K1043 HydrophobicContact CZ-CG 4Å; F1021-Q1044 HydrophobicContact CD1-CB 4.44Å; F1021-Q1044 WeakPolarHBondContact CE1-O 3.48Å; F1021-V1046 HydrophobicContact CE1-CG2 4.33Å |
| 1022 | Y | 92.5 | Very high | 90.9 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56 | -48.8 | 174.3 | -179.9 | -78.6 | 0 | 0 | 0 | 111 | R1018 N1019 H1025 C1026 Q1044 V1046 | R1018-Y1022 HydrophobicContact CB-CD1 4.07Å; R1018-Y1022 HydrophobicContact CB-CG 4.14Å; R1018-Y1022 VanDerWaalsContact CD-CE1 3.42Å; R1018-Y1022 HydrophobicContact CG-CD1 4.04Å; R1018-Y1022 HydrophobicContact CG-CD2 4.43Å; R1018-Y1022 HydrophobicContact CG-CE1 4.21Å; R1018-Y1022 HydrophobicContact CG-CG 4.18Å; N1019-Y1022 WeakPolarHBondContact O-CB 3.43Å; N1019-Y1022 PolarHBondContact O-N 3.21Å; N1019-Y1022 VanDerWaalsContact O-N 3.17Å; N1019-Y1022 PolarHBondContact OD1-N 2.12Å; N1019-Y1022 VanDerWaalsContact OD1-N 3.16Å; Y1022-H1025 PolarHBondContact O-N 2.83Å; Y1022-C1026 HydrophobicContact CE1-CB 4.39Å; Y1022-C1026 WeakPolarHBondContact CE1-SG 3.2Å; Y1022-C1026 VanDerWaalsContact CZ-SG 3.55Å; Y1022-C1026 WeakPolarHBondContact O-CB 3.27Å; Y1022-C1026 PolarHBondContact O-N 2.85Å; Y1022-C1026 PolarHBondContact O-SG 2.6Å; Y1022-C1026 VanDerWaalsContact O-SG 3.38Å; Y1022-Q1044 HydrophobicContact CD2-CG 4.44Å; Y1022-V1046 HydrophobicContact CD2-CG1 4.43Å; Y1022-V1046 HydrophobicContact CD2-CG2 3.96Å; Y1022-V1046 HydrophobicContact CE2-CG1 4.23Å |
| 1023 | Y | 92.9 | Very high | 91 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | -179.9 | -80 | -73.7 | 0 | 0 | 0 | 113 | H989 T993 D1014 R1018 N1019 A1020 F1021 H1025 C1026 S1027 | H989-Y1023 HydrophobicContact CB-CD2 3.79Å; H989-Y1023 HydrophobicContact CB-CE2 3.9Å; H989-Y1023 HydrophobicContact CB-CG 4.4Å; H989-Y1023 AromaticContact CD2-CD2 3.91Å; H989-Y1023 AromaticContact CG-CD2 3.89Å; H989-Y1023 AromaticContact CG-CE2 3.85Å; T993-Y1023 VanDerWaalsContact OG1-CD1 3.3Å; T993-Y1023 WeakPolarHBondContact OG1-CD1 3.13Å; D1014-Y1023 PolarHBondContact OD2-OH 2.9Å; R1018-Y1023 HydrophobicContact CB-CE2 4.07Å; R1018-Y1023 PolarHBondContact NE-OH 3.35Å; R1018-Y1023 PolarHBondContact NH2-OH 3.12Å; N1019-Y1023 WeakPolarHBondContact O-CD2 3.4Å; N1019-Y1023 PolarHBondContact O-N 2.51Å; A1020-Y1023 PolarHBondContact O-N 2.68Å; F1021-Y1023 VanDerWaalsContact C-N 3.34Å; F1021-Y1023 PolarHBondContact O-N 2.72Å; Y1023-H1025 PolarHBondContact O-N 2.86Å; Y1023-C1026 PolarHBondContact O-N 3.43Å; Y1023-S1027 PolarHBondContact O-N 3.04Å; Y1023-S1027 PolarHBondContact O-OG 2.96Å |
| 1024 | A | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A992 A1020 F1021 S1027 K1028 N1029 C1032 A1033 L1036 | A992-A1024 HydrophobicContact CB-CB 4.14Å; A1020-A1024 PolarHBondContact O-N 2.59Å; F1021-A1024 PolarHBondContact O-N 2.94Å; A1024-S1027 PolarHBondContact O-N 3.46Å; A1024-K1028 PolarHBondContact O-N 3.24Å; A1024-N1029 HydrophobicContact CB-CB 4.49Å; A1024-N1029 PolarHBondContact O-N 3.26Å; A1024-C1032 HydrophobicContact CB-CB 4.23Å; A1024-A1033 HydrophobicContact CB-CB 3.87Å; A1024-L1036 HydrophobicContact CB-CD1 4.17Å |
| 1025 | H | 92.1 | Very high | 91.2 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | -179.8 | -170.3 | -68.6 | 0 | 0 | 0 | 112.5 | F1021 Y1022 Y1023 K1028 V1046 | F1021-H1025 HydrophobicContact CE1-CB 4.42Å; F1021-H1025 AromaticContact CZ-CD2 3.93Å; F1021-H1025 VanDerWaalsContact O-CB 3.28Å; F1021-H1025 WeakPolarHBondContact O-CB 3.12Å; F1021-H1025 PolarHBondContact O-N 3.36Å; Y1022-H1025 PolarHBondContact O-N 2.83Å; Y1023-H1025 PolarHBondContact O-N 2.86Å; H1025-K1028 PolarHBondContact O-N 3.04Å; H1025-K1028 VanDerWaalsContact O-N 3.09Å; H1025-V1046 HydrophobicContact CB-CG2 4.07Å |
| 1026 | C | 91.3 | Very high | 91.7 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 30% | 0.297 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -36.9 | 175.2 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | Y1022 Y1023 K1028 V1046 | Y1022-C1026 HydrophobicContact CE1-CB 4.39Å; Y1022-C1026 WeakPolarHBondContact CE1-SG 3.2Å; Y1022-C1026 VanDerWaalsContact CZ-SG 3.55Å; Y1022-C1026 WeakPolarHBondContact O-CB 3.27Å; Y1022-C1026 PolarHBondContact O-N 2.85Å; Y1022-C1026 PolarHBondContact O-SG 2.6Å; Y1022-C1026 VanDerWaalsContact O-SG 3.38Å; Y1023-C1026 PolarHBondContact O-N 3.43Å; C1026-K1028 PolarHBondContact O-N 3.45Å; C1026-V1046 VanDerWaalsContact SG-CG1 3.59Å |
| 1027 | S | 91.5 | Very high | 92.1 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.5 | 170.6 | -72 | 0 | 0 | 0 | 0 | 114.1 | T993 Y1023 A1024 N1029 | T993-S1027 WeakPolarHBondContact O-CB 3.2Å; T993-S1027 PolarHBondContact O-OG 2.71Å; Y1023-S1027 PolarHBondContact O-N 3.04Å; Y1023-S1027 PolarHBondContact O-OG 2.96Å; A1024-S1027 PolarHBondContact O-N 3.46Å; S1027-N1029 VanDerWaalsContact C-N 3.26Å; S1027-N1029 WeakPolarHBondContact CB-ND2 3.22Å; S1027-N1029 PolarHBondContact O-N 3.41Å |
| 1028 | K | 92.1 | Very high | 92.2 | Very high | 133 Ų | 133 | 48.6 Ų | 48.6 | 58% | 0.578 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 22.1 | -172.8 | -49.7 | 176.2 | -176.2 | 175.8 | 0 | 114.4 | A1024 H1025 C1026 Y1030 | A1024-K1028 PolarHBondContact O-N 3.24Å; H1025-K1028 PolarHBondContact O-N 3.04Å; H1025-K1028 VanDerWaalsContact O-N 3.09Å; C1026-K1028 PolarHBondContact O-N 3.45Å; K1028-Y1030 VanDerWaalsContact C-N 3.25Å; K1028-Y1030 HydrophobicContact CB-CE2 3.93Å; K1028-Y1030 VanDerWaalsContact O-CD2 3.23Å; K1028-Y1030 WeakPolarHBondContact O-CD2 3.01Å; K1028-Y1030 WeakPolarHBondContact O-CE2 3.44Å; K1028-Y1030 PolarHBondContact O-N 3.29Å |
| 1029 | N | 92.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 49 Ų | 49 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | trans | -83.3 | 65.5 | 177.1 | -60.7 | -30.7 | 0 | 0 | 0 | 110.1 | A992 T993 G995 A1024 S1027 D1031 C1032 A1033 | A992-N1029 PolarHBondContact O-ND2 3.3Å; A992-N1029 VanDerWaalsContact O-ND2 3.13Å; T993-N1029 PolarHBondContact O-ND2 2.9Å; T993-N1029 VanDerWaalsContact O-ND2 3.08Å; G995-N1029 WeakPolarHBondContact CA-ND2 3.3Å; G995-N1029 PolarHBondContact N-ND2 2.59Å; A1024-N1029 HydrophobicContact CB-CB 4.49Å; A1024-N1029 PolarHBondContact O-N 3.26Å; S1027-N1029 VanDerWaalsContact C-N 3.26Å; S1027-N1029 WeakPolarHBondContact CB-ND2 3.22Å; S1027-N1029 PolarHBondContact O-N 3.41Å; N1029-D1031 VanDerWaalsContact C-N 3.31Å; N1029-D1031 PolarHBondContact O-N 3.5Å; N1029-C1032 HydrophobicContact CB-CB 4.2Å; N1029-C1032 WeakPolarHBondContact O-CB 3.47Å; N1029-C1032 PolarHBondContact O-N 2.77Å; N1029-C1032 VanDerWaalsContact O-N 3.14Å; N1029-A1033 PolarHBondContact O-N 2.8Å | ||
| 1030 | Y | 91.9 | Very high | 92 | Very high | 128 Ų | 128 | 53.7 Ų | 53.7 | 50% | 0.502 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -33.9 | -168.2 | -58.5 | -65.3 | 0 | 0 | 0 | 113.9 | K1028 C1032 A1033 D1034 | K1028-Y1030 VanDerWaalsContact C-N 3.25Å; K1028-Y1030 HydrophobicContact CB-CE2 3.93Å; K1028-Y1030 VanDerWaalsContact O-CD2 3.23Å; K1028-Y1030 WeakPolarHBondContact O-CD2 3.01Å; K1028-Y1030 WeakPolarHBondContact O-CE2 3.44Å; K1028-Y1030 PolarHBondContact O-N 3.29Å; Y1030-C1032 PolarHBondContact O-N 2.65Å; Y1030-A1033 WeakPolarHBondContact O-CB 3.12Å; Y1030-A1033 PolarHBondContact O-N 2.65Å; Y1030-A1033 VanDerWaalsContact O-N 3.15Å; Y1030-D1034 PolarHBondContact O-N 2.85Å |
| 1031 | D | 91.3 | Very high | 91.7 | Very high | 134 Ų | 134 | 53.9 Ų | 53.9 | 72% | 0.717 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.2 | -39.7 | 177.3 | -50.3 | -63.2 | 0 | 0 | 0 | 111.7 | N1029 F1035 | N1029-D1031 VanDerWaalsContact C-N 3.31Å; N1029-D1031 PolarHBondContact O-N 3.5Å; D1031-F1035 VanDerWaalsContact O-CB 3.26Å; D1031-F1035 WeakPolarHBondContact O-CB 3.5Å; D1031-F1035 PolarHBondContact O-N 3.2Å |
| 1032 | C | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.5 | -35.1 | 172.5 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | G995 L1000 A1024 N1029 Y1030 L1036 | G995-C1032 PolarHBondContact O-SG 2.85Å; L1000-C1032 HydrophobicContact CD1-CB 3.73Å; A1024-C1032 HydrophobicContact CB-CB 4.23Å; N1029-C1032 HydrophobicContact CB-CB 4.2Å; N1029-C1032 WeakPolarHBondContact O-CB 3.47Å; N1029-C1032 PolarHBondContact O-N 2.77Å; N1029-C1032 VanDerWaalsContact O-N 3.14Å; Y1030-C1032 PolarHBondContact O-N 2.65Å; C1032-L1036 WeakPolarHBondContact O-CB 3.48Å; C1032-L1036 WeakPolarHBondContact O-CD1 3.26Å; C1032-L1036 VanDerWaalsContact O-CG 3.23Å; C1032-L1036 WeakPolarHBondContact O-CG 3.3Å; C1032-L1036 PolarHBondContact O-N 3.49Å |
| 1033 | A | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1021 A1024 N1029 Y1030 L1036 L1037 | F1021-A1033 HydrophobicContact CD2-CB 3.91Å; F1021-A1033 WeakPolarHBondContact CD2-O 3.37Å; F1021-A1033 HydrophobicContact CE2-CB 3.78Å; A1024-A1033 HydrophobicContact CB-CB 3.87Å; N1029-A1033 PolarHBondContact O-N 2.8Å; Y1030-A1033 WeakPolarHBondContact O-CB 3.12Å; Y1030-A1033 PolarHBondContact O-N 2.65Å; Y1030-A1033 VanDerWaalsContact O-N 3.15Å; A1033-L1036 PolarHBondContact O-N 3.15Å; A1033-L1037 WeakPolarHBondContact O-CG 3.33Å; A1033-L1037 PolarHBondContact O-N 2.82Å; A1033-L1037 VanDerWaalsContact O-N 3.1Å |
| 1034 | D | 91.8 | Very high | 90.7 | Very high | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 175.7 | -168.4 | 63.6 | 0 | 0 | 0 | 111.9 | Y1030 L1036 L1037 R1038 | Y1030-D1034 PolarHBondContact O-N 2.85Å; D1034-L1036 VanDerWaalsContact C-N 3.29Å; D1034-L1036 PolarHBondContact O-N 3.25Å; D1034-L1037 WeakPolarHBondContact O-CB 3.35Å; D1034-L1037 PolarHBondContact O-N 3.49Å; D1034-L1037 VanDerWaalsContact O-N 3.08Å; D1034-R1038 WeakPolarHBondContact O-CG 3.1Å; D1034-R1038 PolarHBondContact O-N 2.94Å; D1034-R1038 IonicContact OD2-CZ 3.47Å; D1034-R1038 IonicContact OD2-NE 2.71Å; D1034-R1038 PolarHBondContact OD2-NE 2.67Å; D1034-R1038 IonicContact OD2-NH2 3.16Å; D1034-R1038 PolarHBondContact OD2-NH2 2.82Å |
| 1035 | F | 93 | Very high | 90 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 2% | 0.022 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.5 | -42.8 | 172.1 | 173.6 | -102.4 | 0 | 0 | 0 | 112.4 | E858 L997 L1000 Q1001 L1004 D1031 R1038 N1039 | E858-F1035 HydrophobicContact CB-CD2 4.46Å; E858-F1035 HydrophobicContact CB-CE2 3.97Å; E858-F1035 HydrophobicContact CG-CD2 3.63Å; E858-F1035 HydrophobicContact CG-CE2 3.62Å; L997-F1035 HydrophobicContact CD1-CB 3.76Å; L997-F1035 HydrophobicContact CD1-CD1 3.57Å; L997-F1035 HydrophobicContact CD1-CD2 3.88Å; L997-F1035 HydrophobicContact CD1-CE1 4.09Å; L997-F1035 HydrophobicContact CD1-CE2 4.35Å; L997-F1035 HydrophobicContact CD1-CG 3.44Å; L997-F1035 VanDerWaalsContact CD1-CG 3.44Å; L997-F1035 HydrophobicContact CD1-CZ 4.45Å; L1000-F1035 HydrophobicContact CB-CD1 4.25Å; L1000-F1035 HydrophobicContact CB-CE1 3.89Å; L1000-F1035 HydrophobicContact CD1-CD1 4.46Å; Q1001-F1035 HydrophobicContact CB-CZ 4.02Å; Q1001-F1035 HydrophobicContact CG-CZ 4.46Å; L1004-F1035 HydrophobicContact CD1-CE1 3.53Å; L1004-F1035 HydrophobicContact CD1-CZ 3.72Å; D1031-F1035 VanDerWaalsContact O-CB 3.26Å; D1031-F1035 WeakPolarHBondContact O-CB 3.5Å; D1031-F1035 PolarHBondContact O-N 3.2Å; F1035-R1038 PolarHBondContact O-N 3.44Å; F1035-N1039 WeakPolarHBondContact CD2-ND2 3.11Å; F1035-N1039 WeakPolarHBondContact CE2-ND2 3.17Å; F1035-N1039 VanDerWaalsContact CZ-ND2 3.34Å; F1035-N1039 WeakPolarHBondContact CZ-ND2 3.5Å; F1035-N1039 PolarHBondContact O-N 3.32Å; F1035-N1039 VanDerWaalsContact O-N 3.07Å; F1035-N1039 PolarHBondContact O-ND2 2.91Å |
| 1036 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.9 | -78.2 | 165.2 | 0 | 0 | 0 | 111.8 | I988 A992 L1000 P1010 A1020 A1024 C1032 A1033 D1034 N1039 S1040 C1041 | I988-L1036 HydrophobicContact CD1-CD2 4.27Å; A992-L1036 HydrophobicContact CB-CD1 4.1Å; L1000-L1036 HydrophobicContact CD1-CD1 4.31Å; L1000-L1036 HydrophobicContact CD1-CG 4.37Å; L1000-L1036 HydrophobicContact CD2-CD2 4.38Å; P1010-L1036 HydrophobicContact CB-CD2 4.48Å; A1020-L1036 HydrophobicContact CB-CD1 3.68Å; A1020-L1036 HydrophobicContact CB-CD2 3.92Å; A1020-L1036 HydrophobicContact CB-CG 4.46Å; A1024-L1036 HydrophobicContact CB-CD1 4.17Å; C1032-L1036 WeakPolarHBondContact O-CB 3.48Å; C1032-L1036 WeakPolarHBondContact O-CD1 3.26Å; C1032-L1036 VanDerWaalsContact O-CG 3.23Å; C1032-L1036 WeakPolarHBondContact O-CG 3.3Å; C1032-L1036 PolarHBondContact O-N 3.49Å; A1033-L1036 PolarHBondContact O-N 3.15Å; D1034-L1036 VanDerWaalsContact C-N 3.29Å; D1034-L1036 PolarHBondContact O-N 3.25Å; L1036-N1039 CarbonylContact O-C 3.54Å; L1036-N1039 PolarHBondContact O-N 3.15Å; L1036-S1040 PolarHBondContact O-N 3.46Å; L1036-C1041 VanDerWaalsContact C-CB 3.46Å; L1036-C1041 HydrophobicContact CB-CB 3.8Å; L1036-C1041 HydrophobicContact CD2-CB 4.5Å; L1036-C1041 WeakPolarHBondContact O-CB 3.29Å; L1036-C1041 PolarHBondContact O-N 3.23Å |
| 1037 | L | 91.7 | Very high | 88.3 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.6 | -66.1 | -177.9 | 0 | 0 | 0 | 112.3 | F1021 A1033 D1034 N1039 S1040 C1041 K1043 | F1021-L1037 HydrophobicContact CD2-CD1 4.2Å; F1021-L1037 HydrophobicContact CD2-CD2 3.62Å; F1021-L1037 HydrophobicContact CD2-CG 3.68Å; F1021-L1037 HydrophobicContact CE2-CD1 3.66Å; F1021-L1037 HydrophobicContact CE2-CD2 3.85Å; F1021-L1037 HydrophobicContact CE2-CG 3.68Å; F1021-L1037 HydrophobicContact CG-CD2 4.19Å; F1021-L1037 HydrophobicContact CZ-CD1 4.39Å; A1033-L1037 WeakPolarHBondContact O-CG 3.33Å; A1033-L1037 PolarHBondContact O-N 2.82Å; A1033-L1037 VanDerWaalsContact O-N 3.1Å; D1034-L1037 WeakPolarHBondContact O-CB 3.35Å; D1034-L1037 PolarHBondContact O-N 3.49Å; D1034-L1037 VanDerWaalsContact O-N 3.08Å; L1037-N1039 PolarHBondContact O-N 2.79Å; L1037-S1040 PolarHBondContact O-N 3.3Å; L1037-C1041 WeakPolarHBondContact CD2-O 3.04Å; L1037-K1043 HydrophobicContact CD1-CD 4.14Å; L1037-K1043 HydrophobicContact CD2-CB 3.66Å; L1037-K1043 HydrophobicContact CD2-CD 4.43Å; L1037-K1043 HydrophobicContact CD2-CG 4.03Å |
| 1038 | R | 90.8 | Very high | 86.6 | Confident | 160 Ų | 160 | 75.1 Ų | 75.1 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59 | -35 | 175 | -65.1 | 173.9 | -162.6 | -176.1 | 1.9 | 112 | E858 D1034 F1035 S1040 | E858-R1038 IonicContact OE1-NH1 2.64Å; E858-R1038 PolarHBondContact OE1-NH1 3.04Å; D1034-R1038 WeakPolarHBondContact O-CG 3.1Å; D1034-R1038 PolarHBondContact O-N 2.94Å; D1034-R1038 IonicContact OD2-CZ 3.47Å; D1034-R1038 IonicContact OD2-NE 2.71Å; D1034-R1038 PolarHBondContact OD2-NE 2.67Å; D1034-R1038 IonicContact OD2-NH2 3.16Å; D1034-R1038 PolarHBondContact OD2-NH2 2.82Å; F1035-R1038 PolarHBondContact O-N 3.44Å; R1038-S1040 PolarHBondContact O-N 2.88Å |
| 1039 | N | 89.5 | Confident | 84.7 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 23.7 | 176 | -71.4 | -87.2 | 0 | 0 | 0 | 113.3 | L1004 P1010 F1035 L1036 L1037 C1041 | L1004-N1039 HydrophobicContact CD1-CB 3.83Å; P1010-N1039 VanDerWaalsContact CG-O 3.27Å; P1010-N1039 WeakPolarHBondContact CG-O 3.31Å; F1035-N1039 WeakPolarHBondContact CD2-ND2 3.11Å; F1035-N1039 WeakPolarHBondContact CE2-ND2 3.17Å; F1035-N1039 VanDerWaalsContact CZ-ND2 3.34Å; F1035-N1039 WeakPolarHBondContact CZ-ND2 3.5Å; F1035-N1039 PolarHBondContact O-N 3.32Å; F1035-N1039 VanDerWaalsContact O-N 3.07Å; F1035-N1039 PolarHBondContact O-ND2 2.91Å; L1036-N1039 CarbonylContact O-C 3.54Å; L1036-N1039 PolarHBondContact O-N 3.15Å; L1037-N1039 PolarHBondContact O-N 2.79Å; N1039-C1041 VanDerWaalsContact C-N 3.34Å; N1039-C1041 PolarHBondContact O-N 2.73Å |
| 1040 | S | 88.3 | Confident | 82.3 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 73% | 0.727 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 20.8 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 116.3 | L1036 L1037 R1038 P1042 | L1036-S1040 PolarHBondContact O-N 3.46Å; L1037-S1040 PolarHBondContact O-N 3.3Å; R1038-S1040 PolarHBondContact O-N 2.88Å; S1040-P1042 WeakPolarHBondContact O-CD 3.32Å |
| 1041 | C | 86.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.034 | 41% | 0.41 | C | S | . | . | trans | -61.7 | 127.8 | 166.5 | -170 | 0 | 0 | 0 | 0 | 110.1 | P1010 L1036 L1037 N1039 K1043 | P1010-C1041 HydrophobicContact CB-CB 3.92Å; P1010-C1041 PolarHBondContact O-SG 2.78Å; L1036-C1041 VanDerWaalsContact C-CB 3.46Å; L1036-C1041 HydrophobicContact CB-CB 3.8Å; L1036-C1041 HydrophobicContact CD2-CB 4.5Å; L1036-C1041 WeakPolarHBondContact O-CB 3.29Å; L1036-C1041 PolarHBondContact O-N 3.23Å; L1037-C1041 WeakPolarHBondContact CD2-O 3.04Å; N1039-C1041 VanDerWaalsContact C-N 3.34Å; N1039-C1041 PolarHBondContact O-N 2.73Å; C1041-K1043 PolarHBondContact O-N 3.04Å | ||
| 1042 | P | 87.7 | Confident | 77.8 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | trans | -60.7 | 128.5 | 177.2 | -24.6 | 34.5 | 0 | 0 | 0 | 111.8 | A1011 N1019 S1040 Q1044 | A1011-P1042 HydrophobicContact CB-CG 4.33Å; N1019-P1042 PolarHBondContact ND2-O 3.46Å; S1040-P1042 WeakPolarHBondContact O-CD 3.32Å; P1042-Q1044 PolarHBondContact O-N 3.41Å | ||
| 1043 | K | 87.2 | Confident | 75.3 | Confident | 156 Ų | 156 | 81.9 Ų | 81.9 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | trans | -71.1 | 99 | 179.1 | -170 | 170.1 | -176.7 | 170.3 | 0 | 111.2 | F1021 L1037 C1041 | F1021-K1043 HydrophobicContact CD1-CG 4.46Å; F1021-K1043 HydrophobicContact CE1-CG 3.92Å; F1021-K1043 HydrophobicContact CZ-CD 4.5Å; F1021-K1043 HydrophobicContact CZ-CG 4Å; L1037-K1043 HydrophobicContact CD1-CD 4.14Å; L1037-K1043 HydrophobicContact CD2-CB 3.66Å; L1037-K1043 HydrophobicContact CD2-CD 4.43Å; L1037-K1043 HydrophobicContact CD2-CG 4.03Å; C1041-K1043 PolarHBondContact O-N 3.04Å | ||
| 1044 | Q | 84.2 | Confident | 72.5 | Confident | 53 Ų | 53 | 89 Ų | 89 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | trans | -76.6 | 142.2 | 176.8 | -170.2 | 160.5 | 10.2 | 0 | 0 | 111.6 | G1017 N1019 F1021 Y1022 P1042 V1046 | G1017-Q1044 PolarHBondContact O-NE2 2.86Å; G1017-Q1044 PolarHBondContact O-OE1 3.42Å; N1019-Q1044 PolarHBondContact OD1-OE1 3.26Å; F1021-Q1044 HydrophobicContact CD1-CB 4.44Å; F1021-Q1044 WeakPolarHBondContact CE1-O 3.48Å; Y1022-Q1044 HydrophobicContact CD2-CG 4.44Å; P1042-Q1044 PolarHBondContact O-N 3.41Å; Q1044-V1046 PolarHBondContact O-N 3.49Å | ||
| 1045 | L | 78.7 | Confident | 69.9 | Low | 166 Ų | 166 | 90.6 Ų | 90.6 | 87% | 0.869 | 50% | 0.498 | S | S | * | . | trans | -73.1 | 113.7 | 171.2 | -70.9 | 177.3 | 0 | 0 | 0 | 109.6 | ||||
| 1046 | V | 76.4 | Confident | 67.1 | Low | 31 Ų | 31 | 96.3 Ų | 96.3 | 19% | 0.188 | 54% | 0.536 | C | S | . | . | trans | -93.3 | 129.3 | 176.2 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | F1021 Y1022 H1025 C1026 Q1044 | F1021-V1046 HydrophobicContact CE1-CG2 4.33Å; Y1022-V1046 HydrophobicContact CD2-CG1 4.43Å; Y1022-V1046 HydrophobicContact CD2-CG2 3.96Å; Y1022-V1046 HydrophobicContact CE2-CG1 4.23Å; H1025-V1046 HydrophobicContact CB-CG2 4.07Å; C1026-V1046 VanDerWaalsContact SG-CG1 3.59Å; Q1044-V1046 PolarHBondContact O-N 3.49Å | ||
| 1047 | P | 70.2 | Confident | 64.4 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 53% | 0.532 | 56% | 0.563 | S | S | . | * | trans | -57.3 | 143.6 | 173.7 | -24.5 | 34.4 | 0 | 0 | 0 | 111.6 | I1049 | P1047-I1049 PolarHBondContact O-N 2.89Š| ||
| 1048 | P | 55.8 | Low | 61.7 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | trans | -61.9 | 114.9 | 177.5 | 25.6 | -33.4 | 0 | 0 | 0 | 109.8 | P1050 | P1048-P1050 WeakPolarHBondContact O-CD 3.46Š| ||
| 1049 | I | 53.5 | Low | 59 | Low | 82 Ų | 82 | 108.4 Ų | 108.4 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 120.7 | -178.5 | -55.8 | 174 | 0 | 0 | 0 | 108.2 | P1047 | P1047-I1049 PolarHBondContact O-N 2.89Š|
| 1050 | P | 42.2 | Very low | 56.1 | Low | 83 Ų | 83 | 111.9 Ų | 111.9 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 129.1 | 177.9 | 25.9 | -33.1 | 0 | 0 | 0 | 109.7 | P1048 | P1048-P1050 WeakPolarHBondContact O-CD 3.46Š|
| 1051 | P | 45.6 | Very low | 53.5 | Low | 122 Ų | 122 | 112 Ų | 112 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 139.8 | 171.7 | 27 | -32.9 | 0 | 0 | 0 | 109.6 | ||
| 1052 | N | 41.8 | Very low | 50.9 | Low | 166 Ų | 166 | 120.2 Ų | 120.2 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.8 | 47.1 | -178.2 | -61.7 | -15.2 | 0 | 0 | 0 | 117.6 | ||
| 1053 | I | 41.4 | Very low | 48.2 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | trans | -127.3 | 119.2 | 136.4 | -55.2 | -179.5 | 0 | 0 | 0 | 108 | ||||
| 1054 | M | 33.1 | Very low | 45.6 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | trans | -75.7 | 126.3 | 167.6 | -75.8 | -170.4 | 69.7 | 0 | 0 | 108.9 | ||||
| 1055 | P | 36.7 | Very low | 43 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 66% | 0.662 | 72% | 0.716 | S | S | * | * | trans | -62.2 | 149.2 | 156.3 | 30.5 | -33.3 | 0 | 0 | 0 | 108 | T1057 | P1055-T1057 PolarHBondContact O-N 3.45Š| ||
| 1056 | P | 35.2 | Very low | 40.9 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | trans | -62.1 | 106.7 | 175.8 | 26.1 | -33.2 | 0 | 0 | 0 | 108.9 | I1058 | P1056-I1058 PolarHBondContact O-N 3.16Š| ||
| 1057 | T | 36.4 | Very low | 38.8 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 57% | 0.571 | 74% | 0.738 | S | S | * | * | trans | -53.4 | 129.2 | 166.1 | -52.2 | 0 | 0 | 0 | 0 | 107.3 | P1055 R1059 | P1055-T1057 PolarHBondContact O-N 3.45Å; T1057-R1059 HydrophobicContact CG2-CG 4.42Å; T1057-R1059 PolarHBondContact O-N 3.44Å | ||
| 1058 | I | 35.1 | Very low | 36.9 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -71.4 | 75.2 | 172.1 | -55.4 | 178 | 0 | 0 | 0 | 107.4 | P1056 | P1056-I1058 PolarHBondContact O-N 3.16Š| ||
| 1059 | R | 33.9 | Very low | 35.6 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -68.1 | 132.7 | 165.6 | -82.5 | -172.2 | 168.5 | -167.9 | -3.3 | 107.2 | T1057 S1061 | T1057-R1059 HydrophobicContact CG2-CG 4.42Å; T1057-R1059 PolarHBondContact O-N 3.44Å; R1059-S1061 PolarHBondContact O-N 3.2Å | ||
| 1060 | S | 28.8 | Very low | 34.5 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -47.6 | 110 | 166.9 | -43.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1061 | S | 32.3 | Very low | 33.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -147.3 | 112.3 | 179.3 | -73.9 | 0 | 0 | 0 | 0 | 107.8 | R1059 | R1059-S1061 PolarHBondContact O-N 3.2Š| ||
| 1062 | Q | 31.9 | Very low | 33.2 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -69.5 | 154.7 | 177.5 | -64.2 | 161.6 | -23.4 | 0 | 0 | 109.6 | ||||
| 1063 | N | 31.1 | Very low | 32.7 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 79 | 128.9 | 162.4 | -55.8 | -41 | 0 | 0 | 0 | 119.2 | ||||
| 1064 | V | 33.1 | Very low | 32 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 92.5 | 104.1 | 145 | 172.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1065 | M | 28.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | 74.1 | 162.8 | 140.7 | -77.2 | 179.6 | 71.4 | 0 | 0 | 120.6 | ||||
| 1066 | P | 34.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -118.6 | 163.1 | 1.9 | 28.6 | -9.2 | 0 | 0 | 0 | 116.3 | ||||
| 1067 | Q | 32.1 | Very low | 31.2 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -92.9 | 147.4 | 167.7 | -78.8 | -176.2 | -22 | 0 | 0 | 112.2 | ||||
| 1068 | Q | 31.3 | Very low | 30.8 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 52.9 | 113.2 | 148.8 | -68.4 | -175.4 | -31.7 | 0 | 0 | 121.3 | ||||
| 1069 | I | 28.3 | Very low | 30.6 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -125.3 | 133.8 | 132.5 | -52.6 | 178.3 | 0 | 0 | 0 | 103 | ||||
| 1070 | V | 30.4 | Very low | 30.3 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | cis | -142.4 | 133.8 | 49.4 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1071 | Q | 30.8 | Very low | 30.4 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -134.4 | 167.5 | 138.6 | -79.5 | -157.2 | -8 | 0 | 0 | 109.1 | ||||
| 1072 | S | 29.2 | Very low | 30.3 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -115.7 | 147.4 | -147.4 | 55.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1073 | H | 31.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | 69.7 | 138.6 | 164.1 | -60.7 | -72.2 | 0 | 0 | 0 | 120 | ||||
| 1074 | S | 28.6 | Very low | 30.1 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 69 | 138.4 | 155.6 | 23 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1075 | I | 28.4 | Very low | 30 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | cis | -160.5 | 151 | -10.5 | -133.1 | 166 | 0 | 0 | 0 | 110.8 | ||||
| 1076 | I | 29.6 | Very low | 30.1 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | 68.2 | 114.6 | 161.1 | -68.6 | 171.2 | 0 | 0 | 0 | 120.2 | ||||
| 1077 | H | 29.1 | Very low | 30 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | trans | 33.5 | 135.9 | 141 | -61.9 | -103.1 | 0 | 0 | 0 | 123.1 | ||||
| 1078 | G | 28.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 173 | 64.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1079 | S | 29.9 | Very low | 30 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -37.6 | 153.6 | 158.5 | 44.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1080 | S | 28.8 | Very low | 30.2 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | cis | 166.9 | -172.7 | -8.7 | 51.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1081 | I | 30.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | 76.6 | 152 | 165.4 | -55.6 | 157.9 | 0 | 0 | 0 | 115.2 | ||||
| 1082 | S | 29.5 | Very low | 30.2 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | -169.8 | 175.1 | -61.2 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1083 | T | 29.4 | Very low | 30.1 | Very low | 140 Ų | 140 | 122.9 Ų | 122.9 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 139.9 | 149.3 | 44.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1084 | G | 30.8 | Very low | 30.1 | Very low | 64 Ų | 64 | 121 Ų | 121 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 135.5 | 95.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1085 | L | 30.8 | Very low | 30 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 90% | 0.901 | 75% | 0.749 | S | S | * | * | 65.3 | 131.8 | 75.9 | -62.3 | 171.2 | 0 | 0 | 0 | 113.5 | |||||
| 1086 | S | 30.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | cis | -169.1 | 159 | -6.9 | 50 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1087 | S | 32 | Very low | 30.3 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | trans | 57.2 | 123.9 | 145.6 | 61 | 0 | 0 | 0 | 0 | 122 | ||||
| 1088 | G | 34.1 | Very low | 30.2 | Very low | 80 Ų | 80 | 117.6 Ų | 117.6 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -176.4 | 92.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1089 | V | 30.7 | Very low | 30.2 | Very low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -117.7 | 138 | -165.1 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1090 | A | 32.6 | Very low | 30.2 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -156.7 | 119.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1091 | D | 27.9 | Very low | 30.1 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | -78.4 | 175.2 | 178.1 | -55.1 | -94.4 | 0 | 0 | 0 | 112.4 | ||||
| 1092 | I | 32.2 | Very low | 29.9 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 86% | 0.862 | 76% | 0.756 | S | S | * | * | -165.2 | 160.2 | 88.1 | -92.5 | 165.1 | 0 | 0 | 0 | 112.5 | |||||
| 1093 | N | 27.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | trans | -126.1 | 157.5 | -166.8 | -84 | -77.7 | 0 | 0 | 0 | 111.3 | ||||
| 1094 | I | 30.2 | Very low | 29.8 | Very low | 130 Ų | 130 | 124 Ų | 124 | 67% | 0.667 | 76% | 0.76 | S | S | * | * | cis | -175.3 | 173.7 | -7.7 | -168 | 173.5 | 0 | 0 | 0 | 109.4 | ||||
| 1095 | N | 27.5 | Very low | 29.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | trans | 89.4 | 125.2 | 152.9 | -75.9 | -18.5 | 0 | 0 | 0 | 123.2 | ||||
| 1096 | N | 30 | Very low | 29.6 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 62.6 | 113.4 | 127.4 | -58.1 | -8.7 | 0 | 0 | 0 | 124.3 | |||||
| 1097 | S | 32.5 | Very low | 29.6 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | -170 | 130.6 | 121.9 | -73.6 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 1098 | I | 28.4 | Very low | 29.4 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | 54.5 | 77.8 | 53 | -46 | -177.4 | 0 | 0 | 0 | 113.2 | |||||
| 1099 | N | 29.1 | Very low | 29.3 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | -173.8 | 158.8 | 118 | -104.7 | -30.6 | 0 | 0 | 0 | 114.4 | |||||
| 1100 | S | 28.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -2.1 | 134.6 | 153.8 | -46 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1101 | G | 28 | Very low | 29.5 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | 158.5 | 105.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1102 | L | 26.1 | Very low | 29.7 | Very low | 170 Ų | 170 | 137 Ų | 137 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -15.8 | 157.9 | 139.8 | -150 | 76.3 | 0 | 0 | 0 | 118.3 | ||||
| 1103 | V | 28.6 | Very low | 29.7 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | 101.9 | 116.6 | 159.6 | -172.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1104 | Q | 28 | Very low | 30.1 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 15 | 144.2 | 154.1 | -61.9 | -176.7 | -18.9 | 0 | 0 | 122.8 | ||||
| 1105 | P | 27.3 | Very low | 30.1 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | trans | -76.3 | 150.6 | 161.4 | 35.1 | -34.2 | 0 | 0 | 0 | 111.5 | ||||
| 1106 | H | 29.6 | Very low | 30.3 | Very low | 175 Ų | 175 | 138 Ų | 138 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 174.3 | 135.5 | 132.7 | -94.3 | -60.8 | 0 | 0 | 0 | 114.2 | ||||
| 1107 | H | 30.4 | Very low | 30.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | 87.8 | 146.8 | 139.6 | -113.3 | -86.7 | 0 | 0 | 0 | 124.7 | ||||
| 1108 | F | 27.8 | Very low | 30.5 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 66.1 | 145.9 | 167.2 | -65.2 | -77.1 | 0 | 0 | 0 | 119.2 | ||||
| 1109 | S | 32 | Very low | 30.6 | Very low | 97 Ų | 97 | 133.6 Ų | 133.6 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | cis | -178.8 | 173.5 | -30.5 | -109.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1110 | H | 34.4 | Very low | 30.7 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | 126.9 | 147 | 127.1 | -145.9 | -70.4 | 0 | 0 | 0 | 117.4 | |||||
| 1111 | L | 32.4 | Very low | 30.9 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | 72.6 | 144 | 176.4 | -67 | 104 | 0 | 0 | 0 | 118 | ||||
| 1112 | Q | 32.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | cis | -168.9 | 155.1 | -17.7 | 165.4 | 160.6 | 68.7 | 0 | 0 | 111.9 | ||||
| 1113 | Q | 33.5 | Very low | 31.4 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 91.3 | 125.3 | 157.5 | -87.1 | 167.2 | 18.3 | 0 | 0 | 123.4 | ||||
| 1114 | H | 34.5 | Very low | 31.6 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 65% | 0.648 | 73% | 0.728 | S | S | * | * | trans | 56.4 | 122.1 | 148.6 | -64.8 | -65.4 | 0 | 0 | 0 | 125 | ||||
| 1115 | Q | 30.9 | Very low | 31.9 | Very low | 165 Ų | 165 | 131.1 Ų | 131.1 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | 50.9 | 146.2 | 122.3 | -63.2 | 167.7 | 7.7 | 0 | 0 | 120 | |||||
| 1116 | S | 32.9 | Very low | 32.3 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | cis | 177.6 | 159.3 | -2.9 | 47.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1117 | S | 31.9 | Very low | 32.5 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | cis | -177.3 | -173.5 | -9.5 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1118 | A | 34.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | trans | 75.7 | 145.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1119 | S | 31.2 | Very low | 32.8 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | cis | -173 | 133.5 | -12.5 | 46.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1120 | V | 30.3 | Very low | 32.7 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | 63.8 | 149.4 | 145 | -173.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1121 | V | 32.2 | Very low | 32.6 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | cis | -128 | 140.6 | 23.8 | -144.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1122 | S | 32.1 | Very low | 32.6 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | 59.6 | 140.9 | 61 | -89.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1123 | S | 33.1 | Very low | 32.5 | Very low | 79 Ų | 79 | 125 Ų | 125 | 55% | 0.552 | 75% | 0.747 | S | S | * | * | cis | -163.5 | 148.6 | 5.2 | -110.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1124 | E | 32.6 | Very low | 32.6 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | 59 | 164.4 | 135.9 | -62.8 | 161.9 | 117.6 | 0 | 0 | 119.9 | ||||
| 1125 | V | 35.2 | Very low | 32.4 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | cis | -149.9 | 137.4 | 33.1 | 173.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1126 | G | 34 | Very low | 32.5 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | 65.5 | 170.3 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1127 | T | 35.1 | Very low | 32.6 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | cis | -179.9 | 151.4 | -12.7 | 20.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 1128 | H | 31.7 | Very low | 32.8 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | cis | -170.5 | 178.3 | -15.3 | -165.5 | -114.5 | 0 | 0 | 0 | 108.9 | ||||
| 1129 | L | 33.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 70.6 | 163.7 | 168.7 | -54.3 | 169.9 | 0 | 0 | 0 | 118 | ||||
| 1130 | S | 28.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | cis | -179.4 | 131.3 | -49.8 | -96.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1131 | G | 32.4 | Very low | 32.9 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | 166.4 | 94.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1132 | Q | 32.7 | Very low | 33 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | 16 | 152.9 | 126.8 | -62 | -176.7 | -4.2 | 0 | 0 | 120.9 | |||||
| 1133 | L | 30.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | cis | -175.5 | -179.3 | -5.1 | -96.5 | 165.7 | 0 | 0 | 0 | 106 | ||||
| 1134 | P | 34.7 | Very low | 32.8 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -129.3 | -177.9 | -44.9 | 39.2 | -23 | 0 | 0 | 0 | 114.3 | ||||
| 1135 | S | 31.2 | Very low | 32.7 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 169.4 | 178.7 | 56.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1136 | Y | 32.7 | Very low | 32.4 | Very low | 236 Ų | 236 | 126.9 Ų | 126.9 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -133.1 | 142.2 | 140.3 | -97.3 | -85.9 | 0 | 0 | 0 | 112.3 | ||||
| 1137 | H | 35.1 | Very low | 32.2 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | trans | -120.2 | -157.5 | 178 | -116.5 | -49 | 0 | 0 | 0 | 107.9 | ||||
| 1138 | P | 36.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | -117.8 | 172.5 | 2.2 | 7.9 | 20.8 | 0 | 0 | 0 | 113.5 | ||||
| 1139 | M | 29.7 | Very low | 32 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | cis | 91.1 | 122.7 | 43.4 | -64.4 | -89.3 | -172.6 | 0 | 0 | 116.7 | ||||
| 1140 | T | 37.2 | Very low | 31.9 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | 168.7 | 129 | 136 | 28.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1141 | T | 30.7 | Very low | 32 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | cis | 84.2 | 112.8 | 21.6 | 76 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1142 | G | 33.8 | Very low | 31.8 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | trans | 175.2 | 116.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1143 | S | 28.1 | Very low | 31.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -142.7 | 129.3 | 178.4 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1144 | V | 33.4 | Very low | 31.8 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -141.2 | 153.4 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1145 | T | 30.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -108.3 | 169.4 | -164.4 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1146 | S | 29.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | 77 | 129.9 | 134.6 | 60.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1147 | N | 28.2 | Very low | 31.5 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 100.4 | 137.1 | 130.6 | -82 | -17.8 | 0 | 0 | 0 | 122 | ||||
| 1148 | Q | 34.6 | Very low | 31.3 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 69.7 | 144.4 | 153.4 | -69.4 | 170.5 | 17.5 | 0 | 0 | 117.5 | ||||
| 1149 | Q | 28.4 | Very low | 31.3 | Very low | 152 Ų | 152 | 129 Ų | 129 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | cis | -165.5 | 171.8 | -20.3 | -129.9 | 171.4 | -33.5 | 0 | 0 | 108.7 | ||||
| 1150 | L | 31.4 | Very low | 31.2 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 68.8 | 153.3 | 168.2 | -58.2 | 130.9 | 0 | 0 | 0 | 117.2 | ||||
| 1151 | S | 30.3 | Very low | 30.9 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 58% | 0.58 | 78% | 0.775 | S | S | * | * | cis | -171.9 | 127.8 | -30.1 | 53 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1152 | Q | 28.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 64.4 | 162.9 | 158 | -54.3 | 170.5 | 3.7 | 0 | 0 | 114.6 | ||||
| 1153 | V | 32.6 | Very low | 30.7 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | cis | -141.1 | 133.8 | 22.8 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1154 | V | 30.6 | Very low | 30.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | 7.7 | 137 | 144.5 | -169.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1155 | G | 30.5 | Very low | 30.7 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | 105.5 | 111.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1156 | S | 30.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 79 | 111.9 | 57.7 | 74.9 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1157 | N | 31.7 | Very low | 30.7 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | 175.6 | 157.9 | 121.4 | -90.1 | -34.4 | 0 | 0 | 0 | 114.6 | |||||
| 1158 | H | 32 | Very low | 30.8 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | -68.7 | 172.3 | 166.7 | -101.6 | -89.3 | 0 | 0 | 0 | 112.1 | ||||
| 1159 | P | 36.5 | Very low | 30.6 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -130 | 127 | 111.9 | 35.2 | -28.9 | 0 | 0 | 0 | 114.3 | |||||
| 1160 | L | 25.8 | Very low | 30.8 | Very low | 149 Ų | 149 | 129 Ų | 129 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | -91.5 | 149.4 | 139.7 | -76.4 | 163.9 | 0 | 0 | 0 | 107 | ||||
| 1161 | V | 31.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | 173.7 | 145.1 | 138.5 | 147.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1162 | S | 26.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -81.8 | 149.6 | -171.7 | 53 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1163 | A | 33.9 | Very low | 30.9 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 126.8 | 131.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1164 | S | 29 | Very low | 30.7 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | 81 | 113.1 | 39.1 | 81 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1165 | G | 32.4 | Very low | 30.8 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 94.5 | 153.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1166 | N | 31.5 | Very low | 30.8 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -165.5 | 145.4 | -24.1 | -139.5 | 5.2 | 0 | 0 | 0 | 109.1 | ||||
| 1167 | M | 28.2 | Very low | 30.8 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | 48.8 | 125.6 | 159.8 | -51.2 | -172.2 | 78 | 0 | 0 | 120.4 | ||||
| 1168 | Y | 30.5 | Very low | 30.9 | Very low | 235 Ų | 235 | 129.3 Ų | 129.3 | 92% | 0.922 | 79% | 0.789 | S | S | * | * | -151.2 | 135.2 | 112.5 | -112.4 | -73.3 | 0 | 0 | 0 | 110.6 | |||||
| 1169 | T | 30.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -121.1 | 134.5 | 179.3 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1170 | G | 32.5 | Very low | 30.7 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 167.7 | 97.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1171 | N | 30.4 | Very low | 31.3 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | cis | 78.6 | 133.6 | 30.6 | -151.6 | 18 | 0 | 0 | 0 | 114.1 | ||||
| 1172 | V | 30.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | 59.8 | 117.2 | 172.4 | -77.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1173 | N | 31.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | 88.7 | 107.9 | 129.3 | -63.4 | -11.4 | 0 | 0 | 0 | 124.3 | |||||
| 1174 | Q | 28.4 | Very low | 31.5 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 43.7 | 105.5 | 119.5 | -57.4 | -177.7 | 17.9 | 0 | 0 | 122 | |||||
| 1175 | A | 32.6 | Very low | 31.8 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -175.2 | 119.9 | 133.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1176 | L | 29.5 | Very low | 32.2 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | 79.6 | 112.4 | 61.6 | -78.7 | 176.1 | 0 | 0 | 0 | 115.8 | |||||
| 1177 | G | 31.1 | Very low | 32.4 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 88.8 | 135.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1178 | A | 34.2 | Very low | 32.9 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | -157 | -179 | -6.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1179 | T | 35.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | cis | -153.6 | -165.9 | 14.4 | -30.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1180 | L | 29.8 | Very low | 33.6 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | -136.9 | 160.4 | 172.5 | -67 | 172 | 0 | 0 | 0 | 110.5 | R1182 | L1180-R1182 HydrophobicContact CB-CB 4.24Š| ||
| 1181 | P | 37.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | -139.1 | 136.5 | 89.4 | 35.9 | -22.1 | 0 | 0 | 0 | 113.1 | |||||
| 1182 | R | 30.9 | Very low | 34.5 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | 79.6 | 90.6 | 35.5 | -160.4 | -174.8 | -163.8 | -149.7 | 6.1 | 115.8 | L1180 | L1180-R1182 HydrophobicContact CB-CB 4.24Š| ||
| 1183 | R | 33.5 | Very low | 34.8 | Very low | 231 Ų | 231 | 137.9 Ų | 137.9 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 172.9 | 139.9 | 149 | -97.9 | 164.4 | -165.1 | -143.1 | 6.1 | 109.1 | ||||
| 1184 | R | 33 | Very low | 35 | Very low | 233 Ų | 233 | 136.6 Ų | 136.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | cis | -166.3 | 138 | -12.8 | -141.8 | -175 | -164.5 | -171.1 | 3.5 | 107.5 | ||||
| 1185 | A | 34.3 | Very low | 35.3 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 63% | 0.628 | 80% | 0.8 | S | S | * | * | trans | -113.5 | 155.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1186 | P | 41.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -76 | 118 | 151.6 | 32.2 | -27.7 | 0 | 0 | 0 | 107.8 | ||||
| 1187 | I | 35.4 | Very low | 36.2 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | 73.2 | 112.9 | 64.9 | -62.1 | 169.2 | 0 | 0 | 0 | 111.4 | |||||
| 1188 | G | 38.9 | Very low | 36.3 | Very low | 57 Ų | 57 | 133 Ų | 133 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | trans | -83.4 | -152.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1189 | P | 40.4 | Very low | 36.3 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | -119.1 | 151.1 | 53.8 | 18.8 | 1.5 | 0 | 0 | 0 | 113.9 | |||||
| 1190 | F | 35.7 | Very low | 36.3 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 80.4 | 125 | 57.2 | -94 | -84.5 | 0 | 0 | 0 | 115.3 | |||||
| 1191 | P | 42.3 | Very low | 36.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -110.4 | 176.2 | -173.2 | 43 | -37.1 | 0 | 0 | 0 | 114.8 | ||||
| 1192 | P | 39.9 | Very low | 36.2 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -121.5 | 169.4 | 130.9 | 37.7 | -30.1 | 0 | 0 | 0 | 111.1 | ||||
| 1193 | G | 36.5 | Very low | 36.4 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | cis | 122.9 | 57.3 | 3.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1194 | A | 34.5 | Very low | 36.2 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | -158.4 | 153.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1195 | A | 35.9 | Very low | 36.5 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -122.2 | 148.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1196 | P | 43 | Very low | 36.3 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 157.7 | 156.3 | 34.8 | -28.8 | 0 | 0 | 0 | 111.4 | ||
| 1197 | P | 37.1 | Very low | 36 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 160.5 | -157.6 | 36.1 | -37.8 | 0 | 0 | 0 | 116 | L1199 | P1197-L1199 PolarHBondContact O-N 3.19Š|
| 1198 | T | 32.8 | Very low | 35.9 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118.1 | 161.5 | -44.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1199 | L | 34.2 | Very low | 35.7 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -140.9 | 140.6 | 164.1 | -80.3 | 179.6 | 0 | 0 | 0 | 111.6 | P1197 | P1197-L1199 PolarHBondContact O-N 3.19Š| ||
| 1200 | Q | 34.7 | Very low | 35.2 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -88.4 | 167.7 | 171.5 | -53.4 | 172.3 | -23.9 | 0 | 0 | 109.5 | F1202 | Q1200-F1202 HydrophobicContact CB-CD2 4.33Å; Q1200-F1202 VanDerWaalsContact OE1-CE2 3.27Å | ||
| 1201 | P | 37.4 | Very low | 35.1 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | -141.8 | 164.8 | 80.9 | 44.2 | -28.8 | 0 | 0 | 0 | 111.9 | |||||
| 1202 | F | 28.4 | Very low | 34.5 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | 56.2 | 147.2 | 48.5 | -76.3 | -77.7 | 0 | 0 | 0 | 114.5 | Q1200 | Q1200-F1202 HydrophobicContact CB-CD2 4.33Å; Q1200-F1202 VanDerWaalsContact OE1-CE2 3.27Å | ||
| 1203 | P | 35.7 | Very low | 34.2 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | -120.1 | -170.9 | -50.9 | 33.4 | -17.7 | 0 | 0 | 0 | 111.9 | |||||
| 1204 | R | 29.6 | Very low | 34 | Very low | 222 Ų | 222 | 132.3 Ų | 132.3 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -62.6 | 148.5 | 164.1 | -59.6 | -179 | -177.8 | -165.8 | 2 | 111.4 | ||||
| 1205 | P | 39.4 | Very low | 33.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | trans | -104.1 | 118.7 | 140 | 1.6 | 18.5 | 0 | 0 | 0 | 109.8 | ||||
| 1206 | N | 30.1 | Very low | 33.5 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -74.1 | 141.3 | 148.6 | -90.9 | -13.8 | 0 | 0 | 0 | 107.1 | ||||
| 1207 | I | 34.1 | Very low | 33.1 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | -171.9 | 117.2 | 125.3 | -99.3 | 156.9 | 0 | 0 | 0 | 110.9 | |||||
| 1208 | Q | 33.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | 45.6 | 134.2 | 145.6 | -65.4 | 166.9 | -56.6 | 0 | 0 | 122.8 | ||||
| 1209 | Q | 34 | Very low | 33.2 | Very low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 74.9 | 139.3 | 138.9 | -72.6 | 166.8 | -11.3 | 0 | 0 | 118.5 | ||||
| 1210 | Q | 30.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | cis | -164.2 | 171.3 | -15.9 | -133.8 | 175.8 | -31.2 | 0 | 0 | 109.5 | ||||
| 1211 | V | 32.9 | Very low | 33 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 49.8 | 93.7 | 154.3 | 178.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1212 | S | 30.6 | Very low | 32.8 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | 83.5 | 168.7 | 60 | 81.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1213 | V | 33.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 82.5 | 74.7 | 173.4 | -160.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1214 | S | 31.3 | Very low | 32.8 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | 27.2 | 152.1 | 121.1 | 65.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1215 | N | 30.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 76.7 | 148.3 | 153 | -63 | -16.6 | 0 | 0 | 0 | 116.9 | ||||
| 1216 | T | 30.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | cis | -159.2 | -173.6 | -8.6 | 17 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1217 | H | 35 | Very low | 32.8 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | trans | 88.1 | 104 | 159.9 | -75.4 | -82 | 0 | 0 | 0 | 121.3 | ||||
| 1218 | R | 31.8 | Very low | 32.9 | Very low | 239 Ų | 239 | 137.7 Ų | 137.7 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -26.7 | 169.6 | 141 | -101.6 | -160.9 | 163.6 | -167.7 | -2.7 | 117.7 | ||||
| 1219 | P | 38.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 142 Ų | 142 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -118.8 | -179.6 | -128 | 44.7 | -36.2 | 0 | 0 | 0 | 114.5 | |||||
| 1220 | T | 34.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -160.5 | 161.6 | 148.2 | -5.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1221 | S | 30.1 | Very low | 33.2 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -50.3 | 138.1 | 168.6 | 160.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1222 | S | 34.5 | Very low | 33.5 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -173.7 | 158.4 | 115.9 | 39.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1223 | V | 29 | Very low | 34.3 | Very low | 122 Ų | 122 | 142 Ų | 142 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -49.3 | 140.8 | 172.7 | 174.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1224 | I | 34.7 | Very low | 34.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -160.6 | 154.5 | 135 | -103.5 | 153.5 | 0 | 0 | 0 | 110.2 | ||||
| 1225 | Q | 30.8 | Very low | 34.6 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -107 | 141.1 | -167.9 | -60.6 | 163.7 | -31.9 | 0 | 0 | 112.9 | ||||
| 1226 | S | 34.5 | Very low | 34.7 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -162.6 | 100 | 150.1 | 43.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1227 | V | 34.2 | Very low | 35 | Very low | 136 Ų | 136 | 145 Ų | 145 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 75.3 | 89.4 | 93.7 | 175.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1228 | T | 36.3 | Very low | 35 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | -161.4 | 162.1 | 125.8 | 11.5 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1229 | R | 33.2 | Very low | 35.2 | Very low | 240 Ų | 240 | 140.8 Ų | 140.8 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -111.7 | 149.7 | -161.6 | -71.1 | -179.3 | 174 | 178.3 | -2 | 114.1 | ||||
| 1230 | P | 34.3 | Very low | 35 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -81.2 | 165.7 | 167 | 36.2 | -35.9 | 0 | 0 | 0 | 111.9 | ||||
| 1231 | I | 36 | Very low | 34.8 | Very low | 167 Ų | 167 | 141 Ų | 141 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -130.4 | 124.7 | 170.6 | -62.5 | 179.8 | 0 | 0 | 0 | 109.7 | ||||
| 1232 | T | 40.3 | Very low | 35 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 64% | 0.638 | 79% | 0.789 | S | S | * | * | trans | -103.9 | 159.7 | 170.7 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | N1234 | T1232-N1234 PolarHBondContact O-N 3.17Š| ||
| 1233 | P | 45.8 | Very low | 34.9 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 107.4 | 161.2 | -14.6 | 30.5 | 0 | 0 | 0 | 110.7 | ||||
| 1234 | N | 36.2 | Very low | 34.9 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -57.1 | 162.8 | 162.2 | -87.5 | -49.6 | 0 | 0 | 0 | 112.3 | T1232 | T1232-N1234 PolarHBondContact O-N 3.17Š| ||
| 1235 | A | 36.5 | Very low | 34.9 | Very low | 67 Ų | 67 | 139.2 Ų | 139.2 | 55% | 0.554 | 79% | 0.788 | S | S | * | * | cis | -172.3 | 159.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1236 | M | 33 | Very low | 34.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | 59.6 | 148.6 | 144.2 | -66.2 | 167.9 | -166.7 | 0 | 0 | 118.5 | ||||
| 1237 | L | 35.6 | Very low | 35.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | cis | -133.8 | -177.6 | 19.1 | -66.7 | 164 | 0 | 0 | 0 | 108 | ||||
| 1238 | R | 34.8 | Very low | 35.5 | Very low | 213 Ų | 213 | 139.2 Ų | 139.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -172.8 | 155.6 | -15.2 | -113.1 | -178.8 | -177.9 | -172 | 1.5 | 105.1 | ||||
| 1239 | T | 35.7 | Very low | 35.3 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | cis | -159.4 | 173.9 | -15.4 | -8.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1240 | S | 35 | Very low | 35.3 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 51.1 | 112.2 | 157.1 | 53.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1241 | L | 30.5 | Very low | 35.2 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | 81.2 | 157.3 | 60.9 | -70.6 | 170.5 | 0 | 0 | 0 | 115.1 | |||||
| 1242 | V | 35 | Very low | 35 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 74.6 | 107.7 | -169.7 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1243 | S | 31.2 | Very low | 34.8 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | cis | 96.9 | 108.1 | 27.5 | -55.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1244 | S | 29.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 51.1 | 110 | 144.4 | 60.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1245 | S | 33.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -154.6 | 152 | 140.4 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1246 | Q | 30.6 | Very low | 34.3 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -96.6 | 162.4 | -177 | -87.3 | 177.7 | -36 | 0 | 0 | 112.7 | ||||
| 1247 | P | 43.8 | Very low | 34.4 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | trans | -79.5 | 172.9 | 176.1 | 35.6 | -38.1 | 0 | 0 | 0 | 112.8 | ||||
| 1248 | P | 38.3 | Very low | 34.5 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | -142.2 | -174.9 | 122.9 | 38.2 | -24.1 | 0 | 0 | 0 | 115.6 | |||||
| 1249 | H | 32.4 | Very low | 34.4 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | -91.2 | -176.8 | -163.4 | -64.2 | -107 | 0 | 0 | 0 | 116.5 | ||||
| 1250 | T | 32.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 94.1 | 150.8 | 154.6 | 81.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1251 | R | 32.3 | Very low | 34.3 | Very low | 218 Ų | 218 | 130.5 Ų | 130.5 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | cis | -162.9 | 147.7 | 8.9 | -146.7 | 173.4 | -172.1 | 176.5 | 1.5 | 112.4 | ||||
| 1252 | S | 33.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 58 | 164.3 | 151.3 | 40.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1253 | S | 34.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | cis | -177.5 | 159 | -13.4 | 46.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1254 | S | 36.6 | Very low | 34.5 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | cis | -174.7 | -167.3 | -18.8 | 59.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1255 | N | 35.7 | Very low | 34.7 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 148.3 | 165.4 | -56.6 | -0.6 | 0 | 0 | 0 | 116.2 | ||||
| 1256 | T | 36.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | cis | -164.9 | 142.4 | -2.7 | 10.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1257 | T | 35.3 | Very low | 34.5 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | 52.6 | 158.2 | 150.2 | 51.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1258 | A | 36.6 | Very low | 33.8 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | -154.8 | 130.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1259 | T | 32.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | 66.5 | 141.6 | 94.6 | 55.7 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1260 | L | 34.3 | Very low | 33.5 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | 79 | 144.4 | 169.2 | -57.3 | 140.5 | 0 | 0 | 0 | 116.9 | ||||
| 1261 | S | 35.4 | Very low | 33.4 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | cis | -165.1 | 159 | -21.2 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1262 | Q | 32.6 | Very low | 33.6 | Very low | 177 Ų | 177 | 124.5 Ų | 124.5 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -48.5 | -178.6 | 164.6 | -102.3 | -174.7 | 9.6 | 0 | 0 | 117 | ||||
| 1263 | P | 40.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -141.7 | -172.7 | -13.8 | 34 | -11.4 | 0 | 0 | 0 | 116.2 | ||||
| 1264 | Y | 28.2 | Very low | 33.5 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 34.9 | 136.3 | 142.5 | -90.8 | -111.1 | 0 | 0 | 0 | 123 | ||||
| 1265 | V | 34.2 | Very low | 33.3 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | -160.9 | 158.9 | 118.6 | 134.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 1266 | S | 28.2 | Very low | 33.2 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 55% | 0.545 | 78% | 0.779 | S | S | . | * | trans | -110.4 | 173.4 | -165.7 | -53.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1267 | T | 30.1 | Very low | 33 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | 72.4 | 118.6 | 145.6 | 37.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1268 | S | 29.7 | Very low | 32.9 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 94.2 | 144.8 | 125 | -63.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1269 | Q | 33 | Very low | 32.6 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | 72.1 | 110.8 | 156.6 | -75.2 | 177.6 | -87.1 | 0 | 0 | 121.4 | ||||
| 1270 | E | 30.7 | Very low | 32.6 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 72.9 | 118 | 123.2 | -69.3 | -178.7 | 109.2 | 0 | 0 | 122.2 | |||||
| 1271 | V | 31.6 | Very low | 32.5 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | 68 | 116.5 | 135.9 | -178.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1272 | G | 36 | Very low | 32.2 | Very low | 68 Ų | 68 | 141.8 Ų | 141.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 132.6 | 75.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1273 | L | 32.1 | Very low | 32.2 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 100% | 1.298 | 79% | 0.788 | S | S | * | * | -167.4 | 0 | 127.7 | -104.2 | 165.2 | 0 | 0 | 0 | 111.5 |
Retrieved 1,273 of 1,273 residues in 1693.2 ms
(Link to these results)