| 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 | 32.9 | Very low | 76.6 | Confident | 226 Ų | 226 | 82 Ų | 82 | 100% | 1.113 | 43% | 0.428 | S | S | * | . | 0 | 142.1 | 0 | -66.1 | -52 | -168.4 | 0 | 0 | 108.7 | |||||
| 2 | P | 53.6 | Low | 77.8 | Confident | 121 Ų | 121 | 75.9 Ų | 75.9 | 79% | 0.786 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 137.9 | 156.9 | 30 | -32.6 | 0 | 0 | 0 | 108.4 | ||
| 3 | Q | 61.2 | Low | 78.8 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 139.8 | 166.6 | -76.8 | 171.5 | -33.4 | 0 | 0 | 108.7 | D7 | Q3-D7 HydrophobicContact CB-CB 3.95Å; Q3-D7 HydrophobicContact CG-CB 4.32Å |
| 4 | S | 79.9 | Confident | 79.7 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 161.3 | 170.5 | 69.2 | 0 | 0 | 0 | 0 | 109.8 | F6 D7 R8 | S4-F6 PolarHBondContact O-N 2.6Å; S4-D7 VanDerWaalsContact CB-OD2 3.28Å; S4-D7 WeakPolarHBondContact CB-OD2 3.41Å; S4-D7 PolarHBondContact N-OD2 3.29Å; S4-D7 PolarHBondContact O-N 2.9Å; S4-D7 PolarHBondContact OG-N 2.89Å; S4-D7 PolarHBondContact OG-OD2 3.17Å; S4-R8 WeakPolarHBondContact O-CB 3.46Å; S4-R8 PolarHBondContact O-N 3.02Å |
| 5 | A | 82.9 | Confident | 80.4 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 8% | 0.083 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R8 I9 E40 | A5-R8 PolarHBondContact O-N 2.68Å; A5-I9 WeakPolarHBondContact O-CB 3.39Å; A5-I9 WeakPolarHBondContact O-CD1 3.49Å; A5-I9 WeakPolarHBondContact O-CG1 3.28Å; A5-I9 PolarHBondContact O-N 2.89Å; A5-E40 WeakPolarHBondContact CB-OE1 3.38Å; A5-E40 WeakPolarHBondContact CB-OE2 3.26Å |
| 6 | F | 87.5 | Confident | 81.1 | Confident | 101 Ų | 101 | 69 Ų | 69 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.7 | -54.6 | 168.9 | -174.4 | -84.9 | 0 | 0 | 0 | 111.8 | S4 R8 I9 V10 L43 F47 | S4-F6 PolarHBondContact O-N 2.6Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 3.18Å; F6-I9 PolarHBondContact O-N 3.35Å; F6-V10 HydrophobicContact CD1-CG2 4.11Å; F6-V10 HydrophobicContact CE1-CG2 3.84Å; F6-V10 HydrophobicContact CZ-CG2 4.3Å; F6-V10 WeakPolarHBondContact O-CG2 3.47Å; F6-V10 PolarHBondContact O-N 2.89Å; F6-L43 HydrophobicContact CB-CD1 4.38Å; F6-L43 HydrophobicContact CD2-CD2 4.24Å; F6-F47 AromaticContact CD2-CE2 3.59Å; F6-F47 HydrophobicContact CD2-CE2 3.59Å; F6-F47 AromaticContact CD2-CZ 3.51Å; F6-F47 HydrophobicContact CD2-CZ 3.51Å; F6-F47 HydrophobicContact CE2-CE1 4.44Å; F6-F47 AromaticContact CE2-CE2 3.8Å; F6-F47 HydrophobicContact CE2-CE2 3.8Å; F6-F47 AromaticContact CE2-CZ 3.46Å; F6-F47 HydrophobicContact CE2-CZ 3.46Å; F6-F47 VanDerWaalsContact CE2-CZ 3.46Å; F6-F47 HydrophobicContact CG-CE2 4.38Å; F6-F47 HydrophobicContact CG-CZ 4.09Å; F6-F47 AromaticContact CZ-CZ 4Å; F6-F47 HydrophobicContact CZ-CZ 4Å |
| 7 | D | 87.8 | Confident | 81.6 | Confident | 75 Ų | 75 | 69 Ų | 69 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | 177.2 | -59.5 | -49.4 | 0 | 0 | 0 | 112 | Q3 S4 T11 | Q3-D7 HydrophobicContact CB-CB 3.95Å; Q3-D7 HydrophobicContact CG-CB 4.32Å; S4-D7 VanDerWaalsContact CB-OD2 3.28Å; S4-D7 WeakPolarHBondContact CB-OD2 3.41Å; S4-D7 PolarHBondContact N-OD2 3.29Å; S4-D7 PolarHBondContact O-N 2.9Å; S4-D7 PolarHBondContact OG-N 2.89Å; S4-D7 PolarHBondContact OG-OD2 3.17Å; D7-T11 VanDerWaalsContact O-CB 3.31Å; D7-T11 WeakPolarHBondContact O-CB 3.31Å; D7-T11 PolarHBondContact O-N 3.19Å; D7-T11 PolarHBondContact O-OG1 3.09Å |
| 8 | R | 88.1 | Confident | 82 | Confident | 102 Ų | 102 | 72.5 Ų | 72.5 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.7 | -38.5 | 179.1 | -175.6 | 173.8 | 174.5 | -174.5 | -6.3 | 112 | S4 A5 F6 T11 L12 L35 | S4-R8 WeakPolarHBondContact O-CB 3.46Å; S4-R8 PolarHBondContact O-N 3.02Å; A5-R8 PolarHBondContact O-N 2.68Å; F6-R8 VanDerWaalsContact C-N 3.26Å; F6-R8 PolarHBondContact O-N 3.18Å; R8-T11 PolarHBondContact O-N 2.84Å; R8-L12 HydrophobicContact CG-CD1 4.05Å; R8-L12 HydrophobicContact CG-CG 4.46Å; R8-L12 WeakPolarHBondContact O-CB 3.37Å; R8-L12 VanDerWaalsContact O-CG 3.27Å; R8-L12 WeakPolarHBondContact O-CG 3.35Å; R8-L12 PolarHBondContact O-N 2.79Å; R8-L35 HydrophobicContact CG-CD1 4.13Å |
| 9 | I | 89.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 173.9 | -70.1 | 157.1 | 0 | 0 | 0 | 109.4 | A5 F6 T11 L12 I13 V32 L35 L36 L43 F47 | A5-I9 WeakPolarHBondContact O-CB 3.39Å; A5-I9 WeakPolarHBondContact O-CD1 3.49Å; A5-I9 WeakPolarHBondContact O-CG1 3.28Å; A5-I9 PolarHBondContact O-N 2.89Å; F6-I9 PolarHBondContact O-N 3.35Å; I9-T11 VanDerWaalsContact C-N 3.31Å; I9-T11 PolarHBondContact O-N 3.26Å; I9-L12 PolarHBondContact O-N 2.92Å; I9-I13 HydrophobicContact CG2-CD1 3.55Å; I9-I13 HydrophobicContact CG2-CG1 4.3Å; I9-I13 WeakPolarHBondContact O-CB 3.27Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3.47Å; I9-V32 HydrophobicContact CG2-CG1 4.22Å; I9-L35 HydrophobicContact CD1-CB 4.09Å; I9-L35 HydrophobicContact CG1-CB 3.93Å; I9-L35 HydrophobicContact CG1-CD1 3.9Å; I9-L36 HydrophobicContact CD1-CD2 3.69Å; I9-L36 HydrophobicContact CD1-CG 4.32Å; I9-L36 HydrophobicContact CG1-CD2 4.49Å; I9-L36 HydrophobicContact CG2-CD2 4.45Å; I9-L43 HydrophobicContact CD1-CD1 3.73Å; I9-F47 HydrophobicContact CB-CE2 4.23Å; I9-F47 HydrophobicContact CB-CZ 4.19Å; I9-F47 HydrophobicContact CD1-CD2 4.46Å; I9-F47 HydrophobicContact CD1-CE2 4.28Å; I9-F47 HydrophobicContact CG2-CB 4.44Å; I9-F47 HydrophobicContact CG2-CD1 3.7Å; I9-F47 HydrophobicContact CG2-CD2 3.79Å; I9-F47 HydrophobicContact CG2-CE1 3.73Å; I9-F47 HydrophobicContact CG2-CE2 3.8Å; I9-F47 HydrophobicContact CG2-CG 3.73Å; I9-F47 HydrophobicContact CG2-CZ 3.77Å |
| 10 | V | 89.6 | Confident | 82.3 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 28% | 0.279 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56 | -45.4 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F6 I13 N14 F47 | F6-V10 HydrophobicContact CD1-CG2 4.11Å; F6-V10 HydrophobicContact CE1-CG2 3.84Å; F6-V10 HydrophobicContact CZ-CG2 4.3Å; F6-V10 WeakPolarHBondContact O-CG2 3.47Å; F6-V10 PolarHBondContact O-N 2.89Å; V10-I13 PolarHBondContact O-N 3.41Å; V10-N14 WeakPolarHBondContact O-CB 3.34Å; V10-N14 PolarHBondContact O-N 3.25Å; V10-N14 PolarHBondContact O-ND2 3.29Å; V10-F47 HydrophobicContact CG2-CE1 3.78Å; V10-F47 HydrophobicContact CG2-CZ 3.85Å |
| 11 | T | 89.3 | Confident | 82.5 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | D7 R8 I9 I13 N14 E15 | D7-T11 VanDerWaalsContact O-CB 3.31Å; D7-T11 WeakPolarHBondContact O-CB 3.31Å; D7-T11 PolarHBondContact O-N 3.19Å; D7-T11 PolarHBondContact O-OG1 3.09Å; R8-T11 PolarHBondContact O-N 2.84Å; I9-T11 VanDerWaalsContact C-N 3.31Å; I9-T11 PolarHBondContact O-N 3.26Å; T11-I13 PolarHBondContact O-N 2.88Å; T11-N14 PolarHBondContact O-N 3.26Å; T11-E15 WeakPolarHBondContact O-CB 3.4Å; T11-E15 WeakPolarHBondContact O-CG 3.38Å; T11-E15 PolarHBondContact O-N 3.33Å |
| 12 | L | 91.7 | Very high | 85.1 | Confident | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.4 | -36.3 | -179.8 | -73.6 | 166.6 | 0 | 0 | 0 | 113 | R8 I9 A16 N28 Q31 V32 L35 | R8-L12 HydrophobicContact CG-CD1 4.05Å; R8-L12 HydrophobicContact CG-CG 4.46Å; R8-L12 WeakPolarHBondContact O-CB 3.37Å; R8-L12 VanDerWaalsContact O-CG 3.27Å; R8-L12 WeakPolarHBondContact O-CG 3.35Å; R8-L12 PolarHBondContact O-N 2.79Å; I9-L12 PolarHBondContact O-N 2.92Å; L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.17Å; L12-N28 HydrophobicContact CD2-CB 4.28Å; L12-N28 PolarHBondContact O-ND2 3.47Å; L12-Q31 HydrophobicContact CD1-CB 3.76Å; L12-Q31 HydrophobicContact CD2-CB 4.4Å; L12-V32 HydrophobicContact CB-CG2 3.56Å; L12-V32 HydrophobicContact CD1-CG2 4.2Å; L12-L35 HydrophobicContact CD1-CD1 3.78Å |
| 13 | I | 91.1 | Very high | 86.8 | Confident | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 175.3 | -69.9 | 171.4 | 0 | 0 | 0 | 110.4 | I9 V10 T11 A16 S17 V32 F47 E50 F54 | I9-I13 HydrophobicContact CG2-CD1 3.55Å; I9-I13 HydrophobicContact CG2-CG1 4.3Å; I9-I13 WeakPolarHBondContact O-CB 3.27Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3.47Å; V10-I13 PolarHBondContact O-N 3.41Å; T11-I13 PolarHBondContact O-N 2.88Å; I13-A16 PolarHBondContact O-N 3.37Å; I13-S17 PolarHBondContact O-N 3.27Å; I13-V32 HydrophobicContact CD1-CG1 4.23Å; I13-V32 HydrophobicContact CG1-CG1 4.21Å; I13-V32 HydrophobicContact CG1-CG2 3.88Å; I13-F47 HydrophobicContact CD1-CD1 3.68Å; I13-F47 HydrophobicContact CD1-CE1 4.24Å; I13-F47 HydrophobicContact CD1-CG 4.39Å; I13-E50 HydrophobicContact CD1-CB 4.05Å; I13-F54 HydrophobicContact CG2-CE2 4.48Å |
| 14 | N | 91.1 | Very high | 88.1 | Confident | 84 Ų | 84 | 63 Ų | 63 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 175.6 | -71.3 | -20.7 | 0 | 0 | 0 | 112.1 | V10 T11 A16 S17 L18 | V10-N14 WeakPolarHBondContact O-CB 3.34Å; V10-N14 PolarHBondContact O-N 3.25Å; V10-N14 PolarHBondContact O-ND2 3.29Å; T11-N14 PolarHBondContact O-N 3.26Å; N14-A16 VanDerWaalsContact C-N 3.33Å; N14-A16 PolarHBondContact O-N 2.94Å; N14-S17 PolarHBondContact O-N 3.02Å; N14-S17 PolarHBondContact O-OG 3.29Å; N14-L18 WeakPolarHBondContact O-CB 3.44Å; N14-L18 VanDerWaalsContact O-CG 3.25Å; N14-L18 WeakPolarHBondContact O-CG 3.26Å; N14-L18 PolarHBondContact O-N 2.9Å |
| 15 | E | 90 | Very high | 88.6 | Confident | 93 Ų | 93 | 62 Ų | 62 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 170.8 | -74.9 | 176.8 | -171.1 | 0 | 0 | 111.6 | T11 L18 A19 N28 | T11-E15 WeakPolarHBondContact O-CB 3.4Å; T11-E15 WeakPolarHBondContact O-CG 3.38Å; T11-E15 PolarHBondContact O-N 3.33Å; E15-L18 PolarHBondContact O-N 3.14Å; E15-A19 WeakPolarHBondContact O-CB 3.03Å; E15-A19 PolarHBondContact O-N 3.46Å; E15-N28 WeakPolarHBondContact CB-ND2 3.19Å; E15-N28 PolarHBondContact OE2-ND2 3.31Å |
| 16 | A | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.4 | -31.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L12 I13 N14 K25 N28 L29 F54 | L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.4Å; L12-A16 PolarHBondContact O-N 3.17Å; I13-A16 PolarHBondContact O-N 3.37Å; N14-A16 VanDerWaalsContact C-N 3.33Å; N14-A16 PolarHBondContact O-N 2.94Å; A16-K25 WeakPolarHBondContact O-CD 3.36Å; A16-K25 VanDerWaalsContact O-CE 3.29Å; A16-K25 WeakPolarHBondContact O-CE 3.25Å; A16-K25 WeakPolarHBondContact O-CG 3.47Å; A16-N28 HydrophobicContact CB-CB 3.99Å; A16-L29 HydrophobicContact CB-CG 4.5Å; A16-F54 HydrophobicContact CB-CE1 3.91Å; A16-F54 HydrophobicContact CB-CZ 3.74Å |
| 17 | S | 89.6 | Confident | 89.3 | Confident | 69 Ų | 69 | 61.2 Ų | 61.2 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.9 | -37.6 | 175 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | I13 N14 | I13-S17 PolarHBondContact O-N 3.27Å; N14-S17 PolarHBondContact O-N 3.02Å; N14-S17 PolarHBondContact O-OG 3.29Å |
| 18 | L | 89.1 | Confident | 89.5 | Confident | 132 Ų | 132 | 58.1 Ų | 58.1 | 69% | 0.691 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -78.4 | -27.1 | 177.9 | -66.2 | 171 | 0 | 0 | 0 | 113.9 | N14 E15 H20 | N14-L18 WeakPolarHBondContact O-CB 3.44Å; N14-L18 VanDerWaalsContact O-CG 3.25Å; N14-L18 WeakPolarHBondContact O-CG 3.26Å; N14-L18 PolarHBondContact O-N 2.9Å; E15-L18 PolarHBondContact O-N 3.14Å; L18-H20 PolarHBondContact O-N 3.48Å |
| 19 | A | 87.9 | Confident | 89.7 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | trans | -69.2 | 115.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E15 L21 V24 K25 | E15-A19 WeakPolarHBondContact O-CB 3.03Å; E15-A19 PolarHBondContact O-N 3.46Å; A19-L21 VanDerWaalsContact C-N 3.26Å; A19-L21 PolarHBondContact O-N 3.25Å; A19-V24 HydrophobicContact CB-CB 4.03Å; A19-V24 HydrophobicContact CB-CG1 3.77Å; A19-K25 HydrophobicContact CB-CG 4.27Å; A19-K25 WeakPolarHBondContact O-CE 3.33Å | ||
| 20 | H | 82.4 | Confident | 89.8 | Confident | 197 Ų | 197 | 57.9 Ų | 57.9 | 91% | 0.912 | 33% | 0.325 | S | S | * | . | trans | -69.1 | -21 | 173.4 | -56.5 | -48.6 | 0 | 0 | 0 | 114 | L18 | L18-H20 PolarHBondContact O-N 3.48Š| ||
| 21 | L | 86.6 | Confident | 89.8 | Confident | 111 Ų | 111 | 58.2 Ų | 58.2 | 58% | 0.581 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -94.8 | 116.1 | -174.5 | -165.7 | 69.9 | 0 | 0 | 0 | 111.3 | A19 S23 V24 K25 | A19-L21 VanDerWaalsContact C-N 3.26Å; A19-L21 PolarHBondContact O-N 3.25Å; L21-S23 WeakPolarHBondContact CD2-OG 3.45Å; L21-S23 WeakPolarHBondContact CG-OG 3.4Å; L21-S23 PolarHBondContact O-N 2.84Å; L21-S23 VanDerWaalsContact O-N 3.12Å; L21-V24 HydrophobicContact CB-CG2 4.26Å; L21-V24 HydrophobicContact CD2-CG2 4.29Å; L21-V24 WeakPolarHBondContact O-CB 3.37Å; L21-V24 PolarHBondContact O-N 3.45Å; L21-K25 PolarHBondContact O-N 3.38Å |
| 22 | A | 86.8 | Confident | 89.8 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -29.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V24 K25 V26 N59 V62 | A22-V24 VanDerWaalsContact C-N 3.33Å; A22-V24 PolarHBondContact O-N 2.88Å; A22-K25 PolarHBondContact O-N 2.81Å; A22-V26 WeakPolarHBondContact O-CG2 3.36Å; A22-V26 PolarHBondContact O-N 3.41Å; A22-N59 HydrophobicContact CB-CB 3.88Å; A22-N59 VanDerWaalsContact CB-CG 3.47Å; A22-N59 WeakPolarHBondContact CB-ND2 3.31Å; A22-V62 HydrophobicContact CB-CG2 4.34Å |
| 23 | S | 88.7 | Confident | 89.8 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 54% | 0.538 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.9 | -32.5 | 174.5 | 54.5 | 0 | 0 | 0 | 0 | 113 | L21 S27 | L21-S23 WeakPolarHBondContact CD2-OG 3.45Å; L21-S23 WeakPolarHBondContact CG-OG 3.4Å; L21-S23 PolarHBondContact O-N 2.84Å; L21-S23 VanDerWaalsContact O-N 3.12Å; S23-S27 VanDerWaalsContact O-CB 3.25Å; S23-S27 WeakPolarHBondContact O-CB 3.47Å; S23-S27 PolarHBondContact O-N 3.35Å |
| 24 | V | 88.9 | Confident | 89.7 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.1 | -43.6 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | A19 L21 A22 V26 S27 N28 | A19-V24 HydrophobicContact CB-CB 4.03Å; A19-V24 HydrophobicContact CB-CG1 3.77Å; L21-V24 HydrophobicContact CB-CG2 4.26Å; L21-V24 HydrophobicContact CD2-CG2 4.29Å; L21-V24 WeakPolarHBondContact O-CB 3.37Å; L21-V24 PolarHBondContact O-N 3.45Å; A22-V24 VanDerWaalsContact C-N 3.33Å; A22-V24 PolarHBondContact O-N 2.88Å; V24-V26 PolarHBondContact O-N 3.12Å; V24-S27 PolarHBondContact O-N 3.05Å; V24-N28 WeakPolarHBondContact O-CB 3.44Å; V24-N28 PolarHBondContact O-N 3.43Å |
| 25 | K | 91.3 | Very high | 89.6 | Confident | 33 Ų | 33 | 59 Ų | 59 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.6 | -52.7 | 173 | -62.1 | -157.8 | 176.5 | -167.9 | 0 | 111.7 | A16 A19 L21 A22 S27 N28 L29 D57 V62 | A16-K25 WeakPolarHBondContact O-CD 3.36Å; A16-K25 VanDerWaalsContact O-CE 3.29Å; A16-K25 WeakPolarHBondContact O-CE 3.25Å; A16-K25 WeakPolarHBondContact O-CG 3.47Å; A19-K25 HydrophobicContact CB-CG 4.27Å; A19-K25 WeakPolarHBondContact O-CE 3.33Å; L21-K25 PolarHBondContact O-N 3.38Å; A22-K25 PolarHBondContact O-N 2.81Å; K25-S27 PolarHBondContact O-N 2.87Å; K25-N28 PolarHBondContact O-N 3.34Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.32Å; K25-L29 PolarHBondContact O-N 3.02Å; K25-D57 WeakPolarHBondContact CD-OD2 3.25Å; K25-D57 WeakPolarHBondContact CE-OD2 3.16Å; K25-D57 IonicContact NZ-OD2 2.61Å; K25-D57 PolarHBondContact NZ-OD2 2.86Å; K25-V62 HydrophobicContact CB-CG2 4Å; K25-V62 HydrophobicContact CD-CG2 4.41Å |
| 26 | V | 92.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A22 V24 N28 L29 L30 E61 V62 | A22-V26 WeakPolarHBondContact O-CG2 3.36Å; A22-V26 PolarHBondContact O-N 3.41Å; V24-V26 PolarHBondContact O-N 3.12Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 2.96Å; V26-L29 PolarHBondContact O-N 3.37Å; V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.21Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.47Å; V26-L30 PolarHBondContact O-N 2.91Å; V26-E61 HydrophobicContact CG2-CB 4.23Å; V26-V62 HydrophobicContact CG2-CG2 3.87Å |
| 27 | S | 91.9 | Very high | 89.2 | Confident | 64 Ų | 64 | 55 Ų | 55 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.7 | -27.3 | 178.4 | -166.8 | 0 | 0 | 0 | 0 | 113.9 | S23 V24 K25 Q31 | S23-S27 VanDerWaalsContact O-CB 3.25Å; S23-S27 WeakPolarHBondContact O-CB 3.47Å; S23-S27 PolarHBondContact O-N 3.35Å; V24-S27 PolarHBondContact O-N 3.05Å; K25-S27 PolarHBondContact O-N 2.87Å; S27-Q31 WeakPolarHBondContact O-CG 3.43Å; S27-Q31 PolarHBondContact O-NE2 2.88Å |
| 28 | N | 91.7 | Very high | 88.9 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -85.9 | -41.6 | 175.7 | -79.1 | 22.1 | 0 | 0 | 0 | 111.4 | L12 E15 A16 V24 K25 V26 L30 Q31 V32 | L12-N28 HydrophobicContact CD2-CB 4.28Å; L12-N28 PolarHBondContact O-ND2 3.47Å; E15-N28 WeakPolarHBondContact CB-ND2 3.19Å; E15-N28 PolarHBondContact OE2-ND2 3.31Å; A16-N28 HydrophobicContact CB-CB 3.99Å; V24-N28 WeakPolarHBondContact O-CB 3.44Å; V24-N28 PolarHBondContact O-N 3.43Å; K25-N28 PolarHBondContact O-N 3.34Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 2.96Å; N28-L30 VanDerWaalsContact C-N 3.29Å; N28-L30 PolarHBondContact O-N 2.89Å; N28-Q31 PolarHBondContact O-N 2.83Å; N28-Q31 VanDerWaalsContact O-N 3.15Å; N28-V32 WeakPolarHBondContact O-CG2 3.31Å; N28-V32 PolarHBondContact O-N 3.08Å |
| 29 | L | 92.1 | Very high | 88.5 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -33.2 | 173.9 | -69.6 | 172.2 | 0 | 0 | 0 | 112.6 | A16 K25 V26 V32 K33 V51 F54 V62 | A16-L29 HydrophobicContact CB-CG 4.5Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.32Å; K25-L29 PolarHBondContact O-N 3.02Å; V26-L29 PolarHBondContact O-N 3.37Å; L29-V32 PolarHBondContact O-N 3.11Å; L29-K33 WeakPolarHBondContact O-CB 3.3Å; L29-K33 PolarHBondContact O-N 2.79Å; L29-V51 HydrophobicContact CD2-CG1 4.41Å; L29-F54 HydrophobicContact CD1-CB 4.07Å; L29-F54 HydrophobicContact CD1-CD1 3.89Å; L29-F54 HydrophobicContact CD1-CD2 4.43Å; L29-F54 HydrophobicContact CD1-CE1 4.45Å; L29-F54 HydrophobicContact CD1-CG 3.88Å; L29-F54 HydrophobicContact CD2-CD1 4.38Å; L29-F54 HydrophobicContact CD2-CD2 3.71Å; L29-F54 HydrophobicContact CD2-CE1 4.45Å; L29-F54 HydrophobicContact CD2-CE2 3.81Å; L29-F54 HydrophobicContact CD2-CG 4.01Å; L29-F54 HydrophobicContact CD2-CZ 4.19Å; L29-V62 HydrophobicContact CD1-CG1 3.9Å |
| 30 | L | 91.9 | Very high | 88.2 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 172.7 | -73.7 | 171.9 | 0 | 0 | 0 | 112.5 | V26 N28 K33 E34 | V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.21Å; V26-L30 WeakPolarHBondContact O-CB 3.33Å; V26-L30 VanDerWaalsContact O-CG 3.24Å; V26-L30 WeakPolarHBondContact O-CG 3.47Å; V26-L30 PolarHBondContact O-N 2.91Å; N28-L30 VanDerWaalsContact C-N 3.29Å; N28-L30 PolarHBondContact O-N 2.89Å; L30-K33 PolarHBondContact O-N 3.24Å; L30-E34 WeakPolarHBondContact O-CB 3.3Å; L30-E34 PolarHBondContact O-N 3.41Å |
| 31 | Q | 89.2 | Confident | 88.3 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 171.4 | -75.1 | 174.9 | 85.9 | 0 | 0 | 112 | L12 S27 N28 E34 L35 | L12-Q31 HydrophobicContact CD1-CB 3.76Å; L12-Q31 HydrophobicContact CD2-CB 4.4Å; S27-Q31 WeakPolarHBondContact O-CG 3.43Å; S27-Q31 PolarHBondContact O-NE2 2.88Å; N28-Q31 PolarHBondContact O-N 2.83Å; N28-Q31 VanDerWaalsContact O-N 3.15Å; Q31-E34 PolarHBondContact O-N 2.82Å; Q31-L35 WeakPolarHBondContact O-CB 3.33Å; Q31-L35 VanDerWaalsContact O-CG 3.26Å; Q31-L35 WeakPolarHBondContact O-CG 3.18Å; Q31-L35 PolarHBondContact O-N 3.24Å |
| 32 | V | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | I9 L12 I13 N28 L29 L35 L36 V51 | I9-V32 HydrophobicContact CG2-CG1 4.22Å; L12-V32 HydrophobicContact CB-CG2 3.56Å; L12-V32 HydrophobicContact CD1-CG2 4.2Å; I13-V32 HydrophobicContact CD1-CG1 4.23Å; I13-V32 HydrophobicContact CG1-CG1 4.21Å; I13-V32 HydrophobicContact CG1-CG2 3.88Å; N28-V32 WeakPolarHBondContact O-CG2 3.31Å; N28-V32 PolarHBondContact O-N 3.08Å; L29-V32 PolarHBondContact O-N 3.11Å; V32-L35 PolarHBondContact O-N 3.23Å; V32-L36 HydrophobicContact CG1-CD1 3.55Å; V32-L36 HydrophobicContact CG1-CG 4.12Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.25Å; V32-L36 WeakPolarHBondContact O-CG 3.28Å; V32-L36 PolarHBondContact O-N 2.83Å; V32-V51 HydrophobicContact CG1-CG2 3.58Å |
| 33 | K | 91.2 | Very high | 88.2 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 171.5 | 176.1 | 176.7 | 171.9 | 176 | 0 | 111.7 | L29 L30 L35 L36 I37 G68 F69 D72 | L29-K33 WeakPolarHBondContact O-CB 3.3Å; L29-K33 PolarHBondContact O-N 2.79Å; L30-K33 PolarHBondContact O-N 3.24Å; K33-L35 VanDerWaalsContact C-N 3.35Å; K33-L35 PolarHBondContact O-N 3.49Å; K33-L36 PolarHBondContact O-N 2.73Å; K33-I37 HydrophobicContact CG-CD1 3.88Å; K33-I37 HydrophobicContact CG-CG1 4.31Å; K33-I37 VanDerWaalsContact O-CB 3.29Å; K33-I37 WeakPolarHBondContact O-CB 3.22Å; K33-I37 WeakPolarHBondContact O-CG1 3.12Å; K33-I37 PolarHBondContact O-N 3.18Å; K33-G68 PolarHBondContact NZ-O 3.34Å; K33-F69 HydrophobicContact CB-CD2 4.08Å; K33-F69 HydrophobicContact CG-CD2 4.13Å; K33-D72 WeakPolarHBondContact CE-OD2 3.49Å; K33-D72 IonicContact NZ-OD2 2.71Å; K33-D72 PolarHBondContact NZ-OD2 3.42Å |
| 34 | E | 89.8 | Confident | 88.1 | Confident | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.9 | -46 | 178.4 | -172.2 | -173.6 | 164.4 | 0 | 0 | 111.6 | L30 Q31 H38 R39 | L30-E34 WeakPolarHBondContact O-CB 3.3Å; L30-E34 PolarHBondContact O-N 3.41Å; Q31-E34 PolarHBondContact O-N 2.82Å; E34-H38 WeakPolarHBondContact O-CB 3.11Å; E34-H38 PolarHBondContact O-N 2.79Å; E34-R39 PolarHBondContact O-N 3.02Å |
| 35 | L | 87.4 | Confident | 88 | Confident | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -66.8 | -42.4 | 178.4 | -68.1 | 170.2 | 0 | 0 | 0 | 112.6 | R8 I9 L12 Q31 V32 K33 R39 E40 | R8-L35 HydrophobicContact CG-CD1 4.13Å; I9-L35 HydrophobicContact CD1-CB 4.09Å; I9-L35 HydrophobicContact CG1-CB 3.93Å; I9-L35 HydrophobicContact CG1-CD1 3.9Å; L12-L35 HydrophobicContact CD1-CD1 3.78Å; Q31-L35 WeakPolarHBondContact O-CB 3.33Å; Q31-L35 VanDerWaalsContact O-CG 3.26Å; Q31-L35 WeakPolarHBondContact O-CG 3.18Å; Q31-L35 PolarHBondContact O-N 3.24Å; V32-L35 PolarHBondContact O-N 3.23Å; K33-L35 VanDerWaalsContact C-N 3.35Å; K33-L35 PolarHBondContact O-N 3.49Å; L35-R39 WeakPolarHBondContact O-CB 3.25Å; L35-R39 PolarHBondContact O-N 2.97Å; L35-E40 PolarHBondContact O-N 3.38Å |
| 36 | L | 88.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -78.9 | -25.7 | -177.3 | -67.8 | 177.3 | 0 | 0 | 0 | 114.5 | I9 V32 K33 C41 L43 L44 F47 V51 F69 | I9-L36 HydrophobicContact CD1-CD2 3.69Å; I9-L36 HydrophobicContact CD1-CG 4.32Å; I9-L36 HydrophobicContact CG1-CD2 4.49Å; I9-L36 HydrophobicContact CG2-CD2 4.45Å; V32-L36 HydrophobicContact CG1-CD1 3.55Å; V32-L36 HydrophobicContact CG1-CG 4.12Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.25Å; V32-L36 WeakPolarHBondContact O-CG 3.28Å; V32-L36 PolarHBondContact O-N 2.83Å; K33-L36 PolarHBondContact O-N 2.73Å; L36-C41 WeakPolarHBondContact O-CA 3.46Å; L36-L43 HydrophobicContact CD2-CB 3.78Å; L36-L44 HydrophobicContact CB-CD1 3.97Å; L36-F47 HydrophobicContact CD1-CB 3.76Å; L36-F47 HydrophobicContact CD2-CB 3.93Å; L36-F47 HydrophobicContact CD2-CD2 3.76Å; L36-F47 HydrophobicContact CD2-CG 4.22Å; L36-V51 HydrophobicContact CD1-CG2 3.96Å; L36-F69 HydrophobicContact CB-CE2 4.38Å; L36-F69 HydrophobicContact CD1-CE2 3.94Å; L36-F69 HydrophobicContact CD1-CZ 4.07Å |
| 37 | I | 86.1 | Confident | 87.7 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -108.7 | -29.1 | -173.1 | -58.9 | -166.5 | 0 | 0 | 0 | 112.7 | K33 C41 L44 F69 D72 V76 | K33-I37 HydrophobicContact CG-CD1 3.88Å; K33-I37 HydrophobicContact CG-CG1 4.31Å; K33-I37 VanDerWaalsContact O-CB 3.29Å; K33-I37 WeakPolarHBondContact O-CB 3.22Å; K33-I37 WeakPolarHBondContact O-CG1 3.12Å; K33-I37 PolarHBondContact O-N 3.18Å; I37-C41 PolarHBondContact O-SG 2.83Å; I37-C41 VanDerWaalsContact O-SG 3.37Å; I37-L44 HydrophobicContact CG1-CD1 4.21Å; I37-F69 HydrophobicContact CD1-CD2 3.94Å; I37-F69 HydrophobicContact CD1-CE2 4.15Å; I37-F69 HydrophobicContact CG1-CE2 4.34Å; I37-D72 HydrophobicContact CD1-CB 3.59Å; I37-D72 HydrophobicContact CG2-CB 4.26Å; I37-V76 HydrophobicContact CG2-CG2 4Å |
| 38 | H | 82.5 | Confident | 87.6 | Confident | 142 Ų | 142 | 51.5 Ų | 51.5 | 66% | 0.657 | 26% | 0.26 | S | S | * | . | I | π-helix | trans | -113.7 | -13.5 | -177.4 | -58.2 | -44.6 | 0 | 0 | 0 | 114.7 | E34 | E34-H38 WeakPolarHBondContact O-CB 3.11Å; E34-H38 PolarHBondContact O-N 2.79Å |
| 39 | R | 81.4 | Confident | 87.5 | Confident | 152 Ų | 152 | 53.2 Ų | 53.2 | 57% | 0.574 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -116.4 | -52.9 | -174.3 | -159.4 | -179.2 | 178.7 | -151.3 | -7.5 | 114 | E34 L35 | E34-R39 PolarHBondContact O-N 3.02Å; L35-R39 WeakPolarHBondContact O-CB 3.25Å; L35-R39 PolarHBondContact O-N 2.97Å |
| 40 | E | 82 | Confident | 87.5 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | trans | -136.3 | 71.5 | -175.7 | -70 | 179.9 | -145.2 | 0 | 0 | 110.6 | A5 L35 S42 L43 | A5-E40 WeakPolarHBondContact CB-OE1 3.38Å; A5-E40 WeakPolarHBondContact CB-OE2 3.26Å; L35-E40 PolarHBondContact O-N 3.38Å; E40-S42 PolarHBondContact O-N 2.9Å; E40-S42 VanDerWaalsContact O-N 3.09Å; E40-L43 HydrophobicContact CB-CD1 4.05Å; E40-L43 HydrophobicContact CB-CG 4.15Å; E40-L43 WeakPolarHBondContact O-CB 3.33Å; E40-L43 PolarHBondContact O-N 2.65Å; E40-L43 WeakPolarHBondContact OE2-CD1 3.29Å | ||
| 41 | C | 84.3 | Confident | 87.4 | Confident | 61 Ų | 61 | 51 Ų | 51 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -58.5 | -23.5 | -177.4 | -49.3 | 0 | 0 | 0 | 0 | 113.9 | L36 I37 L43 L44 V76 | L36-C41 WeakPolarHBondContact O-CA 3.46Å; I37-C41 PolarHBondContact O-SG 2.83Å; I37-C41 VanDerWaalsContact O-SG 3.37Å; C41-L43 PolarHBondContact O-N 2.65Å; C41-L44 WeakPolarHBondContact O-CB 3.36Å; C41-L44 PolarHBondContact O-N 2.69Å; C41-L44 VanDerWaalsContact O-N 3.12Å; C41-V76 HydrophobicContact CB-CG1 4.41Å |
| 42 | S | 83.9 | Confident | 87.5 | Confident | 95 Ų | 95 | 48.7 Ų | 48.7 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -64.7 | -20.3 | 171.8 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | E40 N46 | E40-S42 PolarHBondContact O-N 2.9Å; E40-S42 VanDerWaalsContact O-N 3.09Å; S42-N46 PolarHBondContact O-ND2 2.98Å |
| 43 | L | 86.7 | Confident | 87.4 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -85.9 | -14.9 | 173.2 | -63.2 | -175.9 | 0 | 0 | 0 | 112.9 | F6 I9 L36 E40 C41 D45 N46 F47 | F6-L43 HydrophobicContact CB-CD1 4.38Å; F6-L43 HydrophobicContact CD2-CD2 4.24Å; I9-L43 HydrophobicContact CD1-CD1 3.73Å; L36-L43 HydrophobicContact CD2-CB 3.78Å; E40-L43 HydrophobicContact CB-CD1 4.05Å; E40-L43 HydrophobicContact CB-CG 4.15Å; E40-L43 WeakPolarHBondContact O-CB 3.33Å; E40-L43 PolarHBondContact O-N 2.65Å; E40-L43 WeakPolarHBondContact OE2-CD1 3.29Å; C41-L43 PolarHBondContact O-N 2.65Å; L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 3.18Å; L43-N46 WeakPolarHBondContact O-CB 3.38Å; L43-N46 PolarHBondContact O-N 2.89Å; L43-F47 HydrophobicContact CB-CD2 4.07Å; L43-F47 HydrophobicContact CB-CE2 4.27Å; L43-F47 HydrophobicContact CD1-CE2 4.41Å; L43-F47 WeakPolarHBondContact O-CD2 3.22Å; L43-F47 PolarHBondContact O-N 3.49Å |
| 44 | L | 87 | Confident | 87.5 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.4 | -45.2 | -179.2 | -175 | 65 | 0 | 0 | 0 | 111.5 | L36 I37 C41 N46 F47 F48 F69 A73 L80 | L36-L44 HydrophobicContact CB-CD1 3.97Å; I37-L44 HydrophobicContact CG1-CD1 4.21Å; C41-L44 WeakPolarHBondContact O-CB 3.36Å; C41-L44 PolarHBondContact O-N 2.69Å; C41-L44 VanDerWaalsContact O-N 3.12Å; L44-N46 PolarHBondContact O-N 3.14Å; L44-F47 PolarHBondContact O-N 2.78Å; L44-F48 VanDerWaalsContact O-CB 3.31Å; L44-F48 WeakPolarHBondContact O-CB 3.36Å; L44-F48 PolarHBondContact O-N 3.44Å; L44-F69 HydrophobicContact CD1-CE2 3.79Å; L44-F69 HydrophobicContact CD1-CZ 3.56Å; L44-A73 HydrophobicContact CD1-CB 4.2Å; L44-A73 HydrophobicContact CD2-CB 4.15Å; L44-L80 HydrophobicContact CD2-CD1 3.52Å; L44-L80 HydrophobicContact CG-CD1 3.72Å |
| 45 | D | 85.5 | Confident | 87.5 | Confident | 82 Ų | 82 | 45 Ų | 45 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.4 | -25.2 | -179.4 | -153.6 | 5.6 | 0 | 0 | 0 | 113.1 | L43 R83 | L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 3.18Å; D45-R83 PolarHBondContact O-NH1 3.12Å; D45-R83 IonicContact OD1-CZ 3.05Å; D45-R83 IonicContact OD1-NH1 2.69Å; D45-R83 PolarHBondContact OD1-NH1 3.38Å; D45-R83 IonicContact OD1-NH2 2.65Å; D45-R83 PolarHBondContact OD1-NH2 2.81Å; D45-R83 IonicContact OD2-NH2 3.81Å |
| 46 | N | 87.5 | Confident | 87.6 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -88.5 | -18.9 | -179.3 | -65.6 | -74.6 | 0 | 0 | 0 | 114.3 | S42 L43 L44 | S42-N46 PolarHBondContact O-ND2 2.98Å; L43-N46 WeakPolarHBondContact O-CB 3.38Å; L43-N46 PolarHBondContact O-N 2.89Å; L44-N46 PolarHBondContact O-N 3.14Å |
| 47 | F | 90 | Very high | 87.7 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -124.6 | 2 | -177.4 | -69.3 | -75.7 | 0 | 0 | 0 | 113.9 | F6 I9 V10 I13 L36 L43 L44 E49 E50 V51 | F6-F47 AromaticContact CD2-CE2 3.59Å; F6-F47 HydrophobicContact CD2-CE2 3.59Å; F6-F47 AromaticContact CD2-CZ 3.51Å; F6-F47 HydrophobicContact CD2-CZ 3.51Å; F6-F47 HydrophobicContact CE2-CE1 4.44Å; F6-F47 AromaticContact CE2-CE2 3.8Å; F6-F47 HydrophobicContact CE2-CE2 3.8Å; F6-F47 AromaticContact CE2-CZ 3.46Å; F6-F47 HydrophobicContact CE2-CZ 3.46Å; F6-F47 VanDerWaalsContact CE2-CZ 3.46Å; F6-F47 HydrophobicContact CG-CE2 4.38Å; F6-F47 HydrophobicContact CG-CZ 4.09Å; F6-F47 AromaticContact CZ-CZ 4Å; F6-F47 HydrophobicContact CZ-CZ 4Å; I9-F47 HydrophobicContact CB-CE2 4.23Å; I9-F47 HydrophobicContact CB-CZ 4.19Å; I9-F47 HydrophobicContact CD1-CD2 4.46Å; I9-F47 HydrophobicContact CD1-CE2 4.28Å; I9-F47 HydrophobicContact CG2-CB 4.44Å; I9-F47 HydrophobicContact CG2-CD1 3.7Å; I9-F47 HydrophobicContact CG2-CD2 3.79Å; I9-F47 HydrophobicContact CG2-CE1 3.73Å; I9-F47 HydrophobicContact CG2-CE2 3.8Å; I9-F47 HydrophobicContact CG2-CG 3.73Å; I9-F47 HydrophobicContact CG2-CZ 3.77Å; V10-F47 HydrophobicContact CG2-CE1 3.78Å; V10-F47 HydrophobicContact CG2-CZ 3.85Å; I13-F47 HydrophobicContact CD1-CD1 3.68Å; I13-F47 HydrophobicContact CD1-CE1 4.24Å; I13-F47 HydrophobicContact CD1-CG 4.39Å; L36-F47 HydrophobicContact CD1-CB 3.76Å; L36-F47 HydrophobicContact CD2-CB 3.93Å; L36-F47 HydrophobicContact CD2-CD2 3.76Å; L36-F47 HydrophobicContact CD2-CG 4.22Å; L43-F47 HydrophobicContact CB-CD2 4.07Å; L43-F47 HydrophobicContact CB-CE2 4.27Å; L43-F47 HydrophobicContact CD1-CE2 4.41Å; L43-F47 WeakPolarHBondContact O-CD2 3.22Å; L43-F47 PolarHBondContact O-N 3.49Å; L44-F47 PolarHBondContact O-N 2.78Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 3.31Å; F47-E50 HydrophobicContact CD1-CB 4.48Å; F47-E50 HydrophobicContact CD1-CG 4.38Å; F47-E50 PolarHBondContact O-N 3.4Å; F47-V51 PolarHBondContact O-N 3.48Å |
| 48 | F | 91 | Very high | 87.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.4 | -48 | 179.6 | 178.8 | -94.3 | 0 | 0 | 0 | 111.7 | L44 V51 V52 F69 A73 L80 R83 A84 | L44-F48 VanDerWaalsContact O-CB 3.31Å; L44-F48 WeakPolarHBondContact O-CB 3.36Å; L44-F48 PolarHBondContact O-N 3.44Å; F48-V51 PolarHBondContact O-N 3.47Å; F48-V52 HydrophobicContact CD1-CG2 4.12Å; F48-V52 HydrophobicContact CE1-CG2 3.72Å; F48-V52 HydrophobicContact CE2-CG2 4.24Å; F48-V52 HydrophobicContact CZ-CG2 3.78Å; F48-V52 WeakPolarHBondContact O-CB 3.47Å; F48-V52 VanDerWaalsContact O-CG2 3.26Å; F48-V52 WeakPolarHBondContact O-CG2 3.42Å; F48-V52 PolarHBondContact O-N 3.1Å; F48-F69 AromaticContact CD2-CE1 3.82Å; F48-F69 HydrophobicContact CD2-CE1 3.82Å; F48-F69 HydrophobicContact CD2-CZ 4.39Å; F48-F69 HydrophobicContact CE2-CE1 4.23Å; F48-A73 HydrophobicContact CD2-CB 4.25Å; F48-A73 HydrophobicContact CE2-CB 4.07Å; F48-L80 HydrophobicContact CB-CD2 4.21Å; F48-L80 HydrophobicContact CD1-CD2 4.36Å; F48-L80 HydrophobicContact CD2-CD1 3.86Å; F48-L80 HydrophobicContact CD2-CD2 4.06Å; F48-L80 HydrophobicContact CD2-CG 4.37Å; F48-L80 HydrophobicContact CE2-CB 4.3Å; F48-L80 HydrophobicContact CE2-CD1 4.3Å; F48-L80 HydrophobicContact CG-CD2 3.94Å; F48-R83 HydrophobicContact CD1-CB 4.11Å; F48-R83 HydrophobicContact CE1-CB 3.53Å; F48-R83 HydrophobicContact CZ-CB 4.31Å; F48-A84 HydrophobicContact CZ-CB 4Å |
| 49 | E | 89.9 | Confident | 88 | Confident | 47 Ų | 47 | 49 Ų | 49 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | -180 | -61.3 | -65.7 | 154.3 | 0 | 0 | 111.2 | F47 V51 V52 K53 R83 L921 | F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 3.31Å; E49-V51 VanDerWaalsContact C-N 3.35Å; E49-V51 PolarHBondContact O-N 3.05Å; E49-V52 CarbonylContact O-C 3.56Å; E49-V52 PolarHBondContact O-N 2.96Å; E49-V52 VanDerWaalsContact O-N 3.17Å; E49-K53 WeakPolarHBondContact O-CG 3.39Å; E49-K53 PolarHBondContact O-N 3.17Å; E49-R83 VanDerWaalsContact OE1-CD 3.29Å; E49-R83 WeakPolarHBondContact OE1-CD 3.25Å; E49-L921 HydrophobicContact CB-CD1 4Å; E49-L921 HydrophobicContact CB-CD2 3.79Å; E49-L921 HydrophobicContact CG-CD1 4.45Å; E49-L921 HydrophobicContact CG-CD2 3.96Å |
| 50 | E | 90.3 | Very high | 88.4 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 23% | 0.229 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.8 | -75.7 | 49.5 | -122.6 | 0 | 0 | 112.5 | I13 F47 K53 F54 | I13-E50 HydrophobicContact CD1-CB 4.05Å; F47-E50 HydrophobicContact CD1-CB 4.48Å; F47-E50 HydrophobicContact CD1-CG 4.38Å; F47-E50 PolarHBondContact O-N 3.4Å; E50-K53 VanDerWaalsContact OE1-CE 3.26Å; E50-K53 WeakPolarHBondContact OE1-CE 3.18Å; E50-K53 IonicContact OE1-NZ 2.65Å; E50-K53 PolarHBondContact OE1-NZ 3.25Å; E50-F54 WeakPolarHBondContact O-CD2 3.4Å; E50-F54 WeakPolarHBondContact O-CE2 3.45Å |
| 51 | V | 90.8 | Very high | 88.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.2 | -39.2 | 173 | 179.3 | 0 | 0 | 0 | 0 | 111 | L29 V32 L36 F47 F48 E49 K53 F54 F69 | L29-V51 HydrophobicContact CD2-CG1 4.41Å; V32-V51 HydrophobicContact CG1-CG2 3.58Å; L36-V51 HydrophobicContact CD1-CG2 3.96Å; F47-V51 PolarHBondContact O-N 3.48Å; F48-V51 PolarHBondContact O-N 3.47Å; E49-V51 VanDerWaalsContact C-N 3.35Å; E49-V51 PolarHBondContact O-N 3.05Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 3.39Å; V51-F54 WeakPolarHBondContact O-CB 3.3Å; V51-F54 PolarHBondContact O-N 3.43Å; V51-F69 HydrophobicContact CB-CD1 4Å; V51-F69 HydrophobicContact CB-CE1 3.64Å; V51-F69 HydrophobicContact CB-CE2 4.42Å; V51-F69 HydrophobicContact CB-CZ 3.87Å; V51-F69 HydrophobicContact CG1-CB 4.25Å; V51-F69 HydrophobicContact CG1-CD1 3.42Å; V51-F69 VanDerWaalsContact CG1-CD1 3.42Å; V51-F69 HydrophobicContact CG1-CD2 4.01Å; V51-F69 HydrophobicContact CG1-CE1 3.61Å; V51-F69 HydrophobicContact CG1-CE2 4.18Å; V51-F69 HydrophobicContact CG1-CG 3.62Å; V51-F69 HydrophobicContact CG1-CZ 3.99Å; V51-F69 HydrophobicContact CG2-CE1 4.28Å; V51-F69 HydrophobicContact CG2-CE2 4.28Å; V51-F69 HydrophobicContact CG2-CZ 3.98Å |
| 52 | V | 90.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.6 | -28.6 | 178.2 | 163.8 | 0 | 0 | 0 | 0 | 112.9 | F48 E49 F54 Q55 I70 S87 | F48-V52 HydrophobicContact CD1-CG2 4.12Å; F48-V52 HydrophobicContact CE1-CG2 3.72Å; F48-V52 HydrophobicContact CE2-CG2 4.24Å; F48-V52 HydrophobicContact CZ-CG2 3.78Å; F48-V52 WeakPolarHBondContact O-CB 3.47Å; F48-V52 VanDerWaalsContact O-CG2 3.26Å; F48-V52 WeakPolarHBondContact O-CG2 3.42Å; F48-V52 PolarHBondContact O-N 3.1Å; E49-V52 CarbonylContact O-C 3.56Å; E49-V52 PolarHBondContact O-N 2.96Å; E49-V52 VanDerWaalsContact O-N 3.17Å; V52-F54 PolarHBondContact O-N 3.06Å; V52-Q55 VanDerWaalsContact O-CB 3.25Å; V52-Q55 WeakPolarHBondContact O-CB 3.36Å; V52-Q55 WeakPolarHBondContact O-CG 3.26Å; V52-Q55 PolarHBondContact O-N 2.97Å; V52-I70 HydrophobicContact CG2-CD1 4.31Å; V52-I70 HydrophobicContact CG2-CG1 4.22Å; V52-S87 WeakPolarHBondContact CG1-OG 3.34Å |
| 53 | K | 90 | Very high | 89.5 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 23% | 0.226 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -51.1 | -30.7 | 172.3 | -75.3 | 168.9 | -148.4 | -175.5 | 0 | 112.7 | E49 E50 V51 Q55 H56 L921 | E49-K53 WeakPolarHBondContact O-CG 3.39Å; E49-K53 PolarHBondContact O-N 3.17Å; E50-K53 VanDerWaalsContact OE1-CE 3.26Å; E50-K53 WeakPolarHBondContact OE1-CE 3.18Å; E50-K53 IonicContact OE1-NZ 2.65Å; E50-K53 PolarHBondContact OE1-NZ 3.25Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 3.39Å; K53-Q55 PolarHBondContact O-N 2.89Å; K53-H56 PolarHBondContact O-CD2 3.25Å; K53-H56 VanDerWaalsContact O-CD2 3.32Å; K53-H56 PolarHBondContact O-N 3.49Å; K53-L921 WeakPolarHBondContact CE-O 3.35Å; K53-L921 PolarHBondContact NZ-O 3.17Å |
| 54 | F | 91.7 | Very high | 89.8 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -69.6 | -6.2 | 177.7 | -68.5 | -94.4 | 0 | 0 | 0 | 114.3 | I13 A16 L29 E50 V51 V52 H56 D57 V62 V66 | I13-F54 HydrophobicContact CG2-CE2 4.48Å; A16-F54 HydrophobicContact CB-CE1 3.91Å; A16-F54 HydrophobicContact CB-CZ 3.74Å; L29-F54 HydrophobicContact CD1-CB 4.07Å; L29-F54 HydrophobicContact CD1-CD1 3.89Å; L29-F54 HydrophobicContact CD1-CD2 4.43Å; L29-F54 HydrophobicContact CD1-CE1 4.45Å; L29-F54 HydrophobicContact CD1-CG 3.88Å; L29-F54 HydrophobicContact CD2-CD1 4.38Å; L29-F54 HydrophobicContact CD2-CD2 3.71Å; L29-F54 HydrophobicContact CD2-CE1 4.45Å; L29-F54 HydrophobicContact CD2-CE2 3.81Å; L29-F54 HydrophobicContact CD2-CG 4.01Å; L29-F54 HydrophobicContact CD2-CZ 4.19Å; E50-F54 WeakPolarHBondContact O-CD2 3.4Å; E50-F54 WeakPolarHBondContact O-CE2 3.45Å; V51-F54 WeakPolarHBondContact O-CB 3.3Å; V51-F54 PolarHBondContact O-N 3.43Å; V52-F54 PolarHBondContact O-N 3.06Å; F54-H56 PolarHBondContact O-N 3.41Å; F54-H56 VanDerWaalsContact O-N 3.13Å; F54-D57 VanDerWaalsContact O-CB 3.31Å; F54-D57 WeakPolarHBondContact O-CB 3.48Å; F54-D57 PolarHBondContact O-N 3.17Å; F54-D57 VanDerWaalsContact O-N 3.08Å; F54-V62 HydrophobicContact CB-CG1 3.97Å; F54-V62 HydrophobicContact CD1-CG1 4.33Å; F54-V66 HydrophobicContact CB-CG2 3.76Å |
| 55 | Q | 90 | Very high | 90.1 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -58.6 | -21.8 | 169.8 | 75.8 | -169.8 | -11.1 | 0 | 0 | 113.3 | V52 K53 V66 S87 Y90 L91 | V52-Q55 VanDerWaalsContact O-CB 3.25Å; V52-Q55 WeakPolarHBondContact O-CB 3.36Å; V52-Q55 WeakPolarHBondContact O-CG 3.26Å; V52-Q55 PolarHBondContact O-N 2.97Å; K53-Q55 PolarHBondContact O-N 2.89Å; Q55-V66 HydrophobicContact CB-CG1 4.29Å; Q55-S87 PolarHBondContact OE1-OG 2.8Å; Q55-Y90 HydrophobicContact CB-CD1 4.38Å; Q55-Y90 HydrophobicContact CB-CE1 4.42Å; Q55-Y90 HydrophobicContact CG-CD1 3.99Å; Q55-Y90 HydrophobicContact CG-CE1 3.99Å; Q55-L91 HydrophobicContact CB-CD1 4.44Å; Q55-L91 HydrophobicContact CB-CD2 4.12Å; Q55-L91 HydrophobicContact CB-CG 4.36Å |
| 56 | H | 89.8 | Confident | 90.4 | Very high | 55 Ų | 55 | 35.7 Ų | 35.7 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -88.9 | -5.6 | 178.7 | -55.4 | -61.1 | 0 | 0 | 0 | 113.9 | K53 F54 Y90 R918 | K53-H56 PolarHBondContact O-CD2 3.25Å; K53-H56 VanDerWaalsContact O-CD2 3.32Å; K53-H56 PolarHBondContact O-N 3.49Å; F54-H56 PolarHBondContact O-N 3.41Å; F54-H56 VanDerWaalsContact O-N 3.13Å; H56-Y90 AromaticContact CE1-CE1 3.92Å; H56-Y90 AromaticContact CE1-CE2 3.79Å; H56-Y90 AromaticContact CE1-CZ 3.58Å; H56-Y90 AromaticContact ND1-CE1 3.72Å; H56-Y90 AromaticContact ND1-CE2 3.9Å; H56-Y90 AromaticContact ND1-CZ 3.29Å; H56-Y90 VanDerWaalsContact ND1-CZ 3.29Å; H56-Y90 PolarHBondContact ND1-OH 2.84Å; H56-R918 PolarHBondContact CE1-O 3.39Å; H56-R918 PolarHBondContact NE2-O 3.39Å |
| 57 | D | 89.5 | Confident | 90.7 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | trans | -60.4 | 141.6 | 177.6 | -167.3 | -81.1 | 0 | 0 | 0 | 110.9 | K25 F54 N59 V62 K63 | K25-D57 WeakPolarHBondContact CD-OD2 3.25Å; K25-D57 WeakPolarHBondContact CE-OD2 3.16Å; K25-D57 IonicContact NZ-OD2 2.61Å; K25-D57 PolarHBondContact NZ-OD2 2.86Å; F54-D57 VanDerWaalsContact O-CB 3.31Å; F54-D57 WeakPolarHBondContact O-CB 3.48Å; F54-D57 PolarHBondContact O-N 3.17Å; F54-D57 VanDerWaalsContact O-N 3.08Å; D57-N59 PolarHBondContact O-N 3.4Å; D57-N59 VanDerWaalsContact OD1-CB 3.22Å; D57-N59 WeakPolarHBondContact OD1-CB 3.45Å; D57-N59 PolarHBondContact OD1-N 2.93Å; D57-V62 HydrophobicContact CB-CB 4.05Å; D57-V62 HydrophobicContact CB-CG1 3.63Å; D57-K63 WeakPolarHBondContact O-CE 3.31Å | ||
| 58 | P | 86.5 | Confident | 90.8 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 74% | 0.74 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -64.5 | -23.3 | 178.2 | 25 | -35 | 0 | 0 | 0 | 113.8 | ||
| 59 | N | 89.2 | Confident | 90.9 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | trans | -84.9 | 128.1 | -171.5 | -167.3 | -76.3 | 0 | 0 | 0 | 113.7 | A22 D57 E61 V62 K63 | A22-N59 HydrophobicContact CB-CB 3.88Å; A22-N59 VanDerWaalsContact CB-CG 3.47Å; A22-N59 WeakPolarHBondContact CB-ND2 3.31Å; D57-N59 PolarHBondContact O-N 3.4Å; D57-N59 VanDerWaalsContact OD1-CB 3.22Å; D57-N59 WeakPolarHBondContact OD1-CB 3.45Å; D57-N59 PolarHBondContact OD1-N 2.93Å; N59-E61 VanDerWaalsContact C-N 3.32Å; N59-E61 PolarHBondContact O-N 3.25Å; N59-E61 WeakPolarHBondContact OD1-CB 3.26Å; N59-E61 PolarHBondContact OD1-N 3.06Å; N59-V62 HydrophobicContact CB-CB 4.39Å; N59-V62 HydrophobicContact CB-CG2 4.02Å; N59-V62 PolarHBondContact O-N 3.32Å; N59-K63 PolarHBondContact O-N 3.47Å; N59-K63 VanDerWaalsContact O-N 3.16Å | ||
| 60 | T | 89.2 | Confident | 91 | Very high | 34 Ų | 34 | 29.1 Ų | 29.1 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -31.5 | -178.9 | -48.9 | 0 | 0 | 0 | 0 | 113.9 | K63 K64 L105 | T60-K63 PolarHBondContact O-N 3.16Å; T60-K64 WeakPolarHBondContact O-CG 3.15Å; T60-K64 PolarHBondContact O-N 3.17Å; T60-L105 HydrophobicContact CG2-CB 4.18Å |
| 61 | E | 89.9 | Confident | 91.1 | Very high | 96 Ų | 96 | 28.6 Ų | 28.6 | 45% | 0.449 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -74 | -31.9 | 177.8 | -54.9 | -46.6 | 114.7 | 0 | 0 | 112 | V26 N59 K64 A65 | V26-E61 HydrophobicContact CG2-CB 4.23Å; N59-E61 VanDerWaalsContact C-N 3.32Å; N59-E61 PolarHBondContact O-N 3.25Å; N59-E61 WeakPolarHBondContact OD1-CB 3.26Å; N59-E61 PolarHBondContact OD1-N 3.06Å; E61-K64 PolarHBondContact O-N 3.16Å; E61-K64 IonicContact OE1-NZ 3.73Å; E61-K64 PolarHBondContact OE1-NZ 3.37Å; E61-K64 WeakPolarHBondContact OE2-CD 3.4Å; E61-K64 IonicContact OE2-NZ 2.64Å; E61-K64 PolarHBondContact OE2-NZ 2.87Å; E61-A65 PolarHBondContact O-N 2.8Å |
| 62 | V | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 170.7 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | A22 K25 V26 L29 F54 D57 N59 K64 A65 V66 | A22-V62 HydrophobicContact CB-CG2 4.34Å; K25-V62 HydrophobicContact CB-CG2 4Å; K25-V62 HydrophobicContact CD-CG2 4.41Å; V26-V62 HydrophobicContact CG2-CG2 3.87Å; L29-V62 HydrophobicContact CD1-CG1 3.9Å; F54-V62 HydrophobicContact CB-CG1 3.97Å; F54-V62 HydrophobicContact CD1-CG1 4.33Å; D57-V62 HydrophobicContact CB-CB 4.05Å; D57-V62 HydrophobicContact CB-CG1 3.63Å; N59-V62 HydrophobicContact CB-CB 4.39Å; N59-V62 HydrophobicContact CB-CG2 4.02Å; N59-V62 PolarHBondContact O-N 3.32Å; V62-K64 PolarHBondContact O-N 2.72Å; V62-A65 WeakPolarHBondContact O-CB 3.15Å; V62-A65 PolarHBondContact O-N 2.88Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 3.48Å |
| 63 | K | 92.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 174.9 | -63.9 | -179 | -169.2 | 175.6 | 0 | 112.9 | D57 N59 T60 V66 I67 L91 L105 | D57-K63 WeakPolarHBondContact O-CE 3.31Å; N59-K63 PolarHBondContact O-N 3.47Å; N59-K63 VanDerWaalsContact O-N 3.16Å; T60-K63 PolarHBondContact O-N 3.16Å; K63-V66 PolarHBondContact O-N 2.95Å; K63-I67 WeakPolarHBondContact O-CG1 3.17Å; K63-I67 PolarHBondContact O-N 2.82Å; K63-L91 HydrophobicContact CB-CD2 4.12Å; K63-L91 HydrophobicContact CD-CD2 4.32Å; K63-L91 HydrophobicContact CG-CD2 4.23Å; K63-L105 HydrophobicContact CB-CD1 3.74Å; K63-L105 HydrophobicContact CB-CD2 4.2Å; K63-L105 HydrophobicContact CD-CD2 3.86Å |
| 64 | K | 92.8 | Very high | 91.1 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 173.5 | -73.7 | 167.2 | -177.3 | 162.7 | 0 | 112.2 | T60 E61 V62 V66 I67 G68 S104 L105 C108 | T60-K64 WeakPolarHBondContact O-CG 3.15Å; T60-K64 PolarHBondContact O-N 3.17Å; E61-K64 PolarHBondContact O-N 3.16Å; E61-K64 IonicContact OE1-NZ 3.73Å; E61-K64 PolarHBondContact OE1-NZ 3.37Å; E61-K64 WeakPolarHBondContact OE2-CD 3.4Å; E61-K64 IonicContact OE2-NZ 2.64Å; E61-K64 PolarHBondContact OE2-NZ 2.87Å; V62-K64 PolarHBondContact O-N 2.72Å; K64-V66 VanDerWaalsContact C-N 3.27Å; K64-V66 PolarHBondContact O-N 3.21Å; K64-I67 PolarHBondContact O-N 2.89Å; K64-G68 PolarHBondContact O-N 3.01Å; K64-S104 VanDerWaalsContact CE-O 3.31Å; K64-S104 WeakPolarHBondContact CE-O 3.28Å; K64-S104 WeakPolarHBondContact CE-OG 3.36Å; K64-S104 PolarHBondContact NZ-OG 2.84Å; K64-L105 HydrophobicContact CG-CD1 4.03Å; K64-C108 HydrophobicContact CG-CB 4.34Å |
| 65 | A | 91.9 | Very high | 91 | Very high | 19 Ų | 19 | 33.3 Ų | 33.3 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E61 V62 F69 | E61-A65 PolarHBondContact O-N 2.8Å; V62-A65 WeakPolarHBondContact O-CB 3.15Å; V62-A65 PolarHBondContact O-N 2.88Å; A65-F69 WeakPolarHBondContact O-CB 3.47Å; A65-F69 PolarHBondContact O-N 2.9Å |
| 66 | V | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 173.4 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | F54 Q55 V62 K63 K64 G68 F69 I70 L91 | F54-V66 HydrophobicContact CB-CG2 3.76Å; Q55-V66 HydrophobicContact CB-CG1 4.29Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 3.48Å; K63-V66 PolarHBondContact O-N 2.95Å; K64-V66 VanDerWaalsContact C-N 3.27Å; K64-V66 PolarHBondContact O-N 3.21Å; V66-G68 PolarHBondContact O-N 3.4Å; V66-F69 PolarHBondContact O-N 2.89Å; V66-I70 HydrophobicContact CG1-CD1 3.83Å; V66-I70 HydrophobicContact CG1-CG1 4.4Å; V66-I70 VanDerWaalsContact O-CG1 3.32Å; V66-I70 WeakPolarHBondContact O-CG1 3.49Å; V66-I70 PolarHBondContact O-N 3.15Å; V66-L91 HydrophobicContact CG1-CD1 4.44Å |
| 67 | I | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 172.5 | -66.9 | 173.6 | 0 | 0 | 0 | 110.6 | K63 K64 F69 I70 E71 L91 L105 C108 L109 A112 | K63-I67 WeakPolarHBondContact O-CG1 3.17Å; K63-I67 PolarHBondContact O-N 2.82Å; K64-I67 PolarHBondContact O-N 2.89Å; I67-F69 PolarHBondContact O-N 3.27Å; I67-I70 PolarHBondContact O-N 3.38Å; I67-I70 VanDerWaalsContact O-N 3.14Å; I67-E71 PolarHBondContact O-N 2.89Å; I67-L91 HydrophobicContact CG1-CD1 3.82Å; I67-L105 HydrophobicContact CD1-CD1 3.53Å; I67-L105 HydrophobicContact CD1-CG 4.24Å; I67-C108 HydrophobicContact CD1-CB 4.42Å; I67-L109 HydrophobicContact CD1-CB 4.11Å; I67-L109 HydrophobicContact CD1-CD1 4.41Å; I67-A112 HydrophobicContact CG2-CB 3.72Å |
| 68 | G | 91.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 22% | 0.216 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69 | -14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K33 K64 V66 | K33-G68 PolarHBondContact NZ-O 3.34Å; K64-G68 PolarHBondContact O-N 3.01Å; V66-G68 PolarHBondContact O-N 3.4Å |
| 69 | F | 93.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -82.7 | -44.7 | 166.5 | 171.6 | -97.5 | 0 | 0 | 0 | 110.9 | K33 L36 I37 L44 F48 V51 A65 V66 I67 E71 D72 A73 | K33-F69 HydrophobicContact CB-CD2 4.08Å; K33-F69 HydrophobicContact CG-CD2 4.13Å; L36-F69 HydrophobicContact CB-CE2 4.38Å; L36-F69 HydrophobicContact CD1-CE2 3.94Å; L36-F69 HydrophobicContact CD1-CZ 4.07Å; I37-F69 HydrophobicContact CD1-CD2 3.94Å; I37-F69 HydrophobicContact CD1-CE2 4.15Å; I37-F69 HydrophobicContact CG1-CE2 4.34Å; L44-F69 HydrophobicContact CD1-CE2 3.79Å; L44-F69 HydrophobicContact CD1-CZ 3.56Å; F48-F69 AromaticContact CD2-CE1 3.82Å; F48-F69 HydrophobicContact CD2-CE1 3.82Å; F48-F69 HydrophobicContact CD2-CZ 4.39Å; F48-F69 HydrophobicContact CE2-CE1 4.23Å; V51-F69 HydrophobicContact CB-CD1 4Å; V51-F69 HydrophobicContact CB-CE1 3.64Å; V51-F69 HydrophobicContact CB-CE2 4.42Å; V51-F69 HydrophobicContact CB-CZ 3.87Å; V51-F69 HydrophobicContact CG1-CB 4.25Å; V51-F69 HydrophobicContact CG1-CD1 3.42Å; V51-F69 VanDerWaalsContact CG1-CD1 3.42Å; V51-F69 HydrophobicContact CG1-CD2 4.01Å; V51-F69 HydrophobicContact CG1-CE1 3.61Å; V51-F69 HydrophobicContact CG1-CE2 4.18Å; V51-F69 HydrophobicContact CG1-CG 3.62Å; V51-F69 HydrophobicContact CG1-CZ 3.99Å; V51-F69 HydrophobicContact CG2-CE1 4.28Å; V51-F69 HydrophobicContact CG2-CE2 4.28Å; V51-F69 HydrophobicContact CG2-CZ 3.98Å; A65-F69 WeakPolarHBondContact O-CB 3.47Å; A65-F69 PolarHBondContact O-N 2.9Å; V66-F69 PolarHBondContact O-N 2.89Å; I67-F69 PolarHBondContact O-N 3.27Å; F69-E71 VanDerWaalsContact C-N 3.32Å; F69-E71 PolarHBondContact O-N 3.19Å; F69-D72 PolarHBondContact O-N 3.42Å; F69-A73 HydrophobicContact CE1-CB 4.5Å; F69-A73 WeakPolarHBondContact O-CB 3.48Å; F69-A73 PolarHBondContact O-N 2.83Å |
| 70 | I | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 177.9 | -71.6 | 166.4 | 0 | 0 | 0 | 111.2 | V52 V66 I67 C74 A84 L88 L91 | V52-I70 HydrophobicContact CG2-CD1 4.31Å; V52-I70 HydrophobicContact CG2-CG1 4.22Å; V66-I70 HydrophobicContact CG1-CD1 3.83Å; V66-I70 HydrophobicContact CG1-CG1 4.4Å; V66-I70 VanDerWaalsContact O-CG1 3.32Å; V66-I70 WeakPolarHBondContact O-CG1 3.49Å; V66-I70 PolarHBondContact O-N 3.15Å; I67-I70 PolarHBondContact O-N 3.38Å; I67-I70 VanDerWaalsContact O-N 3.14Å; I70-C74 WeakPolarHBondContact O-CB 3.07Å; I70-C74 PolarHBondContact O-N 3.24Å; I70-C74 PolarHBondContact O-SG 2.87Å; I70-A84 HydrophobicContact CG2-CB 3.68Å; I70-L88 HydrophobicContact CG2-CD1 4.17Å; I70-L88 HydrophobicContact CG2-CD2 3.98Å; I70-L88 HydrophobicContact CG2-CG 4.09Å; I70-L91 HydrophobicContact CD1-CD1 4.22Å |
| 71 | E | 92.8 | Very high | 89.9 | Confident | 37 Ų | 37 | 30.2 Ų | 30.2 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -55 | 177.9 | -167.6 | -167.5 | 141.1 | 0 | 0 | 111.5 | I67 F69 A73 C74 R75 A112 P115 | I67-E71 PolarHBondContact O-N 2.89Å; F69-E71 VanDerWaalsContact C-N 3.32Å; F69-E71 PolarHBondContact O-N 3.19Å; E71-A73 PolarHBondContact O-N 3.47Å; E71-C74 PolarHBondContact O-N 2.96Å; E71-R75 WeakPolarHBondContact O-CG 3.37Å; E71-R75 PolarHBondContact O-N 3.04Å; E71-R75 IonicContact OE1-CZ 3.88Å; E71-R75 VanDerWaalsContact OE1-CZ 3.24Å; E71-R75 IonicContact OE1-NE 2.69Å; E71-R75 PolarHBondContact OE1-NE 2.61Å; E71-R75 IonicContact OE1-NH2 3.81Å; E71-R75 PolarHBondContact OE1-NH2 2.81Å; E71-A112 HydrophobicContact CB-CB 4.26Å; E71-A112 HydrophobicContact CG-CB 4.23Å; E71-A112 WeakPolarHBondContact OE2-CB 3.43Å; E71-P115 HydrophobicContact CG-CG 3.97Å; E71-P115 WeakPolarHBondContact OE1-CG 3.3Å |
| 72 | D | 91.4 | Very high | 89.7 | Confident | 42 Ų | 42 | 29.6 Ų | 29.6 | 23% | 0.225 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.7 | -32.8 | -178 | -72.1 | -12.3 | 0 | 0 | 0 | 112.6 | K33 I37 F69 R75 V76 | K33-D72 WeakPolarHBondContact CE-OD2 3.49Å; K33-D72 IonicContact NZ-OD2 2.71Å; K33-D72 PolarHBondContact NZ-OD2 3.42Å; I37-D72 HydrophobicContact CD1-CB 3.59Å; I37-D72 HydrophobicContact CG2-CB 4.26Å; F69-D72 PolarHBondContact O-N 3.42Å; D72-R75 PolarHBondContact O-N 3.43Å; D72-R75 WeakPolarHBondContact OD1-CD 3.44Å; D72-R75 IonicContact OD1-NE 2.69Å; D72-V76 PolarHBondContact O-N 2.85Å |
| 73 | A | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L44 F48 F69 E71 R75 V76 D77 L80 | L44-A73 HydrophobicContact CD1-CB 4.2Å; L44-A73 HydrophobicContact CD2-CB 4.15Å; F48-A73 HydrophobicContact CD2-CB 4.25Å; F48-A73 HydrophobicContact CE2-CB 4.07Å; F69-A73 HydrophobicContact CE1-CB 4.5Å; F69-A73 WeakPolarHBondContact O-CB 3.48Å; F69-A73 PolarHBondContact O-N 2.83Å; E71-A73 PolarHBondContact O-N 3.47Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-V76 PolarHBondContact O-N 2.85Å; A73-D77 PolarHBondContact O-N 2.96Å; A73-L80 HydrophobicContact CB-CD1 4.07Å |
| 74 | C | 90 | Very high | 89.4 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.2 | -25.2 | 175.1 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | I70 E71 A84 | I70-C74 WeakPolarHBondContact O-CB 3.07Å; I70-C74 PolarHBondContact O-N 3.24Å; I70-C74 PolarHBondContact O-SG 2.87Å; E71-C74 PolarHBondContact O-N 2.96Å; C74-A84 VanDerWaalsContact SG-CB 3.54Å |
| 75 | R | 88.3 | Confident | 89.1 | Confident | 133 Ų | 133 | 32.2 Ų | 32.2 | 50% | 0.502 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -72.6 | -37.7 | 172.1 | -71.5 | 169.8 | 178.3 | -99.3 | 14.1 | 112 | E71 D72 A73 I119 | E71-R75 WeakPolarHBondContact O-CG 3.37Å; E71-R75 PolarHBondContact O-N 3.04Å; E71-R75 IonicContact OE1-CZ 3.88Å; E71-R75 VanDerWaalsContact OE1-CZ 3.24Å; E71-R75 IonicContact OE1-NE 2.69Å; E71-R75 PolarHBondContact OE1-NE 2.61Å; E71-R75 IonicContact OE1-NH2 3.81Å; E71-R75 PolarHBondContact OE1-NH2 2.81Å; D72-R75 PolarHBondContact O-N 3.43Å; D72-R75 WeakPolarHBondContact OD1-CD 3.44Å; D72-R75 IonicContact OD1-NE 2.69Å; A73-R75 VanDerWaalsContact C-N 3.33Å; R75-I119 HydrophobicContact CB-CD1 4.49Å; R75-I119 HydrophobicContact CG-CD1 3.96Å |
| 76 | V | 86.6 | Confident | 88.9 | Confident | 76 Ų | 76 | 33.7 Ų | 33.7 | 46% | 0.461 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -83.3 | -50.3 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | I37 C41 D72 A73 | I37-V76 HydrophobicContact CG2-CG2 4Å; C41-V76 HydrophobicContact CB-CG1 4.41Å; D72-V76 PolarHBondContact O-N 2.85Å; A73-V76 PolarHBondContact O-N 2.85Å |
| 77 | D | 84.4 | Confident | 88.7 | Confident | 63 Ų | 63 | 34.1 Ų | 34.1 | 34% | 0.337 | 19% | 0.188 | S | C | . | . | trans | -118.3 | 107.1 | 168.4 | 177.9 | 32.7 | 0 | 0 | 0 | 111.3 | A73 G79 L80 | A73-D77 PolarHBondContact O-N 2.96Å; D77-G79 VanDerWaalsContact CG-N 3.3Å; D77-G79 PolarHBondContact O-N 3.15Å; D77-G79 VanDerWaalsContact O-N 3.16Å; D77-G79 WeakPolarHBondContact OD1-CA 3.28Å; D77-G79 PolarHBondContact OD1-N 2.79Å; D77-G79 WeakPolarHBondContact OD2-CA 3.49Å; D77-G79 PolarHBondContact OD2-N 3.47Å; D77-L80 HydrophobicContact CB-CD1 4.12Å; D77-L80 HydrophobicContact CB-CG 4.17Å; D77-L80 PolarHBondContact O-N 3Å; D77-L80 WeakPolarHBondContact OD2-CG 3.28Å; D77-L80 PolarHBondContact OD2-N 2.84Å; D77-L80 VanDerWaalsContact OD2-N 3.14Å | ||
| 78 | T | 84 | Confident | 88.7 | Confident | 58 Ų | 58 | 34.1 Ų | 34.1 | 36% | 0.356 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -62.7 | -19.4 | 173.3 | 74.3 | 0 | 0 | 0 | 0 | 112.7 | L81 I119 R123 | T78-L81 WeakPolarHBondContact O-CB 3.19Å; T78-L81 PolarHBondContact O-N 2.99Å; T78-I119 HydrophobicContact CG2-CG2 3.68Å; T78-R123 PolarHBondContact O-NH1 2.72Å |
| 79 | G | 82.4 | Confident | 88.6 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 27% | 0.268 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -57 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | D77 L81 K82 | D77-G79 VanDerWaalsContact CG-N 3.3Å; D77-G79 PolarHBondContact O-N 3.15Å; D77-G79 VanDerWaalsContact O-N 3.16Å; D77-G79 WeakPolarHBondContact OD1-CA 3.28Å; D77-G79 PolarHBondContact OD1-N 2.79Å; D77-G79 WeakPolarHBondContact OD2-CA 3.49Å; D77-G79 PolarHBondContact OD2-N 3.47Å; G79-L81 PolarHBondContact O-N 3.47Å; G79-K82 PolarHBondContact O-N 3.24Å |
| 80 | L | 86.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -57.4 | -19 | 178.9 | -67.8 | 172.4 | 0 | 0 | 0 | 114.4 | L44 F48 A73 D77 K82 R83 A84 | L44-L80 HydrophobicContact CD2-CD1 3.52Å; L44-L80 HydrophobicContact CG-CD1 3.72Å; F48-L80 HydrophobicContact CB-CD2 4.21Å; F48-L80 HydrophobicContact CD1-CD2 4.36Å; F48-L80 HydrophobicContact CD2-CD1 3.86Å; F48-L80 HydrophobicContact CD2-CD2 4.06Å; F48-L80 HydrophobicContact CD2-CG 4.37Å; F48-L80 HydrophobicContact CE2-CB 4.3Å; F48-L80 HydrophobicContact CE2-CD1 4.3Å; F48-L80 HydrophobicContact CG-CD2 3.94Å; A73-L80 HydrophobicContact CB-CD1 4.07Å; D77-L80 HydrophobicContact CB-CD1 4.12Å; D77-L80 HydrophobicContact CB-CG 4.17Å; D77-L80 PolarHBondContact O-N 3Å; D77-L80 WeakPolarHBondContact OD2-CG 3.28Å; D77-L80 PolarHBondContact OD2-N 2.84Å; D77-L80 VanDerWaalsContact OD2-N 3.14Å; L80-K82 PolarHBondContact O-N 2.69Å; L80-R83 WeakPolarHBondContact O-CA 3.47Å; L80-R83 PolarHBondContact O-N 2.79Å; L80-A84 PolarHBondContact O-N 2.85Å |
| 81 | L | 87.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -49.1 | -36.4 | 175.5 | -174 | 65.2 | 0 | 0 | 0 | 112.5 | T78 G79 R83 A84 V85 I116 A120 T154 V158 | T78-L81 WeakPolarHBondContact O-CB 3.19Å; T78-L81 PolarHBondContact O-N 2.99Å; G79-L81 PolarHBondContact O-N 3.47Å; L81-R83 VanDerWaalsContact C-N 3.28Å; L81-R83 PolarHBondContact O-N 3.37Å; L81-A84 PolarHBondContact O-N 2.81Å; L81-V85 HydrophobicContact CD1-CG2 3.89Å; L81-V85 HydrophobicContact CG-CG2 4.15Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 3.46Å; L81-V85 VanDerWaalsContact O-N 3.09Å; L81-I116 HydrophobicContact CD1-CG2 3.72Å; L81-A120 HydrophobicContact CD2-CB 3.82Å; L81-T154 HydrophobicContact CG-CG2 4.46Å; L81-V158 HydrophobicContact CD1-CG2 4.16Å |
| 82 | K | 86.3 | Confident | 88.2 | Confident | 84 Ų | 84 | 35 Ų | 35 | 37% | 0.365 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.6 | -31.7 | 177.4 | -167.3 | -176.1 | -173 | 173.8 | 0 | 113.3 | G79 L80 I150 T154 | G79-K82 PolarHBondContact O-N 3.24Å; L80-K82 PolarHBondContact O-N 2.69Å; K82-I150 HydrophobicContact CD-CG2 3.87Å; K82-T154 HydrophobicContact CB-CG2 3.79Å; K82-T154 HydrophobicContact CG-CG2 4.13Å |
| 83 | R | 87.7 | Confident | 88 | Confident | 101 Ų | 101 | 33.7 Ų | 33.7 | 38% | 0.381 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -86 | -47 | 177 | -51.4 | -173.2 | -160.6 | 155 | 12.6 | 110.1 | D45 F48 E49 L80 L81 V85 G86 | D45-R83 PolarHBondContact O-NH1 3.12Å; D45-R83 IonicContact OD1-CZ 3.05Å; D45-R83 IonicContact OD1-NH1 2.69Å; D45-R83 PolarHBondContact OD1-NH1 3.38Å; D45-R83 IonicContact OD1-NH2 2.65Å; D45-R83 PolarHBondContact OD1-NH2 2.81Å; D45-R83 IonicContact OD2-NH2 3.81Å; F48-R83 HydrophobicContact CD1-CB 4.11Å; F48-R83 HydrophobicContact CE1-CB 3.53Å; F48-R83 HydrophobicContact CZ-CB 4.31Å; E49-R83 VanDerWaalsContact OE1-CD 3.29Å; E49-R83 WeakPolarHBondContact OE1-CD 3.25Å; L80-R83 WeakPolarHBondContact O-CA 3.47Å; L80-R83 PolarHBondContact O-N 2.79Å; L81-R83 VanDerWaalsContact C-N 3.28Å; L81-R83 PolarHBondContact O-N 3.37Å; R83-V85 VanDerWaalsContact C-N 3.35Å; R83-V85 PolarHBondContact O-N 2.89Å; R83-G86 PolarHBondContact O-N 2.86Å |
| 84 | A | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.8 | -39.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F48 I70 C74 L80 L81 G86 S87 L88 | F48-A84 HydrophobicContact CZ-CB 4Å; I70-A84 HydrophobicContact CG2-CB 3.68Å; C74-A84 VanDerWaalsContact SG-CB 3.54Å; L80-A84 PolarHBondContact O-N 2.85Å; L81-A84 PolarHBondContact O-N 2.81Å; A84-G86 VanDerWaalsContact C-N 3.29Å; A84-G86 PolarHBondContact O-N 3.13Å; A84-S87 WeakPolarHBondContact O-CA 3.47Å; A84-S87 WeakPolarHBondContact O-CB 3.49Å; A84-S87 PolarHBondContact O-N 2.81Å; A84-L88 WeakPolarHBondContact O-CG 3.47Å; A84-L88 PolarHBondContact O-N 3.49Å |
| 85 | V | 87.7 | Confident | 87.5 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -36 | -174.2 | 164.8 | 0 | 0 | 0 | 0 | 112.9 | L81 R83 S87 L88 F89 V158 | L81-V85 HydrophobicContact CD1-CG2 3.89Å; L81-V85 HydrophobicContact CG-CG2 4.15Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 3.46Å; L81-V85 VanDerWaalsContact O-N 3.09Å; R83-V85 VanDerWaalsContact C-N 3.35Å; R83-V85 PolarHBondContact O-N 2.89Å; V85-S87 VanDerWaalsContact C-N 3.35Å; V85-S87 PolarHBondContact O-N 3.17Å; V85-L88 PolarHBondContact O-N 2.81Å; V85-F89 HydrophobicContact CG1-CD2 3.85Å; V85-F89 HydrophobicContact CG1-CE2 3.9Å; V85-F89 WeakPolarHBondContact O-CD2 3.45Å; V85-F89 PolarHBondContact O-N 2.77Å; V85-V158 HydrophobicContact CG2-CG2 3.56Å |
| 86 | G | 87.5 | Confident | 87.3 | Confident | 49 Ų | 49 | 28.7 Ų | 28.7 | 51% | 0.505 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R83 A84 Y90 | R83-G86 PolarHBondContact O-N 2.86Å; A84-G86 VanDerWaalsContact C-N 3.29Å; A84-G86 PolarHBondContact O-N 3.13Å; G86-Y90 WeakPolarHBondContact O-CB 3.44Å; G86-Y90 PolarHBondContact O-N 2.92Å |
| 87 | S | 89.3 | Confident | 87 | Confident | 10 Ų | 10 | 30.5 Ų | 30.5 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | V52 Q55 A84 V85 Y90 L91 | V52-S87 WeakPolarHBondContact CG1-OG 3.34Å; Q55-S87 PolarHBondContact OE1-OG 2.8Å; A84-S87 WeakPolarHBondContact O-CA 3.47Å; A84-S87 WeakPolarHBondContact O-CB 3.49Å; A84-S87 PolarHBondContact O-N 2.81Å; V85-S87 VanDerWaalsContact C-N 3.35Å; V85-S87 PolarHBondContact O-N 3.17Å; S87-Y90 PolarHBondContact O-N 3.14Å; S87-L91 WeakPolarHBondContact O-CB 3.24Å; S87-L91 WeakPolarHBondContact O-CD1 3.38Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 3.38Å; S87-L91 PolarHBondContact O-N 3.48Å |
| 88 | L | 91.5 | Very high | 86.7 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 176.7 | -67.1 | 166.8 | 0 | 0 | 0 | 111.3 | I70 A84 V85 Y90 L91 F92 M113 I116 L161 | I70-L88 HydrophobicContact CG2-CD1 4.17Å; I70-L88 HydrophobicContact CG2-CD2 3.98Å; I70-L88 HydrophobicContact CG2-CG 4.09Å; A84-L88 WeakPolarHBondContact O-CG 3.47Å; A84-L88 PolarHBondContact O-N 3.49Å; V85-L88 PolarHBondContact O-N 2.81Å; L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 PolarHBondContact O-N 3.19Å; L88-L91 PolarHBondContact O-N 2.75Å; L88-F92 WeakPolarHBondContact O-CB 3.3Å; L88-F92 PolarHBondContact O-N 3.42Å; L88-M113 HydrophobicContact CD1-SD 4.11Å; L88-I116 HydrophobicContact CD1-CD1 3.86Å; L88-I116 HydrophobicContact CD1-CG2 4.43Å; L88-I116 HydrophobicContact CD2-CD1 4.46Å; L88-L161 HydrophobicContact CB-CD2 3.74Å |
| 89 | F | 90.5 | Very high | 86.1 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 23% | 0.232 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 171.3 | -86.9 | -69.8 | 0 | 0 | 0 | 112.6 | V85 S93 S157 L161 F180 | V85-F89 HydrophobicContact CG1-CD2 3.85Å; V85-F89 HydrophobicContact CG1-CE2 3.9Å; V85-F89 WeakPolarHBondContact O-CD2 3.45Å; V85-F89 PolarHBondContact O-N 2.77Å; F89-S93 WeakPolarHBondContact O-CB 3.31Å; F89-S93 PolarHBondContact O-N 2.8Å; F89-S157 VanDerWaalsContact CE2-O 3.27Å; F89-S157 WeakPolarHBondContact CE2-O 3.25Å; F89-S157 VanDerWaalsContact CZ-O 3.29Å; F89-S157 WeakPolarHBondContact CZ-O 3.4Å; F89-L161 HydrophobicContact CD1-CB 4.44Å; F89-L161 HydrophobicContact CD1-CD1 3.94Å; F89-L161 HydrophobicContact CE1-CB 3.85Å; F89-L161 HydrophobicContact CE1-CD1 3.99Å; F89-L161 HydrophobicContact CE1-CG 4.45Å; F89-L161 HydrophobicContact CE2-CB 4.11Å; F89-L161 HydrophobicContact CZ-CB 3.67Å; F89-F180 HydrophobicContact CD1-CE2 4.42Å; F89-F180 HydrophobicContact CD1-CZ 4.14Å |
| 90 | Y | 90.5 | Very high | 85.6 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 175.9 | 174.8 | -87 | 0 | 0 | 0 | 112.2 | Q55 H56 G86 S87 L88 T94 R974 | Q55-Y90 HydrophobicContact CB-CD1 4.38Å; Q55-Y90 HydrophobicContact CB-CE1 4.42Å; Q55-Y90 HydrophobicContact CG-CD1 3.99Å; Q55-Y90 HydrophobicContact CG-CE1 3.99Å; H56-Y90 AromaticContact CE1-CE1 3.92Å; H56-Y90 AromaticContact CE1-CE2 3.79Å; H56-Y90 AromaticContact CE1-CZ 3.58Å; H56-Y90 AromaticContact ND1-CE1 3.72Å; H56-Y90 AromaticContact ND1-CE2 3.9Å; H56-Y90 AromaticContact ND1-CZ 3.29Å; H56-Y90 VanDerWaalsContact ND1-CZ 3.29Å; H56-Y90 PolarHBondContact ND1-OH 2.84Å; G86-Y90 WeakPolarHBondContact O-CB 3.44Å; G86-Y90 PolarHBondContact O-N 2.92Å; S87-Y90 PolarHBondContact O-N 3.14Å; L88-Y90 VanDerWaalsContact C-N 3.35Å; L88-Y90 PolarHBondContact O-N 3.19Å; Y90-T94 WeakPolarHBondContact O-CB 3.44Å; Y90-T94 PolarHBondContact O-N 3.37Å; Y90-T94 PolarHBondContact O-OG1 3.05Å; Y90-R974 PolarHBondContact OH-NH1 3.49Å; Y90-R974 VanDerWaalsContact OH-NH1 3.13Å |
| 91 | L | 89.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -40 | -179.4 | -74.9 | 162.3 | 0 | 0 | 0 | 111.7 | Q55 K63 V66 I67 I70 S87 L88 T94 A95 L109 | Q55-L91 HydrophobicContact CB-CD1 4.44Å; Q55-L91 HydrophobicContact CB-CD2 4.12Å; Q55-L91 HydrophobicContact CB-CG 4.36Å; K63-L91 HydrophobicContact CB-CD2 4.12Å; K63-L91 HydrophobicContact CD-CD2 4.32Å; K63-L91 HydrophobicContact CG-CD2 4.23Å; V66-L91 HydrophobicContact CG1-CD1 4.44Å; I67-L91 HydrophobicContact CG1-CD1 3.82Å; I70-L91 HydrophobicContact CD1-CD1 4.22Å; S87-L91 WeakPolarHBondContact O-CB 3.24Å; S87-L91 WeakPolarHBondContact O-CD1 3.38Å; S87-L91 VanDerWaalsContact O-CG 3.28Å; S87-L91 WeakPolarHBondContact O-CG 3.38Å; S87-L91 PolarHBondContact O-N 3.48Å; L88-L91 PolarHBondContact O-N 2.75Å; L91-T94 PolarHBondContact O-N 2.7Å; L91-A95 VanDerWaalsContact O-CB 3.3Å; L91-A95 WeakPolarHBondContact O-CB 3.2Å; L91-A95 PolarHBondContact O-N 2.84Å; L91-L109 HydrophobicContact CB-CD1 4Å |
| 92 | F | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -52 | 171.6 | -178.8 | -105.7 | 0 | 0 | 0 | 111.1 | L88 T94 A95 I96 L106 L109 L161 E164 I165 L168 F180 | L88-F92 WeakPolarHBondContact O-CB 3.3Å; L88-F92 PolarHBondContact O-N 3.42Å; F92-T94 VanDerWaalsContact C-N 3.29Å; F92-T94 PolarHBondContact O-N 3.31Å; F92-A95 PolarHBondContact O-N 3.43Å; F92-A95 VanDerWaalsContact O-N 3.1Å; F92-I96 HydrophobicContact CD1-CD1 4.07Å; F92-I96 HydrophobicContact CD2-CD1 4.31Å; F92-I96 HydrophobicContact CE1-CD1 3.53Å; F92-I96 HydrophobicContact CE2-CD1 3.82Å; F92-I96 HydrophobicContact CG-CD1 4.44Å; F92-I96 HydrophobicContact CZ-CD1 3.42Å; F92-I96 VanDerWaalsContact CZ-CD1 3.42Å; F92-I96 WeakPolarHBondContact O-CG1 3.19Å; F92-I96 PolarHBondContact O-N 2.84Å; F92-I96 VanDerWaalsContact O-N 3.08Å; F92-L106 HydrophobicContact CD2-CD2 3.9Å; F92-L106 HydrophobicContact CE2-CD2 4.03Å; F92-L109 HydrophobicContact CB-CD1 3.76Å; F92-L109 HydrophobicContact CB-CD2 4.25Å; F92-L109 HydrophobicContact CD2-CD2 4.01Å; F92-L161 HydrophobicContact CB-CD1 3.99Å; F92-L161 HydrophobicContact CD1-CD1 3.93Å; F92-L161 HydrophobicContact CD2-CD1 4.35Å; F92-L161 HydrophobicContact CE1-CD1 4.47Å; F92-L161 HydrophobicContact CG-CD1 3.84Å; F92-E164 HydrophobicContact CE1-CB 3.67Å; F92-E164 HydrophobicContact CZ-CB 3.97Å; F92-I165 HydrophobicContact CD2-CG1 4.15Å; F92-I165 HydrophobicContact CE2-CG1 3.54Å; F92-I165 HydrophobicContact CZ-CG1 4.01Å; F92-L168 HydrophobicContact CE2-CD1 4.29Å; F92-L168 HydrophobicContact CZ-CD1 4.37Å; F92-F180 HydrophobicContact CD1-CD2 4.11Å; F92-F180 AromaticContact CD1-CE2 3.58Å; F92-F180 HydrophobicContact CD1-CE2 3.58Å; F92-F180 HydrophobicContact CD1-CZ 4.13Å; F92-F180 AromaticContact CE1-CD2 3.77Å; F92-F180 HydrophobicContact CE1-CD2 3.77Å; F92-F180 AromaticContact CE1-CE2 3.63Å; F92-F180 HydrophobicContact CE1-CE2 3.63Å |
| 93 | S | 87.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -42.5 | 176.1 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | F89 I96 Q97 | F89-S93 WeakPolarHBondContact O-CB 3.31Å; F89-S93 PolarHBondContact O-N 2.8Å; S93-I96 PolarHBondContact O-N 3.32Å; S93-Q97 VanDerWaalsContact O-CB 3.24Å; S93-Q97 WeakPolarHBondContact O-CB 3.47Å; S93-Q97 WeakPolarHBondContact O-CG 3.47Å; S93-Q97 PolarHBondContact O-N 2.88Å; S93-Q97 PolarHBondContact OG-NE2 3.26Å |
| 94 | T | 86.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 7% | 0.074 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.8 | -27.8 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | Y90 L91 F92 Q98 R974 | Y90-T94 WeakPolarHBondContact O-CB 3.44Å; Y90-T94 PolarHBondContact O-N 3.37Å; Y90-T94 PolarHBondContact O-OG1 3.05Å; L91-T94 PolarHBondContact O-N 2.7Å; F92-T94 VanDerWaalsContact C-N 3.29Å; F92-T94 PolarHBondContact O-N 3.31Å; T94-Q98 WeakPolarHBondContact O-CG 3.4Å; T94-Q98 PolarHBondContact O-OE1 3.15Å; T94-R974 PolarHBondContact OG1-NH2 3.46Å |
| 95 | A | 85.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.8 | -28.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L91 F92 S102 L105 L106 | L91-A95 VanDerWaalsContact O-CB 3.3Å; L91-A95 WeakPolarHBondContact O-CB 3.2Å; L91-A95 PolarHBondContact O-N 2.84Å; F92-A95 PolarHBondContact O-N 3.43Å; F92-A95 VanDerWaalsContact O-N 3.1Å; A95-S102 PolarHBondContact O-N 3.08Å; A95-L105 HydrophobicContact CB-CB 4.13Å; A95-L105 HydrophobicContact CB-CD2 3.84Å; A95-L105 HydrophobicContact CB-CG 4.05Å; A95-L106 HydrophobicContact CB-CD2 3.74Å; A95-L106 HydrophobicContact CB-CG 3.84Å |
| 96 | I | 82.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -85.6 | -33.9 | 175.5 | -62.9 | -176.7 | 0 | 0 | 0 | 112 | F92 S93 Q98 L106 Y183 | F92-I96 HydrophobicContact CD1-CD1 4.07Å; F92-I96 HydrophobicContact CD2-CD1 4.31Å; F92-I96 HydrophobicContact CE1-CD1 3.53Å; F92-I96 HydrophobicContact CE2-CD1 3.82Å; F92-I96 HydrophobicContact CG-CD1 4.44Å; F92-I96 HydrophobicContact CZ-CD1 3.42Å; F92-I96 VanDerWaalsContact CZ-CD1 3.42Å; F92-I96 WeakPolarHBondContact O-CG1 3.19Å; F92-I96 PolarHBondContact O-N 2.84Å; F92-I96 VanDerWaalsContact O-N 3.08Å; S93-I96 PolarHBondContact O-N 3.32Å; I96-Q98 PolarHBondContact O-N 3.29Å; I96-L106 HydrophobicContact CD1-CD2 4.4Å; I96-L106 HydrophobicContact CG1-CD1 4.38Å; I96-L106 HydrophobicContact CG1-CD2 3.85Å; I96-Y183 HydrophobicContact CG2-CD1 4.3Å; I96-Y183 HydrophobicContact CG2-CE1 3.33Å; I96-Y183 WeakPolarHBondContact CG2-OH 3.44Å |
| 97 | Q | 81.1 | Confident | 84.9 | Confident | 114 Ų | 114 | 40 Ų | 40 | 53% | 0.533 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -77.9 | 14.3 | 176 | -71.4 | 171.7 | -0.7 | 0 | 0 | 113.9 | S93 | S93-Q97 VanDerWaalsContact O-CB 3.24Å; S93-Q97 WeakPolarHBondContact O-CB 3.47Å; S93-Q97 WeakPolarHBondContact O-CG 3.47Å; S93-Q97 PolarHBondContact O-N 2.88Å; S93-Q97 PolarHBondContact OG-NE2 3.26Å |
| 98 | Q | 78.4 | Confident | 85 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 26% | 0.262 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -99.2 | 136.6 | 169.1 | -76.9 | 176.5 | -55.1 | 0 | 0 | 108.2 | T94 I96 P100 P101 | T94-Q98 WeakPolarHBondContact O-CG 3.4Å; T94-Q98 PolarHBondContact O-OE1 3.15Å; I96-Q98 PolarHBondContact O-N 3.29Å; Q98-P100 CarbonylContact C-O 3.06Å; Q98-P100 CarbonylContact O-C 3.53Å; Q98-P101 WeakPolarHBondContact O-CA 3.12Å |
| 99 | D | 71.8 | Confident | 85 | Confident | 162 Ų | 162 | 41.4 Ų | 41.4 | 87% | 0.866 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -110.9 | 114.6 | 173.2 | -76.1 | -56.5 | 0 | 0 | 0 | 109 | ||
| 100 | P | 70.6 | Confident | 84.9 | Confident | 115 Ų | 115 | 38.9 Ų | 38.9 | 75% | 0.747 | 21% | 0.209 | S | C | * | . | S | Bend | cis | -69.4 | 157.8 | -9.9 | 32 | -36.4 | 0 | 0 | 0 | 112.9 | Q98 | Q98-P100 CarbonylContact C-O 3.06Å; Q98-P100 CarbonylContact O-C 3.53Å |
| 101 | P | 77.5 | Confident | 84.9 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.143 | 22% | 0.218 | C | C | . | . | trans | -62.4 | 140 | -176.6 | 23 | -33.7 | 0 | 0 | 0 | 111.9 | Q98 V103 L106 | Q98-P101 WeakPolarHBondContact O-CA 3.12Å; P101-V103 VanDerWaalsContact C-N 3.33Å; P101-V103 PolarHBondContact O-N 3.48Å; P101-L106 HydrophobicContact CB-CD1 4.45Å | ||
| 102 | S | 83.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 12% | 0.119 | 22% | 0.219 | C | C | . | . | trans | -77.8 | 82.7 | -171.4 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | A95 S104 L105 L106 | A95-S102 PolarHBondContact O-N 3.08Å; S102-S104 PolarHBondContact O-N 2.59Å; S102-S104 VanDerWaalsContact O-N 3.1Å; S102-L105 PolarHBondContact O-N 2.55Å; S102-L105 WeakPolarHBondContact OG-CB 3.19Å; S102-L106 PolarHBondContact O-N 2.96Å | ||
| 103 | V | 84.4 | Confident | 85.2 | Confident | 49 Ų | 49 | 39.5 Ų | 39.5 | 30% | 0.297 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -45.1 | -43 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 112 | P101 L105 R107 N189 I192 | P101-V103 VanDerWaalsContact C-N 3.33Å; P101-V103 PolarHBondContact O-N 3.48Å; V103-L105 VanDerWaalsContact C-N 3.35Å; V103-L105 PolarHBondContact O-N 3.09Å; V103-R107 WeakPolarHBondContact O-CB 3.32Å; V103-R107 PolarHBondContact O-N 3.33Å; V103-N189 HydrophobicContact CG1-CB 4.09Å; V103-N189 HydrophobicContact CG2-CB 4.28Å; V103-I192 HydrophobicContact CB-CD1 4.3Å; V103-I192 HydrophobicContact CG1-CD1 4.08Å; V103-I192 HydrophobicContact CG1-CG1 3.97Å; V103-I192 HydrophobicContact CG2-CD1 4.19Å |
| 104 | S | 86.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -73.9 | -22.7 | -177.9 | 80.1 | 0 | 0 | 0 | 0 | 114.3 | K64 S102 C108 | K64-S104 VanDerWaalsContact CE-O 3.31Å; K64-S104 WeakPolarHBondContact CE-O 3.28Å; K64-S104 WeakPolarHBondContact CE-OG 3.36Å; K64-S104 PolarHBondContact NZ-OG 2.84Å; S102-S104 PolarHBondContact O-N 2.59Å; S102-S104 VanDerWaalsContact O-N 3.1Å; S104-C108 WeakPolarHBondContact O-CB 3.13Å |
| 105 | L | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87.9 | -41.1 | 174.9 | -168.5 | 63.8 | 0 | 0 | 0 | 110.8 | T60 K63 K64 I67 A95 S102 V103 C108 L109 | T60-L105 HydrophobicContact CG2-CB 4.18Å; K63-L105 HydrophobicContact CB-CD1 3.74Å; K63-L105 HydrophobicContact CB-CD2 4.2Å; K63-L105 HydrophobicContact CD-CD2 3.86Å; K64-L105 HydrophobicContact CG-CD1 4.03Å; I67-L105 HydrophobicContact CD1-CD1 3.53Å; I67-L105 HydrophobicContact CD1-CG 4.24Å; A95-L105 HydrophobicContact CB-CB 4.13Å; A95-L105 HydrophobicContact CB-CD2 3.84Å; A95-L105 HydrophobicContact CB-CG 4.05Å; S102-L105 PolarHBondContact O-N 2.55Å; S102-L105 WeakPolarHBondContact OG-CB 3.19Å; V103-L105 VanDerWaalsContact C-N 3.35Å; V103-L105 PolarHBondContact O-N 3.09Å; L105-C108 WeakPolarHBondContact O-CB 3.39Å; L105-C108 PolarHBondContact O-N 3.46Å; L105-L109 PolarHBondContact O-N 3.22Å |
| 106 | L | 88.8 | Confident | 86 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 172.6 | -74.5 | 174.5 | 0 | 0 | 0 | 111.9 | F92 A95 I96 P101 S102 C108 L109 T110 F188 I192 | F92-L106 HydrophobicContact CD2-CD2 3.9Å; F92-L106 HydrophobicContact CE2-CD2 4.03Å; A95-L106 HydrophobicContact CB-CD2 3.74Å; A95-L106 HydrophobicContact CB-CG 3.84Å; I96-L106 HydrophobicContact CD1-CD2 4.4Å; I96-L106 HydrophobicContact CG1-CD1 4.38Å; I96-L106 HydrophobicContact CG1-CD2 3.85Å; P101-L106 HydrophobicContact CB-CD1 4.45Å; S102-L106 PolarHBondContact O-N 2.96Å; L106-C108 VanDerWaalsContact C-N 3.27Å; L106-C108 PolarHBondContact O-N 3.16Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L106-T110 PolarHBondContact O-N 3.44Å; L106-T110 PolarHBondContact O-OG1 2.85Å; L106-F188 HydrophobicContact CD1-CD1 4.4Å; L106-F188 HydrophobicContact CD1-CE1 4.1Å; L106-I192 HydrophobicContact CB-CD1 4.22Å; L106-I192 HydrophobicContact CB-CG1 4.44Å; L106-I192 HydrophobicContact CD1-CD1 3.93Å |
| 107 | R | 89.6 | Confident | 86.5 | Confident | 129 Ų | 129 | 39.9 Ų | 39.9 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.7 | -39.4 | 176.7 | -170.7 | -169.9 | 70 | 172.3 | 2.9 | 112.1 | V103 A111 Q195 | V103-R107 WeakPolarHBondContact O-CB 3.32Å; V103-R107 PolarHBondContact O-N 3.33Å; R107-A111 WeakPolarHBondContact O-CB 3.32Å; R107-A111 PolarHBondContact O-N 3.01Å; R107-A111 VanDerWaalsContact O-N 3.08Å; R107-Q195 HydrophobicContact CG-CB 4.22Å; R107-Q195 HydrophobicContact CG-CG 4.19Å |
| 108 | C | 90.7 | Very high | 86.9 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 176.9 | -166 | 0 | 0 | 0 | 0 | 111.9 | K64 I67 S104 L105 L106 A112 | K64-C108 HydrophobicContact CG-CB 4.34Å; I67-C108 HydrophobicContact CD1-CB 4.42Å; S104-C108 WeakPolarHBondContact O-CB 3.13Å; L105-C108 WeakPolarHBondContact O-CB 3.39Å; L105-C108 PolarHBondContact O-N 3.46Å; L106-C108 VanDerWaalsContact C-N 3.27Å; L106-C108 PolarHBondContact O-N 3.16Å; C108-A112 WeakPolarHBondContact O-CB 3.2Å; C108-A112 PolarHBondContact O-N 2.94Å; C108-A112 VanDerWaalsContact O-N 3.11Å |
| 109 | L | 91.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -46.7 | 179 | -167.2 | 148.2 | 0 | 0 | 0 | 111.8 | I67 L91 F92 L105 L106 A111 A112 M113 I165 | I67-L109 HydrophobicContact CD1-CB 4.11Å; I67-L109 HydrophobicContact CD1-CD1 4.41Å; L91-L109 HydrophobicContact CB-CD1 4Å; F92-L109 HydrophobicContact CB-CD1 3.76Å; F92-L109 HydrophobicContact CB-CD2 4.25Å; F92-L109 HydrophobicContact CD2-CD2 4.01Å; L105-L109 PolarHBondContact O-N 3.22Å; L106-L109 PolarHBondContact O-N 3.39Å; L106-L109 VanDerWaalsContact O-N 3.11Å; L109-A111 VanDerWaalsContact C-N 3.27Å; L109-A111 PolarHBondContact O-N 2.89Å; L109-A112 PolarHBondContact O-N 3.25Å; L109-M113 HydrophobicContact CD2-CG 3.87Å; L109-M113 WeakPolarHBondContact O-CG 3.49Å; L109-M113 PolarHBondContact O-N 3.22Å; L109-I165 HydrophobicContact CD2-CD1 3.91Å |
| 110 | T | 89.4 | Confident | 88.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | L106 M113 I165 Q195 L199 | L106-T110 PolarHBondContact O-N 3.44Å; L106-T110 PolarHBondContact O-OG1 2.85Å; T110-M113 PolarHBondContact O-N 3.35Å; T110-I165 HydrophobicContact CG2-CG2 3.77Å; T110-Q195 HydrophobicContact CG2-CB 4.35Å; T110-Q195 HydrophobicContact CG2-CG 3.83Å; T110-Q195 WeakPolarHBondContact CG2-O 3.41Å; T110-L199 HydrophobicContact CG2-CB 4.27Å; T110-L199 HydrophobicContact CG2-CD2 4.23Å |
| 111 | A | 91.2 | Very high | 89.2 | Confident | 35 Ų | 35 | 22.7 Ų | 22.7 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.9 | -51.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R107 L109 M113 I114 P115 Q195 | R107-A111 WeakPolarHBondContact O-CB 3.32Å; R107-A111 PolarHBondContact O-N 3.01Å; R107-A111 VanDerWaalsContact O-N 3.08Å; L109-A111 VanDerWaalsContact C-N 3.27Å; L109-A111 PolarHBondContact O-N 2.89Å; A111-M113 PolarHBondContact O-N 3.17Å; A111-I114 PolarHBondContact O-N 3.38Å; A111-P115 WeakPolarHBondContact O-CD 3.2Å; A111-Q195 HydrophobicContact CB-CG 4.32Å |
| 112 | A | 92.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.3 | -27.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I67 E71 C108 L109 I114 P115 I116 | I67-A112 HydrophobicContact CG2-CB 3.72Å; E71-A112 HydrophobicContact CB-CB 4.26Å; E71-A112 HydrophobicContact CG-CB 4.23Å; E71-A112 WeakPolarHBondContact OE2-CB 3.43Å; C108-A112 WeakPolarHBondContact O-CB 3.2Å; C108-A112 PolarHBondContact O-N 2.94Å; C108-A112 VanDerWaalsContact O-N 3.11Å; L109-A112 PolarHBondContact O-N 3.25Å; A112-I114 VanDerWaalsContact C-N 3.3Å; A112-I114 PolarHBondContact O-N 2.69Å; A112-P115 VanDerWaalsContact O-CD 3.28Å; A112-P115 WeakPolarHBondContact O-CD 3.49Å; A112-P115 WeakPolarHBondContact O-CG 3.46Å; A112-I116 HydrophobicContact CB-CD1 4.47Å; A112-I116 WeakPolarHBondContact O-CB 3.41Å; A112-I116 WeakPolarHBondContact O-CD1 3.18Å; A112-I116 WeakPolarHBondContact O-CG1 3.12Å; A112-I116 PolarHBondContact O-N 3.04Å |
| 113 | M | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.7 | -22.6 | 177.1 | -76.1 | -49.3 | -51.9 | 0 | 0 | 114.3 | L88 L109 T110 A111 I116 Y117 V158 L161 I165 | L88-M113 HydrophobicContact CD1-SD 4.11Å; L109-M113 HydrophobicContact CD2-CG 3.87Å; L109-M113 WeakPolarHBondContact O-CG 3.49Å; L109-M113 PolarHBondContact O-N 3.22Å; T110-M113 PolarHBondContact O-N 3.35Å; A111-M113 PolarHBondContact O-N 3.17Å; M113-I116 HydrophobicContact CE-CB 4.21Å; M113-I116 HydrophobicContact CE-CG2 3.83Å; M113-I116 HydrophobicContact SD-CB 4.39Å; M113-I116 HydrophobicContact SD-CD1 4.41Å; M113-I116 HydrophobicContact SD-CG2 4.22Å; M113-Y117 VanDerWaalsContact O-CB 3.22Å; M113-Y117 WeakPolarHBondContact O-CB 3.5Å; M113-Y117 PolarHBondContact O-N 3.45Å; M113-V158 HydrophobicContact CE-CG1 3.88Å; M113-L161 HydrophobicContact CE-CD2 4.15Å; M113-L161 HydrophobicContact CG-CD2 4.35Å; M113-L161 HydrophobicContact SD-CD2 3.61Å; M113-L161 HydrophobicContact SD-CG 4.33Å; M113-I165 HydrophobicContact CB-CD1 4.31Å; M113-I165 HydrophobicContact CG-CD1 3.82Å |
| 114 | I | 91.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 21.6 Ų | 21.6 | 16% | 0.164 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.6 | -57.3 | 178 | -65.4 | 172.3 | 0 | 0 | 0 | 111.9 | A111 A112 Y117 R118 L199 C202 | A111-I114 PolarHBondContact O-N 3.38Å; A112-I114 VanDerWaalsContact C-N 3.3Å; A112-I114 PolarHBondContact O-N 2.69Å; I114-Y117 PolarHBondContact O-N 3.42Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 2.9Å; I114-L199 HydrophobicContact CG1-CB 4.24Å; I114-L199 HydrophobicContact CG1-CD1 3.79Å; I114-C202 HydrophobicContact CG2-CB 4.26Å |
| 115 | P | 90.8 | Very high | 89.8 | Confident | 17 Ų | 17 | 19.6 Ų | 19.6 | 11% | 0.11 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67 | -36.6 | 175.8 | 25.9 | -34.4 | 0 | 0 | 0 | 112.6 | E71 A111 A112 Y117 R118 I119 | E71-P115 HydrophobicContact CG-CG 3.97Å; E71-P115 WeakPolarHBondContact OE1-CG 3.3Å; A111-P115 WeakPolarHBondContact O-CD 3.2Å; A112-P115 VanDerWaalsContact O-CD 3.28Å; A112-P115 WeakPolarHBondContact O-CD 3.49Å; A112-P115 WeakPolarHBondContact O-CG 3.46Å; P115-Y117 VanDerWaalsContact C-N 3.3Å; P115-Y117 PolarHBondContact O-N 3.28Å; P115-R118 PolarHBondContact O-N 2.93Å; P115-I119 VanDerWaalsContact O-CG1 3.3Å; P115-I119 WeakPolarHBondContact O-CG1 3.37Å; P115-I119 PolarHBondContact O-N 3.13Å |
| 116 | I | 92.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 178.6 | -67.1 | 172.5 | 0 | 0 | 0 | 111.1 | L81 L88 A112 M113 A120 V158 | L81-I116 HydrophobicContact CD1-CG2 3.72Å; L88-I116 HydrophobicContact CD1-CD1 3.86Å; L88-I116 HydrophobicContact CD1-CG2 4.43Å; L88-I116 HydrophobicContact CD2-CD1 4.46Å; A112-I116 HydrophobicContact CB-CD1 4.47Å; A112-I116 WeakPolarHBondContact O-CB 3.41Å; A112-I116 WeakPolarHBondContact O-CD1 3.18Å; A112-I116 WeakPolarHBondContact O-CG1 3.12Å; A112-I116 PolarHBondContact O-N 3.04Å; M113-I116 HydrophobicContact CE-CB 4.21Å; M113-I116 HydrophobicContact CE-CG2 3.83Å; M113-I116 HydrophobicContact SD-CB 4.39Å; M113-I116 HydrophobicContact SD-CD1 4.41Å; M113-I116 HydrophobicContact SD-CG2 4.22Å; I116-A120 VanDerWaalsContact O-CB 3.26Å; I116-A120 WeakPolarHBondContact O-CB 3.18Å; I116-A120 PolarHBondContact O-N 3.35Å; I116-V158 HydrophobicContact CG2-CG2 4.36Å |
| 117 | Y | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -45.8 | 175.6 | -165.9 | -98 | 0 | 0 | 0 | 112.2 | M113 I114 P115 I119 A120 L121 F155 V158 K162 V203 L206 H207 | M113-Y117 VanDerWaalsContact O-CB 3.22Å; M113-Y117 WeakPolarHBondContact O-CB 3.5Å; M113-Y117 PolarHBondContact O-N 3.45Å; I114-Y117 PolarHBondContact O-N 3.42Å; P115-Y117 VanDerWaalsContact C-N 3.3Å; P115-Y117 PolarHBondContact O-N 3.28Å; Y117-I119 PolarHBondContact O-N 3.5Å; Y117-A120 PolarHBondContact O-N 3.28Å; Y117-L121 HydrophobicContact CE1-CD2 4.47Å; Y117-L121 WeakPolarHBondContact O-CB 3.28Å; Y117-L121 PolarHBondContact O-N 2.88Å; Y117-F155 AromaticContact CE2-CE2 3.93Å; Y117-F155 HydrophobicContact CE2-CE2 3.93Å; Y117-F155 AromaticContact CZ-CE2 3.8Å; Y117-F155 WeakPolarHBondContact OH-CZ 3.38Å; Y117-V158 HydrophobicContact CD2-CG1 3.66Å; Y117-V158 HydrophobicContact CE2-CG1 4.27Å; Y117-K162 HydrophobicContact CD2-CB 4.32Å; Y117-K162 HydrophobicContact CD2-CD 4.24Å; Y117-K162 HydrophobicContact CE1-CD 4.5Å; Y117-K162 HydrophobicContact CE2-CB 4.23Å; Y117-K162 HydrophobicContact CE2-CD 3.64Å; Y117-K162 WeakPolarHBondContact OH-CE 3.42Å; Y117-V203 HydrophobicContact CD1-CG2 4.16Å; Y117-V203 HydrophobicContact CE1-CG2 3.99Å; Y117-L206 HydrophobicContact CD1-CD1 3.83Å; Y117-L206 HydrophobicContact CE1-CD1 4.17Å; Y117-H207 AromaticContact CE1-NE2 3.66Å; Y117-H207 AromaticContact CZ-NE2 3.79Å; Y117-H207 PolarHBondContact OH-CE1 3.43Å; Y117-H207 VanDerWaalsContact OH-CE1 3.26Å; Y117-H207 PolarHBondContact OH-NE2 3.05Å |
| 118 | R | 91 | Very high | 88.7 | Confident | 47 Ų | 47 | 20 Ų | 20 | 18% | 0.177 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 175.3 | -67.7 | 169.7 | -177.8 | -83.6 | 12 | 111.6 | I114 P115 S122 C202 L206 D223 | I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 2.9Å; P115-R118 PolarHBondContact O-N 2.93Å; R118-S122 VanDerWaalsContact O-CB 3.32Å; R118-S122 WeakPolarHBondContact O-CB 3.46Å; R118-S122 PolarHBondContact O-N 3.14Å; R118-C202 PolarHBondContact NE-SG 3.09Å; R118-L206 HydrophobicContact CG-CD1 3.93Å; R118-L206 HydrophobicContact CG-CD2 4.45Å; R118-D223 IonicContact CZ-OD1 3.16Å; R118-D223 IonicContact CZ-OD2 2.79Å; R118-D223 IonicContact NH1-OD1 3.55Å; R118-D223 PolarHBondContact NH1-OD1 2.84Å; R118-D223 IonicContact NH1-OD2 3.5Å; R118-D223 PolarHBondContact NH1-OD2 2.98Å |
| 119 | I | 89.7 | Confident | 87.9 | Confident | 35 Ų | 35 | 18.4 Ų | 18.4 | 18% | 0.179 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 178.2 | -67 | 163.8 | 0 | 0 | 0 | 111 | R75 T78 P115 Y117 S122 R123 | R75-I119 HydrophobicContact CB-CD1 4.49Å; R75-I119 HydrophobicContact CG-CD1 3.96Å; T78-I119 HydrophobicContact CG2-CG2 3.68Å; P115-I119 VanDerWaalsContact O-CG1 3.3Å; P115-I119 WeakPolarHBondContact O-CG1 3.37Å; P115-I119 PolarHBondContact O-N 3.13Å; Y117-I119 PolarHBondContact O-N 3.5Å; I119-S122 PolarHBondContact O-N 3.38Å; I119-R123 VanDerWaalsContact O-CB 3.31Å; I119-R123 WeakPolarHBondContact O-CB 3.08Å; I119-R123 PolarHBondContact O-N 3.17Å |
| 120 | A | 89.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L81 I116 Y117 R123 A124 F155 V158 | L81-A120 HydrophobicContact CD2-CB 3.82Å; I116-A120 VanDerWaalsContact O-CB 3.26Å; I116-A120 WeakPolarHBondContact O-CB 3.18Å; I116-A120 PolarHBondContact O-N 3.35Å; Y117-A120 PolarHBondContact O-N 3.28Å; A120-R123 PolarHBondContact O-N 3Å; A120-A124 WeakPolarHBondContact O-CB 3.3Å; A120-A124 PolarHBondContact O-N 3.41Å; A120-F155 HydrophobicContact CB-CD2 4.11Å; A120-V158 HydrophobicContact CB-CB 4.04Å; A120-V158 HydrophobicContact CB-CG1 3.78Å; A120-V158 HydrophobicContact CB-CG2 4.04Å |
| 121 | L | 89.6 | Confident | 86.7 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 177.3 | -177.6 | 63.5 | 0 | 0 | 0 | 111.2 | Y117 R123 A124 I125 F155 L206 | Y117-L121 HydrophobicContact CE1-CD2 4.47Å; Y117-L121 WeakPolarHBondContact O-CB 3.28Å; Y117-L121 PolarHBondContact O-N 2.88Å; L121-R123 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-N 3.19Å; L121-A124 PolarHBondContact O-N 2.91Å; L121-I125 HydrophobicContact CD1-CD1 3.64Å; L121-I125 HydrophobicContact CG-CD1 3.93Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 3.3Å; L121-I125 VanDerWaalsContact O-N 3.09Å; L121-F155 HydrophobicContact CB-CD2 4.24Å; L121-F155 HydrophobicContact CB-CE2 3.87Å; L121-F155 HydrophobicContact CD1-CD2 4.4Å; L121-F155 HydrophobicContact CD1-CE2 3.64Å; L121-F155 HydrophobicContact CD1-CZ 3.71Å; L121-F155 HydrophobicContact CG-CE2 4.34Å; L121-L206 HydrophobicContact CD2-CB 3.95Å; L121-L206 HydrophobicContact CD2-CD1 4.16Å; L121-L206 HydrophobicContact CD2-CD2 4.47Å; L121-L206 HydrophobicContact CD2-CG 4.43Å |
| 122 | S | 87.2 | Confident | 85.7 | Confident | 27 Ų | 27 | 27.6 Ų | 27.6 | 19% | 0.189 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.2 | -162.5 | 0 | 0 | 0 | 0 | 111.7 | R118 I119 I125 K126 | R118-S122 VanDerWaalsContact O-CB 3.32Å; R118-S122 WeakPolarHBondContact O-CB 3.46Å; R118-S122 PolarHBondContact O-N 3.14Å; I119-S122 PolarHBondContact O-N 3.38Å; S122-I125 PolarHBondContact O-N 2.91Å; S122-K126 WeakPolarHBondContact O-CB 3.5Å; S122-K126 WeakPolarHBondContact O-CG 3.42Å; S122-K126 PolarHBondContact O-N 3.5Å |
| 123 | R | 86.4 | Confident | 84.3 | Confident | 39 Ų | 39 | 29.6 Ų | 29.6 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.1 | -171 | 178.6 | -178.5 | -163.6 | -2.9 | 112.4 | T78 I119 A120 L121 I125 V127 A151 | T78-R123 PolarHBondContact O-NH1 2.72Å; I119-R123 VanDerWaalsContact O-CB 3.31Å; I119-R123 WeakPolarHBondContact O-CB 3.08Å; I119-R123 PolarHBondContact O-N 3.17Å; A120-R123 PolarHBondContact O-N 3Å; L121-R123 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-N 3.19Å; R123-I125 VanDerWaalsContact C-N 3.27Å; R123-I125 PolarHBondContact O-N 3.12Å; R123-V127 HydrophobicContact CG-CB 4.41Å; R123-V127 HydrophobicContact CG-CG2 3.98Å; R123-V127 WeakPolarHBondContact O-CA 3.13Å; R123-V127 VanDerWaalsContact O-CB 3.3Å; R123-V127 WeakPolarHBondContact O-CB 3.14Å; R123-V127 PolarHBondContact O-N 2.89Å; R123-A151 HydrophobicContact CG-CB 4.25Å |
| 124 | A | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A120 L121 G128 I129 L152 F155 | A120-A124 WeakPolarHBondContact O-CB 3.3Å; A120-A124 PolarHBondContact O-N 3.41Å; L121-A124 PolarHBondContact O-N 2.91Å; A124-G128 CarbonylContact O-C 3.54Å; A124-G128 WeakPolarHBondContact O-CA 3.34Å; A124-G128 PolarHBondContact O-N 3.45Å; A124-G128 VanDerWaalsContact O-N 3.13Å; A124-I129 PolarHBondContact O-N 3.47Å; A124-L152 HydrophobicContact CB-CD2 4.37Å; A124-F155 HydrophobicContact CB-CB 3.52Å; A124-F155 HydrophobicContact CB-CD1 4.32Å; A124-F155 HydrophobicContact CB-CD2 4.45Å; A124-F155 HydrophobicContact CB-CG 3.84Å |
| 125 | I | 84.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -87.7 | -46.6 | -179.8 | -65.8 | 162.1 | 0 | 0 | 0 | 110.8 | L121 S122 R123 I129 I130 L224 I229 V259 | L121-I125 HydrophobicContact CD1-CD1 3.64Å; L121-I125 HydrophobicContact CG-CD1 3.93Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 3.3Å; L121-I125 VanDerWaalsContact O-N 3.09Å; S122-I125 PolarHBondContact O-N 2.91Å; R123-I125 VanDerWaalsContact C-N 3.27Å; R123-I125 PolarHBondContact O-N 3.12Å; I125-I129 HydrophobicContact CG1-CD1 4.32Å; I125-I129 WeakPolarHBondContact O-CB 3.48Å; I125-I129 PolarHBondContact O-N 3.09Å; I125-I129 VanDerWaalsContact O-N 3.17Å; I125-I130 HydrophobicContact CG2-CD1 4.16Å; I125-I130 WeakPolarHBondContact O-CG1 3.15Å; I125-I130 PolarHBondContact O-N 3.29Å; I125-L224 HydrophobicContact CB-CD2 3.92Å; I125-L224 HydrophobicContact CD1-CD2 3.27Å; I125-L224 HydrophobicContact CG1-CD2 4.16Å; I125-L224 HydrophobicContact CG2-CD2 3.73Å; I125-I229 HydrophobicContact CD1-CD1 3.56Å; I125-I229 HydrophobicContact CD1-CG1 3.89Å; I125-I229 HydrophobicContact CD1-CG2 4.34Å; I125-V259 HydrophobicContact CD1-CG1 3.77Å; I125-V259 HydrophobicContact CG1-CG1 3.38Å |
| 126 | K | 84.5 | Confident | 79 | Confident | 107 Ų | 107 | 37.6 Ų | 37.6 | 47% | 0.465 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -62.1 | -65.5 | 174.3 | -65.5 | 177.3 | -177.9 | 179.7 | 0 | 110.7 | S122 I130 D131 | S122-K126 WeakPolarHBondContact O-CB 3.5Å; S122-K126 WeakPolarHBondContact O-CG 3.42Å; S122-K126 PolarHBondContact O-N 3.5Å; K126-I130 WeakPolarHBondContact O-CB 3.42Å; K126-I130 PolarHBondContact O-N 3.43Å; K126-D131 PolarHBondContact O-N 2.99Å |
| 127 | V | 82.8 | Confident | 77 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -77.1 | -30.8 | -173.5 | -169.3 | 0 | 0 | 0 | 0 | 112.9 | R123 D131 A148 A151 | R123-V127 HydrophobicContact CG-CB 4.41Å; R123-V127 HydrophobicContact CG-CG2 3.98Å; R123-V127 WeakPolarHBondContact O-CA 3.13Å; R123-V127 VanDerWaalsContact O-CB 3.3Å; R123-V127 WeakPolarHBondContact O-CB 3.14Å; R123-V127 PolarHBondContact O-N 2.89Å; V127-D131 VanDerWaalsContact CA-OD2 3.31Å; V127-D131 WeakPolarHBondContact CA-OD2 3.41Å; V127-D131 PolarHBondContact N-OD2 3.43Å; V127-A148 WeakPolarHBondContact O-CA 3.44Å; V127-A148 WeakPolarHBondContact O-CB 3.35Å; V127-A151 HydrophobicContact CB-CB 3.97Å; V127-A151 HydrophobicContact CG1-CB 4.24Å |
| 128 | G | 77 | Confident | 74.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -86.7 | -28.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A124 S132 | A124-G128 CarbonylContact O-C 3.54Å; A124-G128 WeakPolarHBondContact O-CA 3.34Å; A124-G128 PolarHBondContact O-N 3.45Å; A124-G128 VanDerWaalsContact O-N 3.13Å; G128-S132 VanDerWaalsContact C-OG 3.3Å; G128-S132 WeakPolarHBondContact O-CB 3.25Å; G128-S132 PolarHBondContact O-OG 3.12Å |
| 129 | I | 75.1 | Confident | 73.1 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -123.2 | -38.4 | -172.3 | -56 | 176.7 | 0 | 0 | 0 | 112.8 | A124 I125 S132 P230 V259 | A124-I129 PolarHBondContact O-N 3.47Å; I125-I129 HydrophobicContact CG1-CD1 4.32Å; I125-I129 WeakPolarHBondContact O-CB 3.48Å; I125-I129 PolarHBondContact O-N 3.09Å; I125-I129 VanDerWaalsContact O-N 3.17Å; I129-S132 WeakPolarHBondContact CA-OG 3.13Å; I129-S132 PolarHBondContact N-OG 3.2Å; I129-S132 PolarHBondContact O-OG 2.93Å; I129-P230 HydrophobicContact CG2-CB 4.22Å; I129-P230 HydrophobicContact CG2-CG 4.06Å; I129-V259 HydrophobicContact CD1-CB 3.92Å; I129-V259 HydrophobicContact CD1-CG1 3.66Å |
| 130 | I | 77.4 | Confident | 71.5 | Confident | 82 Ų | 82 | 49.6 Ų | 49.6 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -87 | -59.8 | -176.6 | -61.8 | 169.2 | 0 | 0 | 0 | 110.2 | I125 K126 S132 G133 P230 | I125-I130 HydrophobicContact CG2-CD1 4.16Å; I125-I130 WeakPolarHBondContact O-CG1 3.15Å; I125-I130 PolarHBondContact O-N 3.29Å; K126-I130 WeakPolarHBondContact O-CB 3.42Å; K126-I130 PolarHBondContact O-N 3.43Å; I130-S132 PolarHBondContact O-N 3.01Å; I130-S132 VanDerWaalsContact O-N 3.16Å; I130-G133 PolarHBondContact O-N 2.96Å; I130-P230 HydrophobicContact CG1-CG 4.29Å |
| 131 | D | 78.6 | Confident | 70.3 | Confident | 113 Ų | 113 | 50 Ų | 50 | 60% | 0.604 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.5 | -177.5 | -53.6 | -25.5 | 0 | 0 | 0 | 112.7 | K126 V127 G133 | K126-D131 PolarHBondContact O-N 2.99Å; V127-D131 VanDerWaalsContact CA-OD2 3.31Å; V127-D131 WeakPolarHBondContact CA-OD2 3.41Å; V127-D131 PolarHBondContact N-OD2 3.43Å; D131-G133 VanDerWaalsContact C-N 3.32Å; D131-G133 PolarHBondContact O-N 3.48Å |
| 132 | S | 68.4 | Low | 69.4 | Low | 36 Ų | 36 | 50.1 Ų | 50.1 | 25% | 0.252 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.2 | -176.8 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | G128 I129 I130 V134 | G128-S132 VanDerWaalsContact C-OG 3.3Å; G128-S132 WeakPolarHBondContact O-CB 3.25Å; G128-S132 PolarHBondContact O-OG 3.12Å; I129-S132 WeakPolarHBondContact CA-OG 3.13Å; I129-S132 PolarHBondContact N-OG 3.2Å; I129-S132 PolarHBondContact O-OG 2.93Å; I130-S132 PolarHBondContact O-N 3.01Å; I130-S132 VanDerWaalsContact O-N 3.16Å; S132-V134 PolarHBondContact O-N 3.49Å; S132-V134 VanDerWaalsContact O-N 3.1Å; S132-V134 WeakPolarHBondContact OG-CB 3.21Å; S132-V134 WeakPolarHBondContact OG-CG2 3.06Å |
| 133 | G | 62.7 | Low | 68.6 | Low | 43 Ų | 43 | 53.7 Ų | 53.7 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | trans | 71.4 | -3.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I130 D131 S135 M136 | I130-G133 PolarHBondContact O-N 2.96Å; D131-G133 VanDerWaalsContact C-N 3.32Å; D131-G133 PolarHBondContact O-N 3.48Å; G133-S135 PolarHBondContact O-N 2.91Å; G133-M136 PolarHBondContact O-N 3.34Å | ||
| 134 | V | 58.1 | Low | 67.8 | Low | 18 Ų | 18 | 53.2 Ų | 53.2 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -18.1 | -174.2 | 166.3 | 0 | 0 | 0 | 0 | 114 | S132 I142 L232 I240 | S132-V134 PolarHBondContact O-N 3.49Å; S132-V134 VanDerWaalsContact O-N 3.1Å; S132-V134 WeakPolarHBondContact OG-CB 3.21Å; S132-V134 WeakPolarHBondContact OG-CG2 3.06Å; V134-I142 HydrophobicContact CG2-CG1 4.18Å; V134-L232 HydrophobicContact CG1-CD1 4.28Å; V134-I240 HydrophobicContact CG1-CD1 3.38Å; V134-I240 HydrophobicContact CG1-CG1 3.94Å; V134-I240 HydrophobicContact CG1-CG2 4.33Å |
| 135 | S | 53.4 | Low | 67.2 | Low | 41 Ų | 41 | 56 Ų | 56 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -20.3 | -177.3 | 51.6 | 0 | 0 | 0 | 0 | 115.9 | G133 | G133-S135 PolarHBondContact O-N 2.91Š|
| 136 | M | 51.7 | Low | 67 | Low | 159 Ų | 159 | 57.4 Ų | 57.4 | 78% | 0.783 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -43.9 | -157.2 | -69.9 | -57.7 | -66.1 | 0 | 0 | 117 | G133 | G133-M136 PolarHBondContact O-N 3.34Š|
| 137 | S | 50.8 | Low | 66.8 | Low | 112 Ų | 112 | 56.8 Ų | 56.8 | 78% | 0.783 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -169.8 | 152.7 | 169.3 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 138 | G | 49.5 | Very low | 66.7 | Low | 72 Ų | 72 | 55.4 Ų | 55.4 | 74% | 0.742 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 70.6 | 68.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | C140 | G138-C140 PolarHBondContact O-N 3.41Š|
| 139 | G | 52.3 | Low | 66.9 | Low | 67 Ų | 67 | 55.3 Ų | 55.3 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | trans | 61.3 | 8.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | G141 A243 | G139-G141 PolarHBondContact O-N 2.92Å; G139-A243 WeakPolarHBondContact O-CB 3.33Å | ||
| 140 | C | 57.8 | Low | 67.2 | Low | 86 Ų | 86 | 56.7 Ų | 56.7 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | trans | -85.5 | 112.2 | 178.1 | -159 | 0 | 0 | 0 | 0 | 110 | G138 | G138-C140 PolarHBondContact O-N 3.41Š| ||
| 141 | G | 62.8 | Low | 67.5 | Low | 8 Ų | 8 | 52.8 Ų | 52.8 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | trans | -83.7 | 170 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G139 I143 | G139-G141 PolarHBondContact O-N 2.92Å; G141-I143 PolarHBondContact O-N 3.41Å; G141-I143 VanDerWaalsContact O-N 3.09Å | ||
| 142 | I | 71.7 | Confident | 67.8 | Low | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | trans | -68.9 | 111.2 | 178.4 | -56.2 | -173.6 | 0 | 0 | 0 | 108.8 | V134 D149 L152 I240 S244 T245 A246 V256 | V134-I142 HydrophobicContact CG2-CG1 4.18Å; I142-D149 HydrophobicContact CG2-CB 3.78Å; I142-L152 HydrophobicContact CD1-CD1 3.49Å; I142-L152 VanDerWaalsContact CD1-CD1 3.49Å; I142-I240 HydrophobicContact CG1-CG2 4.28Å; I142-S244 PolarHBondContact N-OG 3.47Å; I142-S244 WeakPolarHBondContact O-CA 3.42Å; I142-T245 PolarHBondContact O-N 2.9Å; I142-T245 VanDerWaalsContact O-N 3.08Å; I142-A246 HydrophobicContact CB-CB 4.32Å; I142-A246 HydrophobicContact CG2-CB 3.91Å; I142-A246 WeakPolarHBondContact O-CB 3.5Å; I142-A246 PolarHBondContact O-N 2.83Å; I142-A246 VanDerWaalsContact O-N 3.15Å; I142-V256 HydrophobicContact CD1-CG2 3.45Å; I142-V256 VanDerWaalsContact CD1-CG2 3.45Å | ||
| 143 | I | 70.3 | Confident | 68.4 | Low | 103 Ų | 103 | 46.4 Ų | 46.4 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | trans | -69.8 | 131.1 | 176.3 | -47.9 | 178.1 | 0 | 0 | 0 | 108.3 | G141 N145 S146 T245 | G141-I143 PolarHBondContact O-N 3.41Å; G141-I143 VanDerWaalsContact O-N 3.09Å; I143-N145 PolarHBondContact O-N 2.91Å; I143-S146 VanDerWaalsContact O-CB 3.25Å; I143-S146 WeakPolarHBondContact O-CB 2.84Å; I143-S146 PolarHBondContact O-N 2.93Å; I143-S146 PolarHBondContact O-OG 3.03Å; I143-T245 WeakPolarHBondContact CA-OG1 3.36Å | ||
| 144 | A | 68.9 | Low | 69.5 | Low | 28 Ų | 28 | 44.5 Ų | 44.5 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 132.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S146 D149 T245 T932 | A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 2.76Å; A144-D149 WeakPolarHBondContact CA-OD2 3.44Å; A144-T245 PolarHBondContact N-OG1 3.28Å; A144-T932 HydrophobicContact CB-CG2 3.82Å |
| 145 | N | 72.6 | Confident | 70.9 | Confident | 58 Ų | 58 | 43.9 Ų | 43.9 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | -2 | -172 | -69.9 | -63.7 | 0 | 0 | 0 | 117.9 | I143 D149 G931 T932 | I143-N145 PolarHBondContact O-N 2.91Å; N145-D149 PolarHBondContact N-OD2 3.45Å; N145-G931 PolarHBondContact ND2-O 2.95Å; N145-G931 WeakPolarHBondContact OD1-CA 3.48Å; N145-G931 PolarHBondContact OD1-O 2.89Å; N145-T932 PolarHBondContact ND2-OG1 2.99Å; N145-T932 WeakPolarHBondContact OD1-CA 3.28Å; N145-T932 PolarHBondContact OD1-N 3Å |
| 146 | S | 80.4 | Confident | 72.5 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | trans | -56.4 | 152.4 | 171.7 | 58.3 | 0 | 0 | 0 | 0 | 111.3 | I143 A144 A148 D149 I150 | I143-S146 VanDerWaalsContact O-CB 3.25Å; I143-S146 WeakPolarHBondContact O-CB 2.84Å; I143-S146 PolarHBondContact O-N 2.93Å; I143-S146 PolarHBondContact O-OG 3.03Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 2.76Å; S146-A148 PolarHBondContact O-N 2.84Å; S146-D149 WeakPolarHBondContact O-CB 3.25Å; S146-D149 PolarHBondContact O-N 3.3Å; S146-D149 VanDerWaalsContact O-N 3.14Å; S146-D149 VanDerWaalsContact OG-CB 3.28Å; S146-D149 WeakPolarHBondContact OG-CB 3.29Å; S146-D149 PolarHBondContact OG-N 3.26Å; S146-I150 WeakPolarHBondContact O-CG1 3.31Å; S146-I150 PolarHBondContact O-N 3Å | ||
| 147 | T | 81.1 | Confident | 74.1 | Confident | 94 Ų | 94 | 38 Ų | 38 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.3 | -32.7 | 170.6 | 45.9 | 0 | 0 | 0 | 0 | 111.3 | A151 | T147-A151 WeakPolarHBondContact O-CB 3.48Å; T147-A151 PolarHBondContact O-N 3.18Å |
| 148 | A | 80.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -50.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V127 S146 I150 A151 L152 | V127-A148 WeakPolarHBondContact O-CA 3.44Å; V127-A148 WeakPolarHBondContact O-CB 3.35Å; S146-A148 PolarHBondContact O-N 2.84Å; A148-I150 VanDerWaalsContact C-N 3.28Å; A148-I150 PolarHBondContact O-N 3.48Å; A148-A151 PolarHBondContact O-N 2.93Å; A148-A151 VanDerWaalsContact O-N 3.16Å; A148-L152 WeakPolarHBondContact O-CG 3.4Å; A148-L152 PolarHBondContact O-N 2.69Å |
| 149 | D | 80.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.7 | -49.2 | 172.3 | -179.5 | 29.1 | 0 | 0 | 0 | 110.2 | I142 A144 N145 S146 A151 L152 E153 A246 S248 T933 | I142-D149 HydrophobicContact CG2-CB 3.78Å; A144-D149 WeakPolarHBondContact CA-OD2 3.44Å; N145-D149 PolarHBondContact N-OD2 3.45Å; S146-D149 WeakPolarHBondContact O-CB 3.25Å; S146-D149 PolarHBondContact O-N 3.3Å; S146-D149 VanDerWaalsContact O-N 3.14Å; S146-D149 VanDerWaalsContact OG-CB 3.28Å; S146-D149 WeakPolarHBondContact OG-CB 3.29Å; S146-D149 PolarHBondContact OG-N 3.26Å; D149-A151 PolarHBondContact O-N 3.15Å; D149-L152 PolarHBondContact O-N 2.91Å; D149-E153 WeakPolarHBondContact O-CB 3.46Å; D149-E153 PolarHBondContact O-N 3.45Å; D149-A246 HydrophobicContact CB-CB 4.21Å; D149-A246 WeakPolarHBondContact OD1-CB 3.31Å; D149-S248 VanDerWaalsContact OD1-CB 3.28Å; D149-S248 WeakPolarHBondContact OD1-CB 3.32Å; D149-S248 PolarHBondContact OD1-OG 3.14Å; D149-T933 WeakPolarHBondContact OD1-CG2 3.5Å; D149-T933 WeakPolarHBondContact OD2-CG2 3.37Å |
| 150 | I | 81.5 | Confident | 79.4 | Confident | 32 Ų | 32 | 27.7 Ų | 27.7 | 16% | 0.164 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.8 | -67.3 | 173.5 | 0 | 0 | 0 | 112.5 | K82 S146 A148 E153 T154 | K82-I150 HydrophobicContact CD-CG2 3.87Å; S146-I150 WeakPolarHBondContact O-CG1 3.31Å; S146-I150 PolarHBondContact O-N 3Å; A148-I150 VanDerWaalsContact C-N 3.28Å; A148-I150 PolarHBondContact O-N 3.48Å; I150-E153 WeakPolarHBondContact O-CB 3.42Å; I150-T154 WeakPolarHBondContact O-CG2 3.4Å; I150-T154 PolarHBondContact O-N 3.28Å; I150-T154 PolarHBondContact O-OG1 2.69Å |
| 151 | A | 83.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R123 V127 T147 A148 D149 T154 F155 | R123-A151 HydrophobicContact CG-CB 4.25Å; V127-A151 HydrophobicContact CB-CB 3.97Å; V127-A151 HydrophobicContact CG1-CB 4.24Å; T147-A151 WeakPolarHBondContact O-CB 3.48Å; T147-A151 PolarHBondContact O-N 3.18Å; A148-A151 PolarHBondContact O-N 2.93Å; A148-A151 VanDerWaalsContact O-N 3.16Å; D149-A151 PolarHBondContact O-N 3.15Å; A151-T154 PolarHBondContact O-N 3.49Å; A151-T154 PolarHBondContact O-OG1 2.92Å; A151-F155 PolarHBondContact O-N 3.47Å |
| 152 | L | 84.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 177.8 | -65.5 | 165.7 | 0 | 0 | 0 | 112.5 | A124 I142 A148 D149 R156 V256 V259 | A124-L152 HydrophobicContact CB-CD2 4.37Å; I142-L152 HydrophobicContact CD1-CD1 3.49Å; I142-L152 VanDerWaalsContact CD1-CD1 3.49Å; A148-L152 WeakPolarHBondContact O-CG 3.4Å; A148-L152 PolarHBondContact O-N 2.69Å; D149-L152 PolarHBondContact O-N 2.91Å; L152-R156 WeakPolarHBondContact O-CB 3.45Å; L152-R156 PolarHBondContact O-N 3.45Å; L152-V256 HydrophobicContact CD1-CG2 3.92Å; L152-V259 HydrophobicContact CD2-CG2 3.93Å |
| 153 | E | 81.4 | Confident | 82.9 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.7 | -56.9 | 167.1 | 150.4 | 72.9 | 104.6 | 0 | 0 | 111.1 | D149 I150 F155 R156 S157 T933 D934 L935 | D149-E153 WeakPolarHBondContact O-CB 3.46Å; D149-E153 PolarHBondContact O-N 3.45Å; I150-E153 WeakPolarHBondContact O-CB 3.42Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-F155 PolarHBondContact O-N 2.86Å; E153-R156 PolarHBondContact O-N 3.43Å; E153-S157 PolarHBondContact O-N 3.4Å; E153-S157 PolarHBondContact O-OG 3.43Å; E153-S157 PolarHBondContact OE2-OG 3.45Å; E153-T933 HydrophobicContact CB-CG2 4.18Å; E153-T933 HydrophobicContact CG-CG2 4.37Å; E153-T933 WeakPolarHBondContact OE1-CA 3.38Å; E153-D934 PolarHBondContact OE1-N 3.03Å; E153-L935 HydrophobicContact CB-CD1 4.34Å; E153-L935 WeakPolarHBondContact OE1-CB 3.43Å; E153-L935 PolarHBondContact OE1-N 3.05Å; E153-L935 WeakPolarHBondContact OE2-CA 3.5Å; E153-L935 VanDerWaalsContact OE2-CB 3.28Å; E153-L935 WeakPolarHBondContact OE2-CB 3.47Å; E153-L935 WeakPolarHBondContact OE2-CD2 3.44Å |
| 154 | T | 84.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | -179.6 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | L81 K82 I150 A151 S157 V158 | L81-T154 HydrophobicContact CG-CG2 4.46Å; K82-T154 HydrophobicContact CB-CG2 3.79Å; K82-T154 HydrophobicContact CG-CG2 4.13Å; I150-T154 WeakPolarHBondContact O-CG2 3.4Å; I150-T154 PolarHBondContact O-N 3.28Å; I150-T154 PolarHBondContact O-OG1 2.69Å; A151-T154 PolarHBondContact O-N 3.49Å; A151-T154 PolarHBondContact O-OG1 2.92Å; T154-S157 PolarHBondContact O-N 2.91Å; T154-V158 WeakPolarHBondContact O-CB 3.24Å; T154-V158 VanDerWaalsContact O-CG2 3.31Å; T154-V158 WeakPolarHBondContact O-CG2 3.34Å; T154-V158 PolarHBondContact O-N 2.85Å |
| 155 | F | 88.9 | Confident | 84.3 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.1 | -43 | 177.6 | 175.3 | -100.7 | 0 | 0 | 0 | 113.3 | Y117 A120 L121 A124 A151 E153 S157 V158 A159 L258 V259 | Y117-F155 AromaticContact CE2-CE2 3.93Å; Y117-F155 HydrophobicContact CE2-CE2 3.93Å; Y117-F155 AromaticContact CZ-CE2 3.8Å; Y117-F155 WeakPolarHBondContact OH-CZ 3.38Å; A120-F155 HydrophobicContact CB-CD2 4.11Å; L121-F155 HydrophobicContact CB-CD2 4.24Å; L121-F155 HydrophobicContact CB-CE2 3.87Å; L121-F155 HydrophobicContact CD1-CD2 4.4Å; L121-F155 HydrophobicContact CD1-CE2 3.64Å; L121-F155 HydrophobicContact CD1-CZ 3.71Å; L121-F155 HydrophobicContact CG-CE2 4.34Å; A124-F155 HydrophobicContact CB-CB 3.52Å; A124-F155 HydrophobicContact CB-CD1 4.32Å; A124-F155 HydrophobicContact CB-CD2 4.45Å; A124-F155 HydrophobicContact CB-CG 3.84Å; A151-F155 PolarHBondContact O-N 3.47Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-F155 PolarHBondContact O-N 2.86Å; F155-S157 VanDerWaalsContact C-N 3.25Å; F155-S157 PolarHBondContact O-N 2.87Å; F155-V158 PolarHBondContact O-N 3.4Å; F155-A159 HydrophobicContact CE1-CB 4.5Å; F155-A159 HydrophobicContact CZ-CB 4.47Å; F155-A159 VanDerWaalsContact O-CB 3.29Å; F155-A159 WeakPolarHBondContact O-CB 3.37Å; F155-A159 PolarHBondContact O-N 3.45Å; F155-L258 HydrophobicContact CE1-CB 4.44Å; F155-V259 HydrophobicContact CD1-CG2 3.71Å; F155-V259 HydrophobicContact CE1-CG2 3.74Å |
| 156 | R | 86 | Confident | 84.9 | Confident | 51 Ų | 51 | 17.3 Ų | 17.3 | 19% | 0.192 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 175.7 | 176.9 | 171 | 152 | -161.7 | -11.6 | 111.2 | L152 E153 G160 T251 L253 L258 L935 | L152-R156 WeakPolarHBondContact O-CB 3.45Å; L152-R156 PolarHBondContact O-N 3.45Å; E153-R156 PolarHBondContact O-N 3.43Å; R156-G160 PolarHBondContact O-N 3.32Å; R156-T251 PolarHBondContact NH1-OG1 2.96Å; R156-L253 PolarHBondContact NH1-O 3.22Å; R156-L258 HydrophobicContact CB-CD1 3.74Å; R156-L258 HydrophobicContact CG-CD1 3.46Å; R156-L258 VanDerWaalsContact CG-CD1 3.46Å; R156-L935 HydrophobicContact CB-CD1 4.24Å; R156-L935 HydrophobicContact CB-CD2 3.83Å; R156-L935 HydrophobicContact CG-CD1 4.37Å; R156-L935 HydrophobicContact CG-CD2 3.75Å; R156-L935 HydrophobicContact CG-CG 4.43Å |
| 157 | S | 85.3 | Confident | 84.9 | Confident | 26 Ų | 26 | 17.8 Ų | 17.8 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 174.1 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | F89 E153 T154 F155 G160 L161 L935 | F89-S157 VanDerWaalsContact CE2-O 3.27Å; F89-S157 WeakPolarHBondContact CE2-O 3.25Å; F89-S157 VanDerWaalsContact CZ-O 3.29Å; F89-S157 WeakPolarHBondContact CZ-O 3.4Å; E153-S157 PolarHBondContact O-N 3.4Å; E153-S157 PolarHBondContact O-OG 3.43Å; E153-S157 PolarHBondContact OE2-OG 3.45Å; T154-S157 PolarHBondContact O-N 2.91Å; F155-S157 VanDerWaalsContact C-N 3.25Å; F155-S157 PolarHBondContact O-N 2.87Å; S157-G160 PolarHBondContact O-N 3.28Å; S157-L161 PolarHBondContact O-N 3.35Å; S157-L935 WeakPolarHBondContact OG-CD2 3.37Å |
| 158 | V | 89.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 173.5 | 163 | 0 | 0 | 0 | 0 | 112.5 | L81 V85 M113 I116 Y117 A120 T154 F155 L161 K162 | L81-V158 HydrophobicContact CD1-CG2 4.16Å; V85-V158 HydrophobicContact CG2-CG2 3.56Å; M113-V158 HydrophobicContact CE-CG1 3.88Å; I116-V158 HydrophobicContact CG2-CG2 4.36Å; Y117-V158 HydrophobicContact CD2-CG1 3.66Å; Y117-V158 HydrophobicContact CE2-CG1 4.27Å; A120-V158 HydrophobicContact CB-CB 4.04Å; A120-V158 HydrophobicContact CB-CG1 3.78Å; A120-V158 HydrophobicContact CB-CG2 4.04Å; T154-V158 WeakPolarHBondContact O-CB 3.24Å; T154-V158 VanDerWaalsContact O-CG2 3.31Å; T154-V158 WeakPolarHBondContact O-CG2 3.34Å; T154-V158 PolarHBondContact O-N 2.85Å; F155-V158 PolarHBondContact O-N 3.4Å; V158-L161 PolarHBondContact O-N 2.95Å; V158-K162 PolarHBondContact O-N 2.83Å |
| 159 | A | 88 | Confident | 83.9 | Confident | 8 Ų | 8 | 14.1 Ų | 14.1 | 7% | 0.066 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F155 L161 K162 D163 | F155-A159 HydrophobicContact CE1-CB 4.5Å; F155-A159 HydrophobicContact CZ-CB 4.47Å; F155-A159 VanDerWaalsContact O-CB 3.29Å; F155-A159 WeakPolarHBondContact O-CB 3.37Å; F155-A159 PolarHBondContact O-N 3.45Å; A159-L161 VanDerWaalsContact C-N 3.32Å; A159-L161 PolarHBondContact O-N 2.82Å; A159-K162 WeakPolarHBondContact O-CB 3.3Å; A159-K162 PolarHBondContact O-N 2.86Å; A159-D163 VanDerWaalsContact O-CG 3.26Å; A159-D163 PolarHBondContact O-N 3.22Å |
| 160 | G | 86.3 | Confident | 83.5 | Confident | 25 Ų | 25 | 14.5 Ų | 14.5 | 26% | 0.258 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -61 | -37.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R156 S157 D163 E164 | R156-G160 PolarHBondContact O-N 3.32Å; S157-G160 PolarHBondContact O-N 3.28Å; G160-D163 PolarHBondContact O-N 3.27Å; G160-E164 WeakPolarHBondContact O-CG 3.28Å; G160-E164 PolarHBondContact O-N 2.83Å; G160-E164 VanDerWaalsContact O-N 3.13Å |
| 161 | L | 87.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.1 | -37.8 | 175.2 | -175.8 | 54.6 | 0 | 0 | 0 | 112.1 | L88 F89 F92 M113 S157 V158 A159 D163 E164 I165 | L88-L161 HydrophobicContact CB-CD2 3.74Å; F89-L161 HydrophobicContact CD1-CB 4.44Å; F89-L161 HydrophobicContact CD1-CD1 3.94Å; F89-L161 HydrophobicContact CE1-CB 3.85Å; F89-L161 HydrophobicContact CE1-CD1 3.99Å; F89-L161 HydrophobicContact CE1-CG 4.45Å; F89-L161 HydrophobicContact CE2-CB 4.11Å; F89-L161 HydrophobicContact CZ-CB 3.67Å; F92-L161 HydrophobicContact CB-CD1 3.99Å; F92-L161 HydrophobicContact CD1-CD1 3.93Å; F92-L161 HydrophobicContact CD2-CD1 4.35Å; F92-L161 HydrophobicContact CE1-CD1 4.47Å; F92-L161 HydrophobicContact CG-CD1 3.84Å; M113-L161 HydrophobicContact CE-CD2 4.15Å; M113-L161 HydrophobicContact CG-CD2 4.35Å; M113-L161 HydrophobicContact SD-CD2 3.61Å; M113-L161 HydrophobicContact SD-CG 4.33Å; S157-L161 PolarHBondContact O-N 3.35Å; V158-L161 PolarHBondContact O-N 2.95Å; A159-L161 VanDerWaalsContact C-N 3.32Å; A159-L161 PolarHBondContact O-N 2.82Å; L161-D163 VanDerWaalsContact C-N 3.34Å; L161-E164 PolarHBondContact O-N 3.44Å; L161-I165 HydrophobicContact CD1-CD1 4.36Å; L161-I165 HydrophobicContact CG-CD1 4.2Å; L161-I165 WeakPolarHBondContact O-CD1 3.42Å; L161-I165 VanDerWaalsContact O-CG1 3.31Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 2.78Å; L161-I165 VanDerWaalsContact O-N 3.15Å |
| 162 | K | 90.4 | Very high | 81.5 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.6 | -48.7 | 168.1 | 165.2 | -169.7 | 60.4 | 68.4 | 0 | 110.7 | Y117 V158 A159 E164 I165 V166 V203 E267 | Y117-K162 HydrophobicContact CD2-CB 4.32Å; Y117-K162 HydrophobicContact CD2-CD 4.24Å; Y117-K162 HydrophobicContact CE1-CD 4.5Å; Y117-K162 HydrophobicContact CE2-CB 4.23Å; Y117-K162 HydrophobicContact CE2-CD 3.64Å; Y117-K162 WeakPolarHBondContact OH-CE 3.42Å; V158-K162 PolarHBondContact O-N 2.83Å; A159-K162 WeakPolarHBondContact O-CB 3.3Å; A159-K162 PolarHBondContact O-N 2.86Å; K162-E164 VanDerWaalsContact C-N 3.34Å; K162-E164 PolarHBondContact O-N 3.5Å; K162-I165 PolarHBondContact O-N 3.17Å; K162-I165 VanDerWaalsContact O-N 3.09Å; K162-V166 HydrophobicContact CG-CG2 4.01Å; K162-V166 WeakPolarHBondContact O-CG2 3.32Å; K162-V166 PolarHBondContact O-N 2.78Å; K162-V203 HydrophobicContact CD-CB 4.49Å; K162-V203 HydrophobicContact CD-CG1 4.13Å; K162-V203 HydrophobicContact CD-CG2 3.54Å; K162-V203 HydrophobicContact CG-CG2 4.34Å; K162-E267 WeakPolarHBondContact CE-OE1 3.48Å; K162-E267 IonicContact NZ-OE1 2.96Å; K162-E267 PolarHBondContact NZ-OE1 3.28Å |
| 163 | D | 88.1 | Confident | 80.5 | Confident | 53 Ų | 53 | 20.9 Ų | 20.9 | 28% | 0.283 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | -176.5 | -69.8 | -19.7 | 0 | 0 | 0 | 112.2 | A159 G160 L161 I165 V166 R167 V174 | A159-D163 VanDerWaalsContact O-CG 3.26Å; A159-D163 PolarHBondContact O-N 3.22Å; G160-D163 PolarHBondContact O-N 3.27Å; L161-D163 VanDerWaalsContact C-N 3.34Å; D163-I165 VanDerWaalsContact C-N 3.34Å; D163-I165 PolarHBondContact O-N 2.94Å; D163-V166 PolarHBondContact O-N 2.86Å; D163-R167 VanDerWaalsContact O-CB 3.29Å; D163-R167 WeakPolarHBondContact O-CB 3.48Å; D163-R167 PolarHBondContact O-N 3.17Å; D163-V174 HydrophobicContact CB-CG1 3.77Å |
| 164 | E | 84.5 | Confident | 79.5 | Confident | 11 Ų | 11 | 20.9 Ų | 20.9 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -34.8 | 173.6 | -65.5 | -60.7 | 147.1 | 0 | 0 | 113 | F92 G160 L161 K162 R167 L168 S178 V179 F180 | F92-E164 HydrophobicContact CE1-CB 3.67Å; F92-E164 HydrophobicContact CZ-CB 3.97Å; G160-E164 WeakPolarHBondContact O-CG 3.28Å; G160-E164 PolarHBondContact O-N 2.83Å; G160-E164 VanDerWaalsContact O-N 3.13Å; L161-E164 PolarHBondContact O-N 3.44Å; K162-E164 VanDerWaalsContact C-N 3.34Å; K162-E164 PolarHBondContact O-N 3.5Å; E164-R167 IonicContact OE1-CZ 3.45Å; E164-R167 IonicContact OE1-NH1 3.38Å; E164-R167 PolarHBondContact OE1-NH1 3.18Å; E164-R167 IonicContact OE2-NH1 3.96Å; E164-R167 PolarHBondContact OE2-NH1 2.79Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-S178 WeakPolarHBondContact OE1-CA 3.31Å; E164-S178 WeakPolarHBondContact OE2-CB 3.43Å; E164-S178 PolarHBondContact OE2-OG 2.75Å; E164-V179 PolarHBondContact OE1-N 2.77Å; E164-F180 HydrophobicContact CB-CD2 4.39Å; E164-F180 HydrophobicContact CB-CE2 4.35Å; E164-F180 HydrophobicContact CG-CD2 4Å; E164-F180 HydrophobicContact CG-CE2 3.92Å |
| 165 | I | 85 | Confident | 78.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73.6 | -42.7 | 175.7 | -67 | 164.8 | 0 | 0 | 0 | 111.8 | F92 L109 T110 M113 L161 K162 D163 R167 L168 L199 | F92-I165 HydrophobicContact CD2-CG1 4.15Å; F92-I165 HydrophobicContact CE2-CG1 3.54Å; F92-I165 HydrophobicContact CZ-CG1 4.01Å; L109-I165 HydrophobicContact CD2-CD1 3.91Å; T110-I165 HydrophobicContact CG2-CG2 3.77Å; M113-I165 HydrophobicContact CB-CD1 4.31Å; M113-I165 HydrophobicContact CG-CD1 3.82Å; L161-I165 HydrophobicContact CD1-CD1 4.36Å; L161-I165 HydrophobicContact CG-CD1 4.2Å; L161-I165 WeakPolarHBondContact O-CD1 3.42Å; L161-I165 VanDerWaalsContact O-CG1 3.31Å; L161-I165 WeakPolarHBondContact O-CG1 3.35Å; L161-I165 PolarHBondContact O-N 2.78Å; L161-I165 VanDerWaalsContact O-N 3.15Å; K162-I165 PolarHBondContact O-N 3.17Å; K162-I165 VanDerWaalsContact O-N 3.09Å; D163-I165 VanDerWaalsContact C-N 3.34Å; D163-I165 PolarHBondContact O-N 2.94Å; I165-R167 VanDerWaalsContact C-N 3.33Å; I165-L168 VanDerWaalsContact O-CB 3.31Å; I165-L168 WeakPolarHBondContact O-CB 3.47Å; I165-L168 WeakPolarHBondContact O-CG 3.48Å; I165-L168 PolarHBondContact O-N 2.68Å; I165-L199 HydrophobicContact CB-CD2 4.21Å; I165-L199 HydrophobicContact CD1-CD2 4.36Å; I165-L199 HydrophobicContact CG2-CD2 3.71Å |
| 166 | V | 84.7 | Confident | 76.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -35.7 | -179.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | K162 D163 L168 M169 L170 V174 I200 L271 | K162-V166 HydrophobicContact CG-CG2 4.01Å; K162-V166 WeakPolarHBondContact O-CG2 3.32Å; K162-V166 PolarHBondContact O-N 2.78Å; D163-V166 PolarHBondContact O-N 2.86Å; V166-L168 PolarHBondContact O-N 3.44Å; V166-L168 VanDerWaalsContact O-N 3.12Å; V166-M169 PolarHBondContact O-N 3.42Å; V166-L170 HydrophobicContact CG1-CB 4.33Å; V166-L170 PolarHBondContact O-N 3.21Å; V166-V174 HydrophobicContact CB-CG2 4.06Å; V166-V174 HydrophobicContact CG1-CG2 3.62Å; V166-I200 HydrophobicContact CG1-CD1 4.28Å; V166-I200 HydrophobicContact CG1-CG1 4.26Å; V166-I200 HydrophobicContact CG2-CG1 4Å; V166-L271 HydrophobicContact CG1-CD2 3.67Å |
| 167 | R | 81 | Confident | 74.8 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 15% | 0.151 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.5 | 176.1 | -163.5 | -176.8 | -71.1 | 112 | -10.1 | 113.3 | D163 E164 I165 M169 V174 G176 | D163-R167 VanDerWaalsContact O-CB 3.29Å; D163-R167 WeakPolarHBondContact O-CB 3.48Å; D163-R167 PolarHBondContact O-N 3.17Å; E164-R167 IonicContact OE1-CZ 3.45Å; E164-R167 IonicContact OE1-NH1 3.38Å; E164-R167 PolarHBondContact OE1-NH1 3.18Å; E164-R167 IonicContact OE2-NH1 3.96Å; E164-R167 PolarHBondContact OE2-NH1 2.79Å; I165-R167 VanDerWaalsContact C-N 3.33Å; R167-M169 PolarHBondContact O-N 2.88Å; R167-V174 HydrophobicContact CB-CB 4.28Å; R167-V174 HydrophobicContact CB-CG2 4.28Å; R167-V174 HydrophobicContact CG-CB 4.47Å; R167-G176 PolarHBondContact NE-O 2.87Å; R167-G176 PolarHBondContact NH2-O 3.16Å |
| 168 | L | 71.7 | Confident | 73.6 | Confident | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.2 | 171.5 | -49.2 | -177.9 | 0 | 0 | 0 | 113.2 | F92 E164 I165 V166 Y183 F188 | F92-L168 HydrophobicContact CE2-CD1 4.29Å; F92-L168 HydrophobicContact CZ-CD1 4.37Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; I165-L168 VanDerWaalsContact O-CB 3.31Å; I165-L168 WeakPolarHBondContact O-CB 3.47Å; I165-L168 WeakPolarHBondContact O-CG 3.48Å; I165-L168 PolarHBondContact O-N 2.68Å; V166-L168 PolarHBondContact O-N 3.44Å; V166-L168 VanDerWaalsContact O-N 3.12Å; L168-Y183 HydrophobicContact CD2-CD2 4.36Å; L168-Y183 HydrophobicContact CD2-CG 4.46Å; L168-F188 HydrophobicContact CB-CD2 4.28Å; L168-F188 HydrophobicContact CB-CE2 4.23Å; L168-F188 HydrophobicContact CD1-CZ 4.45Å; L168-F188 HydrophobicContact CD2-CE2 3.78Å; L168-F188 HydrophobicContact CD2-CZ 3.79Å; L168-F188 HydrophobicContact CG-CE2 4.43Å |
| 169 | M | 69.1 | Low | 72.2 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -41.5 | 179.9 | -79.3 | -60.8 | -65.7 | 0 | 0 | 113.6 | V166 R167 P171 R193 I197 I200 W278 V295 | V166-M169 PolarHBondContact O-N 3.42Å; R167-M169 PolarHBondContact O-N 2.88Å; M169-P171 VanDerWaalsContact C-CD 3.42Å; M169-P171 WeakPolarHBondContact O-CD 3.47Å; M169-R193 HydrophobicContact CE-CB 4.06Å; M169-R193 VanDerWaalsContact SD-CA 3.52Å; M169-R193 HydrophobicContact SD-CB 3.48Å; M169-R193 WeakPolarHBondContact SD-CB 3.44Å; M169-R193 HydrophobicContact SD-CG 3.58Å; M169-R193 VanDerWaalsContact SD-CG 3.58Å; M169-I197 HydrophobicContact CE-CD1 4.01Å; M169-I197 HydrophobicContact CE-CG1 4.05Å; M169-I200 HydrophobicContact CB-CD1 4.35Å; M169-W278 HydrophobicContact CE-CH2 3.85Å; M169-W278 HydrophobicContact CE-CZ2 3.56Å; M169-W278 HydrophobicContact CE-CZ3 4.47Å; M169-W278 PolarHBondContact O-NE1 3.03Å; M169-W278 HydrophobicContact SD-CZ2 4.46Å; M169-V295 HydrophobicContact CE-CG1 4.41Å |
| 170 | L | 71.2 | Confident | 70.7 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | trans | -123.5 | 67.4 | -173.4 | -65.3 | 179.7 | 0 | 0 | 0 | 110.8 | V166 S172 E173 I200 L271 G274 | V166-L170 HydrophobicContact CG1-CB 4.33Å; V166-L170 PolarHBondContact O-N 3.21Å; L170-S172 PolarHBondContact O-N 2.97Å; L170-E173 HydrophobicContact CB-CB 4.12Å; L170-E173 HydrophobicContact CB-CG 4.05Å; L170-E173 HydrophobicContact CD1-CG 4.42Å; L170-E173 PolarHBondContact O-N 3.26Å; L170-E173 VanDerWaalsContact O-N 3.12Å; L170-I200 HydrophobicContact CD1-CD1 3.94Å; L170-I200 HydrophobicContact CG-CD1 4.35Å; L170-L271 HydrophobicContact CD1-CD2 4.34Å; L170-G274 WeakPolarHBondContact CD2-O 3.42Å | ||
| 171 | P | 63.2 | Low | 69.1 | Low | 73 Ų | 73 | 38.2 Ų | 38.2 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19 | -175.4 | 26.3 | -35.2 | 0 | 0 | 0 | 114.3 | M169 | M169-P171 VanDerWaalsContact C-CD 3.42Å; M169-P171 WeakPolarHBondContact O-CD 3.47Å |
| 172 | S | 60.7 | Low | 67.3 | Low | 65 Ų | 65 | 45.2 Ų | 45.2 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -23.4 | 173.9 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | L170 R281 | L170-S172 PolarHBondContact O-N 2.97Å; S172-R281 PolarHBondContact OG-NH1 3.22Å; S172-R281 PolarHBondContact OG-NH2 3.42Å |
| 173 | E | 62.3 | Low | 65.6 | Low | 29 Ų | 29 | 48.7 Ų | 48.7 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.6 | -169.8 | -50.6 | -41.5 | 124.3 | 0 | 0 | 114.1 | L170 R270 R281 | L170-E173 HydrophobicContact CB-CB 4.12Å; L170-E173 HydrophobicContact CB-CG 4.05Å; L170-E173 HydrophobicContact CD1-CG 4.42Å; L170-E173 PolarHBondContact O-N 3.26Å; L170-E173 VanDerWaalsContact O-N 3.12Å; E173-R270 HydrophobicContact CB-CG 4.25Å; E173-R270 WeakPolarHBondContact O-CD 3.39Å; E173-R281 IonicContact OE1-NH2 2.66Å |
| 174 | V | 61.5 | Low | 63.8 | Low | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -102.2 | 97.3 | -179.3 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | D163 V166 R167 G176 | D163-V174 HydrophobicContact CB-CG1 3.77Å; V166-V174 HydrophobicContact CB-CG2 4.06Å; V166-V174 HydrophobicContact CG1-CG2 3.62Å; R167-V174 HydrophobicContact CB-CB 4.28Å; R167-V174 HydrophobicContact CB-CG2 4.28Å; R167-V174 HydrophobicContact CG-CB 4.47Å; V174-G176 PolarHBondContact O-N 3.24Å |
| 175 | S | 54.1 | Low | 62.2 | Low | 110 Ų | 110 | 51.6 Ų | 51.6 | 77% | 0.769 | 30% | 0.302 | S | S | * | . | trans | -59.7 | 127.4 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 176 | G | 54 | Low | 60.7 | Low | 56 Ų | 56 | 55.1 Ų | 55.1 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 110 | 149.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R167 V174 | R167-G176 PolarHBondContact NE-O 2.87Å; R167-G176 PolarHBondContact NH2-O 3.16Å; V174-G176 PolarHBondContact O-N 3.24Å |
| 177 | T | 52.3 | Low | 59.2 | Low | 118 Ų | 118 | 60.2 Ų | 60.2 | 72% | 0.724 | 35% | 0.353 | S | S | * | . | trans | -62.1 | 135.5 | 175.7 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 178 | S | 60.2 | Low | 58.5 | Low | 14 Ų | 14 | 58.8 Ų | 58.8 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | trans | -57.4 | 140.5 | 170.8 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | E164 F180 G181 | E164-S178 WeakPolarHBondContact OE1-CA 3.31Å; E164-S178 WeakPolarHBondContact OE2-CB 3.43Å; E164-S178 PolarHBondContact OE2-OG 2.75Å; S178-F180 PolarHBondContact O-N 3.29Å; S178-F180 PolarHBondContact OG-N 2.86Å; S178-G181 WeakPolarHBondContact CB-O 3.43Å; S178-G181 PolarHBondContact OG-N 3.26Å; S178-G181 VanDerWaalsContact OG-N 3.1Å; S178-G181 PolarHBondContact OG-O 2.83Å | ||
| 179 | V | 59.6 | Low | 58.6 | Low | 116 Ų | 116 | 62.8 Ų | 62.8 | 70% | 0.703 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -64.4 | -20.8 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | E164 | E164-V179 PolarHBondContact OE1-N 2.77Š|
| 180 | F | 57.4 | Low | 59.2 | Low | 52 Ų | 52 | 64.1 Ų | 64.1 | 23% | 0.228 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -109.6 | -20.9 | -174.6 | -55.2 | -69.5 | 0 | 0 | 0 | 114.1 | F89 F92 E164 S178 Y183 | F89-F180 HydrophobicContact CD1-CE2 4.42Å; F89-F180 HydrophobicContact CD1-CZ 4.14Å; F92-F180 HydrophobicContact CD1-CD2 4.11Å; F92-F180 AromaticContact CD1-CE2 3.58Å; F92-F180 HydrophobicContact CD1-CE2 3.58Å; F92-F180 HydrophobicContact CD1-CZ 4.13Å; F92-F180 AromaticContact CE1-CD2 3.77Å; F92-F180 HydrophobicContact CE1-CD2 3.77Å; F92-F180 AromaticContact CE1-CE2 3.63Å; F92-F180 HydrophobicContact CE1-CE2 3.63Å; E164-F180 HydrophobicContact CB-CD2 4.39Å; E164-F180 HydrophobicContact CB-CE2 4.35Å; E164-F180 HydrophobicContact CG-CD2 4Å; E164-F180 HydrophobicContact CG-CE2 3.92Å; S178-F180 PolarHBondContact O-N 3.29Å; S178-F180 PolarHBondContact OG-N 2.86Å; F180-Y183 HydrophobicContact CB-CE2 3.87Å; F180-Y183 WeakPolarHBondContact CB-OH 3.5Å; F180-Y183 PolarHBondContact O-OH 3.23Å; F180-Y183 VanDerWaalsContact O-OH 3.1Å |
| 181 | G | 53.2 | Low | 59.8 | Low | 15 Ų | 15 | 65.4 Ų | 65.4 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | trans | 130.4 | -176.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S178 Y183 | S178-G181 WeakPolarHBondContact CB-O 3.43Å; S178-G181 PolarHBondContact OG-N 3.26Å; S178-G181 VanDerWaalsContact OG-N 3.1Å; S178-G181 PolarHBondContact OG-O 2.83Å; G181-Y183 VanDerWaalsContact O-CD2 3.25Å; G181-Y183 WeakPolarHBondContact O-CD2 3.16Å; G181-Y183 WeakPolarHBondContact O-CE2 3.34Å; G181-Y183 PolarHBondContact O-N 2.79Å | ||
| 182 | Q | 49.8 | Very low | 60.8 | Low | 149 Ų | 149 | 62 Ų | 62 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | trans | -77 | 112.3 | 173.3 | -75 | -179 | -24.6 | 0 | 0 | 111 | H1008 | Q182-H1008 PolarHBondContact OE1-CE1 3.46Å; Q182-H1008 PolarHBondContact OE1-ND1 3.31Å | ||
| 183 | Y | 54.5 | Low | 62 | Low | 78 Ų | 78 | 59.7 Ų | 59.7 | 31% | 0.306 | 35% | 0.348 | S | S | . | . | trans | -94.9 | 132.1 | 174.4 | -66.6 | -75.2 | 0 | 0 | 0 | 111.5 | I96 L168 F180 G181 F188 | I96-Y183 HydrophobicContact CG2-CD1 4.3Å; I96-Y183 HydrophobicContact CG2-CE1 3.33Å; I96-Y183 WeakPolarHBondContact CG2-OH 3.44Å; L168-Y183 HydrophobicContact CD2-CD2 4.36Å; L168-Y183 HydrophobicContact CD2-CG 4.46Å; F180-Y183 HydrophobicContact CB-CE2 3.87Å; F180-Y183 WeakPolarHBondContact CB-OH 3.5Å; F180-Y183 PolarHBondContact O-OH 3.23Å; F180-Y183 VanDerWaalsContact O-OH 3.1Å; G181-Y183 VanDerWaalsContact O-CD2 3.25Å; G181-Y183 WeakPolarHBondContact O-CD2 3.16Å; G181-Y183 WeakPolarHBondContact O-CE2 3.34Å; G181-Y183 PolarHBondContact O-N 2.79Å; Y183-F188 HydrophobicContact CD1-CZ 4.23Å; Y183-F188 HydrophobicContact CG-CZ 4.39Å | ||
| 184 | H | 49.2 | Very low | 63.2 | Low | 97 Ų | 97 | 61 Ų | 61 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | trans | -80.9 | 120.5 | 172.5 | -153.4 | -97.8 | 0 | 0 | 0 | 109.4 | S186 L187 | H184-S186 PolarHBondContact ND1-OG 2.78Å; H184-S186 PolarHBondContact O-N 2.73Å; H184-L187 HydrophobicContact CB-CD1 4.4Å; H184-L187 PolarHBondContact O-N 3.09Å; H184-L187 VanDerWaalsContact O-N 3.15Å | ||
| 185 | P | 52.4 | Low | 64.5 | Low | 28 Ų | 28 | 62.4 Ų | 62.4 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -68.7 | -6.4 | -169 | 25.9 | -34.5 | 0 | 0 | 0 | 114.7 | L187 R193 | P185-L187 VanDerWaalsContact C-N 3.33Å; P185-R193 PolarHBondContact O-NH2 3.18Å |
| 186 | S | 51.9 | Low | 66.1 | Low | 74 Ų | 74 | 57.2 Ų | 57.2 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -74.3 | -16.3 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | H184 F188 | H184-S186 PolarHBondContact ND1-OG 2.78Å; H184-S186 PolarHBondContact O-N 2.73Å; S186-F188 VanDerWaalsContact C-N 3.31Å; S186-F188 PolarHBondContact O-N 3.27Å |
| 187 | L | 54.5 | Low | 67.8 | Low | 107 Ų | 107 | 54.6 Ų | 54.6 | 56% | 0.56 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -75.5 | -13.9 | 179.7 | -92.7 | 141.7 | 0 | 0 | 0 | 114.3 | H184 P185 | H184-L187 HydrophobicContact CB-CD1 4.4Å; H184-L187 PolarHBondContact O-N 3.09Å; H184-L187 VanDerWaalsContact O-N 3.15Å; P185-L187 VanDerWaalsContact C-N 3.33Å |
| 188 | F | 65.7 | Low | 69.7 | Low | 10 Ų | 10 | 50.8 Ų | 50.8 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -103 | 112.7 | -173.4 | -59.7 | -64.1 | 0 | 0 | 0 | 112.6 | L106 L168 Y183 S186 I192 R193 | L106-F188 HydrophobicContact CD1-CD1 4.4Å; L106-F188 HydrophobicContact CD1-CE1 4.1Å; L168-F188 HydrophobicContact CB-CD2 4.28Å; L168-F188 HydrophobicContact CB-CE2 4.23Å; L168-F188 HydrophobicContact CD1-CZ 4.45Å; L168-F188 HydrophobicContact CD2-CE2 3.78Å; L168-F188 HydrophobicContact CD2-CZ 3.79Å; L168-F188 HydrophobicContact CG-CE2 4.43Å; Y183-F188 HydrophobicContact CD1-CZ 4.23Å; Y183-F188 HydrophobicContact CG-CZ 4.39Å; S186-F188 VanDerWaalsContact C-N 3.31Å; S186-F188 PolarHBondContact O-N 3.27Å; F188-I192 HydrophobicContact CB-CD1 4.21Å; F188-I192 HydrophobicContact CD1-CD1 3.77Å; F188-I192 HydrophobicContact CG-CD1 4.44Å; F188-R193 PolarHBondContact O-NE 2.86Å; F188-R193 VanDerWaalsContact O-NE 3.08Å |
| 189 | N | 73.1 | Confident | 71.2 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 49% | 0.492 | 27% | 0.271 | S | S | . | . | trans | -52.6 | 142.9 | 171.7 | -178.8 | -70 | 0 | 0 | 0 | 112.1 | V103 A191 I192 R193 | V103-N189 HydrophobicContact CG1-CB 4.09Å; V103-N189 HydrophobicContact CG2-CB 4.28Å; N189-A191 PolarHBondContact O-N 3.38Å; N189-A191 WeakPolarHBondContact OD1-CB 3.5Å; N189-A191 PolarHBondContact OD1-N 2.84Å; N189-I192 WeakPolarHBondContact O-CB 3.39Å; N189-I192 PolarHBondContact O-N 3.34Å; N189-R193 PolarHBondContact O-N 2.67Å | ||
| 190 | D | 83.3 | Confident | 72.8 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -46.2 | -34.1 | 179.4 | -68.8 | -0.6 | 0 | 0 | 0 | 114.7 | I192 R193 I194 T292 V295 | D190-I192 PolarHBondContact O-N 3.21Å; D190-R193 WeakPolarHBondContact O-CB 3.29Å; D190-R193 PolarHBondContact O-N 2.66Å; D190-I194 WeakPolarHBondContact O-CB 3.2Å; D190-I194 WeakPolarHBondContact O-CG1 3.39Å; D190-I194 PolarHBondContact O-N 3.21Å; D190-T292 PolarHBondContact OD1-OG1 3.42Å; D190-T292 VanDerWaalsContact OD2-CB 3.32Å; D190-T292 WeakPolarHBondContact OD2-CB 3.45Å; D190-T292 PolarHBondContact OD2-OG1 2.67Å; D190-V295 HydrophobicContact CB-CG2 3.84Å |
| 191 | A | 83.7 | Confident | 74.4 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.1 | -21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N189 | N189-A191 PolarHBondContact O-N 3.38Å; N189-A191 WeakPolarHBondContact OD1-CB 3.5Å; N189-A191 PolarHBondContact OD1-N 2.84Å |
| 192 | I | 84.2 | Confident | 76.3 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.8 | -44.8 | 168.5 | -54.1 | 168.5 | 0 | 0 | 0 | 109.3 | V103 L106 F188 N189 D190 I194 Q195 S196 | V103-I192 HydrophobicContact CB-CD1 4.3Å; V103-I192 HydrophobicContact CG1-CD1 4.08Å; V103-I192 HydrophobicContact CG1-CG1 3.97Å; V103-I192 HydrophobicContact CG2-CD1 4.19Å; L106-I192 HydrophobicContact CB-CD1 4.22Å; L106-I192 HydrophobicContact CB-CG1 4.44Å; L106-I192 HydrophobicContact CD1-CD1 3.93Å; F188-I192 HydrophobicContact CB-CD1 4.21Å; F188-I192 HydrophobicContact CD1-CD1 3.77Å; F188-I192 HydrophobicContact CG-CD1 4.44Å; N189-I192 WeakPolarHBondContact O-CB 3.39Å; N189-I192 PolarHBondContact O-N 3.34Å; D190-I192 PolarHBondContact O-N 3.21Å; I192-I194 VanDerWaalsContact C-N 3.35Å; I192-I194 PolarHBondContact O-N 2.92Å; I192-Q195 PolarHBondContact O-N 3.4Å; I192-S196 PolarHBondContact O-N 2.82Å; I192-S196 PolarHBondContact O-OG 3.16Å |
| 193 | R | 84.5 | Confident | 78.3 | Confident | 16 Ų | 16 | 36 Ų | 36 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.3 | -50.3 | -178.1 | -60.6 | -176 | 167.4 | -164 | -12.2 | 111.4 | M169 P185 F188 N189 D190 Q195 S196 I197 S290 V295 | M169-R193 HydrophobicContact CE-CB 4.06Å; M169-R193 VanDerWaalsContact SD-CA 3.52Å; M169-R193 HydrophobicContact SD-CB 3.48Å; M169-R193 WeakPolarHBondContact SD-CB 3.44Å; M169-R193 HydrophobicContact SD-CG 3.58Å; M169-R193 VanDerWaalsContact SD-CG 3.58Å; P185-R193 PolarHBondContact O-NH2 3.18Å; F188-R193 PolarHBondContact O-NE 2.86Å; F188-R193 VanDerWaalsContact O-NE 3.08Å; N189-R193 PolarHBondContact O-N 2.67Å; D190-R193 WeakPolarHBondContact O-CB 3.29Å; D190-R193 PolarHBondContact O-N 2.66Å; R193-Q195 PolarHBondContact O-N 2.96Å; R193-S196 PolarHBondContact O-N 3.31Å; R193-I197 WeakPolarHBondContact O-CG1 3.21Å; R193-I197 PolarHBondContact O-N 3.01Å; R193-S290 PolarHBondContact NH1-O 2.86Å; R193-S290 VanDerWaalsContact NH1-O 3.09Å; R193-V295 HydrophobicContact CB-CG1 4.28Å; R193-V295 HydrophobicContact CB-CG2 3.9Å |
| 194 | I | 88.6 | Confident | 80 | Confident | 56 Ų | 56 | 32.3 Ų | 32.3 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.6 | -45.9 | 175.2 | -67.3 | 166.2 | 0 | 0 | 0 | 111.2 | D190 I192 S196 I197 S198 P294 V295 | D190-I194 WeakPolarHBondContact O-CB 3.2Å; D190-I194 WeakPolarHBondContact O-CG1 3.39Å; D190-I194 PolarHBondContact O-N 3.21Å; I192-I194 VanDerWaalsContact C-N 3.35Å; I192-I194 PolarHBondContact O-N 2.92Å; I194-S196 VanDerWaalsContact C-N 3.33Å; I194-S196 PolarHBondContact O-N 3.11Å; I194-I197 WeakPolarHBondContact O-CB 3.47Å; I194-I197 PolarHBondContact O-N 3.35Å; I194-I197 VanDerWaalsContact O-N 3.16Å; I194-S198 PolarHBondContact O-N 3.39Å; I194-S198 PolarHBondContact O-OG 3.46Å; I194-P294 HydrophobicContact CD1-CB 4.26Å; I194-V295 HydrophobicContact CG1-CG2 4.3Å |
| 195 | Q | 88.5 | Confident | 82 | Confident | 44 Ų | 44 | 28.2 Ų | 28.2 | 21% | 0.206 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -32.8 | -178.4 | -168.5 | 60.6 | 81.4 | 0 | 0 | 112.8 | R107 T110 A111 I192 R193 L199 | R107-Q195 HydrophobicContact CG-CB 4.22Å; R107-Q195 HydrophobicContact CG-CG 4.19Å; T110-Q195 HydrophobicContact CG2-CB 4.35Å; T110-Q195 HydrophobicContact CG2-CG 3.83Å; T110-Q195 WeakPolarHBondContact CG2-O 3.41Å; A111-Q195 HydrophobicContact CB-CG 4.32Å; I192-Q195 PolarHBondContact O-N 3.4Å; R193-Q195 PolarHBondContact O-N 2.96Å; Q195-L199 PolarHBondContact O-N 2.7Å |
| 196 | S | 88.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72 | -33.3 | 171.3 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | I192 R193 I194 L199 I200 | I192-S196 PolarHBondContact O-N 2.82Å; I192-S196 PolarHBondContact O-OG 3.16Å; R193-S196 PolarHBondContact O-N 3.31Å; I194-S196 VanDerWaalsContact C-N 3.33Å; I194-S196 PolarHBondContact O-N 3.11Å; S196-L199 PolarHBondContact O-N 3.5Å; S196-I200 WeakPolarHBondContact O-CG1 3.4Å; S196-I200 PolarHBondContact O-N 3.21Å |
| 197 | I | 90 | Very high | 85.6 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 170.8 | -71.6 | 160 | 0 | 0 | 0 | 110.3 | M169 R193 I194 L199 I200 E201 L275 V295 V299 S302 | M169-I197 HydrophobicContact CE-CD1 4.01Å; M169-I197 HydrophobicContact CE-CG1 4.05Å; R193-I197 WeakPolarHBondContact O-CG1 3.21Å; R193-I197 PolarHBondContact O-N 3.01Å; I194-I197 WeakPolarHBondContact O-CB 3.47Å; I194-I197 PolarHBondContact O-N 3.35Å; I194-I197 VanDerWaalsContact O-N 3.16Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 3.34Å; I197-I200 PolarHBondContact O-N 2.85Å; I197-I200 VanDerWaalsContact O-N 3.1Å; I197-E201 PolarHBondContact O-N 3.3Å; I197-L275 HydrophobicContact CG1-CD1 4.47Å; I197-L275 HydrophobicContact CG2-CD1 4.36Å; I197-V295 HydrophobicContact CD1-CG1 3.79Å; I197-V299 HydrophobicContact CD1-CG2 3.66Å; I197-V299 HydrophobicContact CG1-CG2 4.37Å; I197-S302 VanDerWaalsContact CG2-OG 3.27Å; I197-S302 WeakPolarHBondContact CG2-OG 3.31Å |
| 198 | S | 91.7 | Very high | 87.3 | Confident | 39 Ų | 39 | 18.7 Ų | 18.7 | 27% | 0.273 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -62.5 | -30.6 | 174.9 | -49.6 | 0 | 0 | 0 | 0 | 113.7 | I194 C202 | I194-S198 PolarHBondContact O-N 3.39Å; I194-S198 PolarHBondContact O-OG 3.46Å; S198-C202 WeakPolarHBondContact O-CB 3.35Å; S198-C202 PolarHBondContact O-N 2.87Å; S198-C202 VanDerWaalsContact O-N 3.13Å |
| 199 | L | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.6 | -41.3 | 172.3 | -177.7 | 65.3 | 0 | 0 | 0 | 111.4 | T110 I114 I165 Q195 S196 I197 C202 V203 | T110-L199 HydrophobicContact CG2-CB 4.27Å; T110-L199 HydrophobicContact CG2-CD2 4.23Å; I114-L199 HydrophobicContact CG1-CB 4.24Å; I114-L199 HydrophobicContact CG1-CD1 3.79Å; I165-L199 HydrophobicContact CB-CD2 4.21Å; I165-L199 HydrophobicContact CD1-CD2 4.36Å; I165-L199 HydrophobicContact CG2-CD2 3.71Å; Q195-L199 PolarHBondContact O-N 2.7Å; S196-L199 PolarHBondContact O-N 3.5Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 3.34Å; L199-C202 WeakPolarHBondContact O-CB 3.48Å; L199-C202 PolarHBondContact O-N 3.03Å; L199-V203 VanDerWaalsContact O-CG2 3.26Å; L199-V203 WeakPolarHBondContact O-CG2 3.15Å; L199-V203 PolarHBondContact O-N 3.5Å |
| 200 | I | 91.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.7 | -69.7 | 162 | 0 | 0 | 0 | 110.8 | V166 M169 L170 S196 I197 C202 V203 I204 L271 | V166-I200 HydrophobicContact CG1-CD1 4.28Å; V166-I200 HydrophobicContact CG1-CG1 4.26Å; V166-I200 HydrophobicContact CG2-CG1 4Å; M169-I200 HydrophobicContact CB-CD1 4.35Å; L170-I200 HydrophobicContact CD1-CD1 3.94Å; L170-I200 HydrophobicContact CG-CD1 4.35Å; S196-I200 WeakPolarHBondContact O-CG1 3.4Å; S196-I200 PolarHBondContact O-N 3.21Å; I197-I200 PolarHBondContact O-N 2.85Å; I197-I200 VanDerWaalsContact O-N 3.1Å; I200-C202 PolarHBondContact O-N 3.37Å; I200-V203 PolarHBondContact O-N 2.89Å; I200-I204 HydrophobicContact CG2-CD1 3.66Å; I200-I204 HydrophobicContact CG2-CG1 4.36Å; I200-I204 VanDerWaalsContact O-CG1 3.32Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 2.84Å; I200-L271 HydrophobicContact CG2-CB 4.29Å |
| 201 | E | 92.7 | Very high | 88.9 | Confident | 29 Ų | 29 | 25 Ų | 25 | 14% | 0.136 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -50.7 | 173 | 177.8 | -178.6 | 159.4 | 0 | 0 | 111.3 | I197 V203 I204 I205 S302 N305 I306 | I197-E201 PolarHBondContact O-N 3.3Å; E201-V203 VanDerWaalsContact C-N 3.33Å; E201-V203 PolarHBondContact O-N 2.8Å; E201-I204 PolarHBondContact O-N 3.28Å; E201-I205 HydrophobicContact CG-CD1 3.7Å; E201-I205 WeakPolarHBondContact O-CD1 3.34Å; E201-I205 VanDerWaalsContact O-CG1 3.27Å; E201-I205 WeakPolarHBondContact O-CG1 3.5Å; E201-I205 PolarHBondContact O-N 2.95Å; E201-S302 WeakPolarHBondContact OE2-CA 3.47Å; E201-S302 VanDerWaalsContact OE2-CB 3.24Å; E201-S302 WeakPolarHBondContact OE2-CB 3.49Å; E201-S302 PolarHBondContact OE2-OG 3.13Å; E201-N305 WeakPolarHBondContact OE1-CB 3.48Å; E201-N305 PolarHBondContact OE1-ND2 3.05Å; E201-I306 HydrophobicContact CG-CG1 4.26Å |
| 202 | C | 91.7 | Very high | 88.7 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 176.9 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | I114 R118 S198 L199 I200 I205 L206 | I114-C202 HydrophobicContact CG2-CB 4.26Å; R118-C202 PolarHBondContact NE-SG 3.09Å; S198-C202 WeakPolarHBondContact O-CB 3.35Å; S198-C202 PolarHBondContact O-N 2.87Å; S198-C202 VanDerWaalsContact O-N 3.13Å; L199-C202 WeakPolarHBondContact O-CB 3.48Å; L199-C202 PolarHBondContact O-N 3.03Å; I200-C202 PolarHBondContact O-N 3.37Å; C202-I205 PolarHBondContact O-N 3.15Å; C202-L206 VanDerWaalsContact O-CG 3.25Å; C202-L206 WeakPolarHBondContact O-CG 3.11Å; C202-L206 PolarHBondContact O-N 2.97Å; C202-L206 VanDerWaalsContact O-N 3.09Å |
| 203 | V | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | -179.6 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | Y117 K162 L199 I200 E201 I205 L206 H207 L271 | Y117-V203 HydrophobicContact CD1-CG2 4.16Å; Y117-V203 HydrophobicContact CE1-CG2 3.99Å; K162-V203 HydrophobicContact CD-CB 4.49Å; K162-V203 HydrophobicContact CD-CG1 4.13Å; K162-V203 HydrophobicContact CD-CG2 3.54Å; K162-V203 HydrophobicContact CG-CG2 4.34Å; L199-V203 VanDerWaalsContact O-CG2 3.26Å; L199-V203 WeakPolarHBondContact O-CG2 3.15Å; L199-V203 PolarHBondContact O-N 3.5Å; I200-V203 PolarHBondContact O-N 2.89Å; E201-V203 VanDerWaalsContact C-N 3.33Å; E201-V203 PolarHBondContact O-N 2.8Å; V203-I205 VanDerWaalsContact C-N 3.32Å; V203-I205 PolarHBondContact O-N 2.96Å; V203-L206 PolarHBondContact O-N 2.94Å; V203-H207 VanDerWaalsContact O-CB 3.25Å; V203-H207 WeakPolarHBondContact O-CB 3.49Å; V203-H207 PolarHBondContact O-CD2 3.17Å; V203-H207 PolarHBondContact O-N 2.81Å; V203-L271 HydrophobicContact CB-CD1 4.29Å; V203-L271 HydrophobicContact CG1-CD1 3.62Å |
| 204 | I | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 177.6 | -68.3 | 166.8 | 0 | 0 | 0 | 110.8 | I200 E201 H207 S208 L271 F272 L275 I306 F313 | I200-I204 HydrophobicContact CG2-CD1 3.66Å; I200-I204 HydrophobicContact CG2-CG1 4.36Å; I200-I204 VanDerWaalsContact O-CG1 3.32Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 2.84Å; E201-I204 PolarHBondContact O-N 3.28Å; I204-H207 PolarHBondContact O-N 3Å; I204-S208 WeakPolarHBondContact O-CB 3.23Å; I204-S208 PolarHBondContact O-N 2.92Å; I204-S208 PolarHBondContact O-OG 3.07Å; I204-L271 HydrophobicContact CD1-CB 4.09Å; I204-L271 HydrophobicContact CG1-CB 3.95Å; I204-F272 HydrophobicContact CD1-CB 4.13Å; I204-L275 HydrophobicContact CD1-CD2 4.35Å; I204-I306 HydrophobicContact CB-CD1 4.32Å; I204-I306 HydrophobicContact CD1-CD1 3.85Å; I204-I306 HydrophobicContact CG2-CD1 4.08Å; I204-I306 HydrophobicContact CG2-CG1 4.18Å; I204-I306 HydrophobicContact CG2-CG2 3.99Å; I204-F313 HydrophobicContact CG2-CE2 4Å; I204-F313 HydrophobicContact CG2-CZ 4.35Å |
| 205 | I | 91.4 | Very high | 88.4 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 179.3 | -67 | 159.9 | 0 | 0 | 0 | 111.5 | E201 C202 V203 S208 I306 Q309 R310 | E201-I205 HydrophobicContact CG-CD1 3.7Å; E201-I205 WeakPolarHBondContact O-CD1 3.34Å; E201-I205 VanDerWaalsContact O-CG1 3.27Å; E201-I205 WeakPolarHBondContact O-CG1 3.5Å; E201-I205 PolarHBondContact O-N 2.95Å; C202-I205 PolarHBondContact O-N 3.15Å; V203-I205 VanDerWaalsContact C-N 3.32Å; V203-I205 PolarHBondContact O-N 2.96Å; I205-S208 PolarHBondContact O-OG 3.32Å; I205-I306 HydrophobicContact CG1-CG1 4.49Å; I205-Q309 VanDerWaalsContact CD1-NE2 3.32Å; I205-Q309 HydrophobicContact CG1-CB 4.42Å; I205-R310 VanDerWaalsContact O-CZ 3.28Å; I205-R310 PolarHBondContact O-NE 2.86Å; I205-R310 PolarHBondContact O-NH2 3.22Å |
| 206 | L | 89.8 | Confident | 88.1 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 178.4 | -69.1 | 167.5 | 0 | 0 | 0 | 112.1 | Y117 R118 L121 C202 V203 S208 D223 L224 | Y117-L206 HydrophobicContact CD1-CD1 3.83Å; Y117-L206 HydrophobicContact CE1-CD1 4.17Å; R118-L206 HydrophobicContact CG-CD1 3.93Å; R118-L206 HydrophobicContact CG-CD2 4.45Å; L121-L206 HydrophobicContact CD2-CB 3.95Å; L121-L206 HydrophobicContact CD2-CD1 4.16Å; L121-L206 HydrophobicContact CD2-CD2 4.47Å; L121-L206 HydrophobicContact CD2-CG 4.43Å; C202-L206 VanDerWaalsContact O-CG 3.25Å; C202-L206 WeakPolarHBondContact O-CG 3.11Å; C202-L206 PolarHBondContact O-N 2.97Å; C202-L206 VanDerWaalsContact O-N 3.09Å; V203-L206 PolarHBondContact O-N 2.94Å; L206-S208 VanDerWaalsContact C-N 3.26Å; L206-S208 PolarHBondContact O-N 3.4Å; L206-D223 HydrophobicContact CD2-CB 4.14Å; L206-L224 VanDerWaalsContact CD2-O 3.28Å; L206-L224 WeakPolarHBondContact CD2-O 3.22Å |
| 207 | H | 89.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 10.7 | -173.2 | -70.2 | -159.4 | 0 | 0 | 0 | 114.2 | Y117 V203 I204 L264 E267 A268 | Y117-H207 AromaticContact CE1-NE2 3.66Å; Y117-H207 AromaticContact CZ-NE2 3.79Å; Y117-H207 PolarHBondContact OH-CE1 3.43Å; Y117-H207 VanDerWaalsContact OH-CE1 3.26Å; Y117-H207 PolarHBondContact OH-NE2 3.05Å; V203-H207 VanDerWaalsContact O-CB 3.25Å; V203-H207 WeakPolarHBondContact O-CB 3.49Å; V203-H207 PolarHBondContact O-CD2 3.17Å; V203-H207 PolarHBondContact O-N 2.81Å; I204-H207 PolarHBondContact O-N 3Å; H207-L264 HydrophobicContact CB-CB 4.11Å; H207-L264 WeakPolarHBondContact CB-O 3.24Å; H207-L264 VanDerWaalsContact CE1-CD2 3.43Å; H207-L264 WeakPolarHBondContact CE1-CD2 3.34Å; H207-E267 IonicContact CE1-OE2 3.75Å; H207-E267 PolarHBondContact CE1-OE2 3.33Å; H207-E267 IonicContact ND1-OE2 3.36Å; H207-E267 PolarHBondContact ND1-OE2 3.28Å; H207-A268 HydrophobicContact CB-CB 3.81Å |
| 208 | S | 89.6 | Confident | 87.2 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -128.9 | 163.6 | 179.7 | 53.5 | 0 | 0 | 0 | 0 | 112 | I204 I205 L206 L226 R310 | I204-S208 WeakPolarHBondContact O-CB 3.23Å; I204-S208 PolarHBondContact O-N 2.92Å; I204-S208 PolarHBondContact O-OG 3.07Å; I205-S208 PolarHBondContact O-OG 3.32Å; L206-S208 VanDerWaalsContact C-N 3.26Å; L206-S208 PolarHBondContact O-N 3.4Å; S208-L226 WeakPolarHBondContact O-CB 3.18Å; S208-L226 PolarHBondContact O-N 2.93Å; S208-R310 PolarHBondContact O-NE 3.47Å; S208-R310 WeakPolarHBondContact OG-CD 3.19Å; S208-R310 WeakPolarHBondContact OG-CG 3.17Å; S208-R310 PolarHBondContact OG-NE 2.92Å |
| 209 | R | 86.5 | Confident | 86.4 | Confident | 152 Ų | 152 | 56.7 Ų | 56.7 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 140.5 | -170 | -60.4 | -177.8 | 179.7 | 176.8 | 1.3 | 111.5 | L211 L226 R310 | R209-L211 PolarHBondContact O-N 2.97Å; R209-L226 HydrophobicContact CG-CB 4.01Å; R209-L226 HydrophobicContact CG-CD2 3.88Å; R209-L226 HydrophobicContact CG-CG 4.39Å; R209-R310 WeakPolarHBondContact O-CD 3.39Å; R209-R310 PolarHBondContact O-NE 3.18Å |
| 210 | R | 85.7 | Confident | 85.8 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 122.3 | 163.1 | -68.3 | 174.7 | -170.9 | -132.9 | -7.7 | 108.8 | I216 N220 E221 D223 S225 D227 | R210-I216 HydrophobicContact CG-CD1 3.95Å; R210-N220 PolarHBondContact NH2-O 3.26Å; R210-E221 PolarHBondContact NH1-O 3.47Å; R210-E221 PolarHBondContact NH2-O 3.27Å; R210-E221 VanDerWaalsContact NH2-O 3.16Å; R210-D223 PolarHBondContact NH2-O 2.87Å; R210-S225 WeakPolarHBondContact CD-OG 3.27Å; R210-S225 WeakPolarHBondContact CG-OG 3.5Å; R210-S225 PolarHBondContact NE-OG 3.49Å; R210-D227 PolarHBondContact N-OD1 3.26Å |
| 211 | L | 84.1 | Confident | 84.9 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 155 | 167.8 | -69.1 | 174.4 | 0 | 0 | 0 | 110.5 | R209 N213 S214 P311 Q312 | R209-L211 PolarHBondContact O-N 2.97Å; L211-N213 WeakPolarHBondContact CB-OD1 3.26Å; L211-N213 PolarHBondContact O-N 3.28Å; L211-S214 WeakPolarHBondContact CA-OG 3.46Å; L211-S214 PolarHBondContact N-OG 3.33Å; L211-S214 VanDerWaalsContact O-CB 3.31Å; L211-S214 WeakPolarHBondContact O-CB 3.14Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 PolarHBondContact O-OG 3.34Å; L211-P311 HydrophobicContact CD1-CB 4.25Å; L211-Q312 HydrophobicContact CD1-CB 4.06Å |
| 212 | P | 78.9 | Confident | 84 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 94% | 0.935 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.6 | -178.8 | -24.1 | 34.7 | 0 | 0 | 0 | 115.6 | ||
| 213 | N | 82 | Confident | 83.3 | Confident | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 13.7 | 177.7 | 60.1 | -5.5 | 0 | 0 | 0 | 113 | L211 H354 | L211-N213 WeakPolarHBondContact CB-OD1 3.26Å; L211-N213 PolarHBondContact O-N 3.28Å; N213-H354 PolarHBondContact O-CE1 3.48Å; N213-H354 PolarHBondContact O-NE2 3.02Å |
| 214 | S | 84.5 | Confident | 82.8 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | trans | -80.7 | 129.3 | -178.8 | -49 | 0 | 0 | 0 | 0 | 112.2 | L211 Q309 | L211-S214 WeakPolarHBondContact CA-OG 3.46Å; L211-S214 PolarHBondContact N-OG 3.33Å; L211-S214 VanDerWaalsContact O-CB 3.31Å; L211-S214 WeakPolarHBondContact O-CB 3.14Å; L211-S214 PolarHBondContact O-N 3.04Å; L211-S214 PolarHBondContact O-OG 3.34Å; S214-Q309 WeakPolarHBondContact CB-O 3.39Å; S214-Q309 PolarHBondContact OG-O 2.78Å | ||
| 215 | E | 83.8 | Confident | 82.2 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | trans | -84.6 | 111.6 | 172.6 | -174.6 | -178.1 | -172.8 | 0 | 0 | 109.9 | K308 Q309 | E215-K308 HydrophobicContact CB-CB 4.28Å; E215-K308 PolarHBondContact N-O 3.12Å; E215-K308 WeakPolarHBondContact OE2-CD 3.43Å; E215-Q309 WeakPolarHBondContact O-CA 3.36Å; E215-Q309 WeakPolarHBondContact O-CG 3.5Å | ||
| 216 | I | 82.2 | Confident | 81.8 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | trans | -112 | 126.2 | -175.3 | -54.8 | -179.3 | 0 | 0 | 0 | 109.9 | R210 N220 | R210-I216 HydrophobicContact CG-CD1 3.95Å; I216-N220 HydrophobicContact CG2-CB 4.25Å | ||
| 217 | P | 82.7 | Confident | 81.2 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 38% | 0.377 | 37% | 0.366 | S | S | . | . | trans | -63.5 | 142.7 | 172.8 | -22.1 | 33.4 | 0 | 0 | 0 | 112.2 | E219 N220 E221 | P217-E219 PolarHBondContact O-N 2.91Å; P217-N220 HydrophobicContact CB-CB 4.47Å; P217-N220 CarbonylContact O-C 3.6Å; P217-N220 WeakPolarHBondContact O-CA 3.48Å; P217-N220 WeakPolarHBondContact O-CB 3.43Å; P217-N220 PolarHBondContact O-N 3.32Å; P217-E221 PolarHBondContact O-N 3.02Å | ||
| 218 | R | 78.4 | Confident | 80.7 | Confident | 220 Ų | 220 | 75.3 Ų | 75.3 | 83% | 0.83 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -53.6 | -38.8 | 179.7 | -68.9 | -174.9 | 175.4 | 170.2 | -1 | 113.6 | N220 E221 | R218-N220 PolarHBondContact O-N 2.86Å; R218-E221 WeakPolarHBondContact CA-OE1 3.23Å; R218-E221 WeakPolarHBondContact CG-OE1 3.13Å; R218-E221 PolarHBondContact O-N 2.93Å |
| 219 | E | 74.4 | Confident | 80.3 | Confident | 191 Ų | 191 | 75.6 Ų | 75.6 | 89% | 0.893 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -62.2 | -23 | 177.4 | -64.5 | 171.4 | -151.5 | 0 | 0 | 113 | P217 | P217-E219 PolarHBondContact O-N 2.91Š|
| 220 | N | 78 | Confident | 79.7 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -106 | 4.1 | -177.3 | -64 | -4.6 | 0 | 0 | 0 | 113.2 | R210 I216 P217 R218 G222 D223 Q309 | R210-N220 PolarHBondContact NH2-O 3.26Å; I216-N220 HydrophobicContact CG2-CB 4.25Å; P217-N220 HydrophobicContact CB-CB 4.47Å; P217-N220 CarbonylContact O-C 3.6Å; P217-N220 WeakPolarHBondContact O-CA 3.48Å; P217-N220 WeakPolarHBondContact O-CB 3.43Å; P217-N220 PolarHBondContact O-N 3.32Å; R218-N220 PolarHBondContact O-N 2.86Å; N220-G222 VanDerWaalsContact C-N 3.31Å; N220-G222 PolarHBondContact O-N 3.47Å; N220-D223 WeakPolarHBondContact CA-OD2 3.02Å; N220-D223 WeakPolarHBondContact CB-OD2 3.4Å; N220-D223 WeakPolarHBondContact O-CB 3.27Å; N220-D223 PolarHBondContact O-N 3.08Å; N220-D223 VanDerWaalsContact O-N 3.15Å; N220-Q309 PolarHBondContact ND2-OE1 3.2Å |
| 221 | E | 73.7 | Confident | 79.1 | Confident | 115 Ų | 115 | 73.3 Ų | 73.3 | 54% | 0.537 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -45.1 | -175.2 | -82.8 | 175.5 | -156 | 0 | 0 | 111.9 | R210 P217 R218 D223 | R210-E221 PolarHBondContact NH1-O 3.47Å; R210-E221 PolarHBondContact NH2-O 3.27Å; R210-E221 VanDerWaalsContact NH2-O 3.16Å; P217-E221 PolarHBondContact O-N 3.02Å; R218-E221 WeakPolarHBondContact CA-OE1 3.23Å; R218-E221 WeakPolarHBondContact CG-OE1 3.13Å; R218-E221 PolarHBondContact O-N 2.93Å; E221-D223 VanDerWaalsContact C-N 3.35Å; E221-D223 PolarHBondContact O-N 3.13Å |
| 222 | G | 72.9 | Confident | 78.5 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 80% | 0.804 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 4.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | N220 | N220-G222 VanDerWaalsContact C-N 3.31Å; N220-G222 PolarHBondContact O-N 3.47Å |
| 223 | D | 78.7 | Confident | 78.1 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 15% | 0.15 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -66.2 | 140.8 | 171.8 | -80.2 | -60.6 | 0 | 0 | 0 | 111.7 | R118 L206 R210 N220 E221 | R118-D223 IonicContact CZ-OD1 3.16Å; R118-D223 IonicContact CZ-OD2 2.79Å; R118-D223 IonicContact NH1-OD1 3.55Å; R118-D223 PolarHBondContact NH1-OD1 2.84Å; R118-D223 IonicContact NH1-OD2 3.5Å; R118-D223 PolarHBondContact NH1-OD2 2.98Å; L206-D223 HydrophobicContact CD2-CB 4.14Å; R210-D223 PolarHBondContact NH2-O 2.87Å; N220-D223 WeakPolarHBondContact CA-OD2 3.02Å; N220-D223 WeakPolarHBondContact CB-OD2 3.4Å; N220-D223 WeakPolarHBondContact O-CB 3.27Å; N220-D223 PolarHBondContact O-N 3.08Å; N220-D223 VanDerWaalsContact O-N 3.15Å; E221-D223 VanDerWaalsContact C-N 3.35Å; E221-D223 PolarHBondContact O-N 3.13Å |
| 224 | L | 80.4 | Confident | 77.4 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | trans | -73 | 138.8 | 172.5 | -148.3 | 94.6 | 0 | 0 | 0 | 110.9 | I125 L206 Q228 I229 | I125-L224 HydrophobicContact CB-CD2 3.92Å; I125-L224 HydrophobicContact CD1-CD2 3.27Å; I125-L224 HydrophobicContact CG1-CD2 4.16Å; I125-L224 HydrophobicContact CG2-CD2 3.73Å; L206-L224 VanDerWaalsContact CD2-O 3.28Å; L206-L224 WeakPolarHBondContact CD2-O 3.22Å; L224-Q228 HydrophobicContact CD1-CB 4.09Å; L224-Q228 VanDerWaalsContact CD1-OE1 3.26Å; L224-Q228 HydrophobicContact CG-CB 4.02Å; L224-I229 HydrophobicContact CD2-CD1 4.38Å; L224-I229 HydrophobicContact CD2-CG1 3.91Å | ||
| 225 | S | 78.2 | Confident | 76.5 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.007 | 40% | 0.399 | C | S | . | . | trans | -125.9 | 167 | 175 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | R210 D227 Q228 | R210-S225 WeakPolarHBondContact CD-OG 3.27Å; R210-S225 WeakPolarHBondContact CG-OG 3.5Å; R210-S225 PolarHBondContact NE-OG 3.49Å; S225-D227 WeakPolarHBondContact CB-OD1 3.19Å; S225-D227 PolarHBondContact O-N 2.82Å; S225-D227 VanDerWaalsContact O-N 3.08Å; S225-D227 VanDerWaalsContact OG-CG 3.24Å; S225-D227 PolarHBondContact OG-OD1 3.05Å; S225-D227 PolarHBondContact OG-OD2 3.34Å; S225-D227 VanDerWaalsContact OG-OD2 3.09Å; S225-Q228 WeakPolarHBondContact O-CB 3.42Å; S225-Q228 PolarHBondContact O-N 3.27Å | ||
| 226 | L | 83.1 | Confident | 75.7 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 5% | 0.047 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -58.3 | -28.4 | -170.2 | -161.1 | 76.5 | 0 | 0 | 0 | 114.3 | S208 R209 Q228 I229 P261 L264 A265 | S208-L226 WeakPolarHBondContact O-CB 3.18Å; S208-L226 PolarHBondContact O-N 2.93Å; R209-L226 HydrophobicContact CG-CB 4.01Å; R209-L226 HydrophobicContact CG-CD2 3.88Å; R209-L226 HydrophobicContact CG-CG 4.39Å; L226-Q228 VanDerWaalsContact C-N 3.26Å; L226-Q228 PolarHBondContact O-N 3.03Å; L226-I229 HydrophobicContact CD1-CD1 4.21Å; L226-I229 PolarHBondContact O-N 3.49Å; L226-P261 HydrophobicContact CD1-CB 4.16Å; L226-P261 HydrophobicContact CG-CB 4.3Å; L226-L264 HydrophobicContact CD1-CB 3.7Å; L226-L264 HydrophobicContact CD1-CD1 4.16Å; L226-A265 HydrophobicContact CD2-CB 3.92Å |
| 227 | D | 78.2 | Confident | 75 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -66.5 | -19.3 | 174.3 | 46.1 | -73.2 | 0 | 0 | 0 | 114.5 | R210 S225 | R210-D227 PolarHBondContact N-OD1 3.26Å; S225-D227 WeakPolarHBondContact CB-OD1 3.19Å; S225-D227 PolarHBondContact O-N 2.82Å; S225-D227 VanDerWaalsContact O-N 3.08Å; S225-D227 VanDerWaalsContact OG-CG 3.24Å; S225-D227 PolarHBondContact OG-OD1 3.05Å; S225-D227 PolarHBondContact OG-OD2 3.34Å; S225-D227 VanDerWaalsContact OG-OD2 3.09Å |
| 228 | Q | 79 | Confident | 74.1 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 41% | 0.407 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -98.6 | 5.9 | -179.3 | -58 | 176.3 | 0.5 | 0 | 0 | 113 | L224 S225 L226 | L224-Q228 HydrophobicContact CD1-CB 4.09Å; L224-Q228 VanDerWaalsContact CD1-OE1 3.26Å; L224-Q228 HydrophobicContact CG-CB 4.02Å; S225-Q228 WeakPolarHBondContact O-CB 3.42Å; S225-Q228 PolarHBondContact O-N 3.27Å; L226-Q228 VanDerWaalsContact C-N 3.26Å; L226-Q228 PolarHBondContact O-N 3.03Å |
| 229 | I | 80 | Confident | 73.4 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -102.1 | 122.6 | -175.3 | -49 | -171.4 | 0 | 0 | 0 | 110.1 | I125 L224 L226 V231 P261 L264 | I125-I229 HydrophobicContact CD1-CD1 3.56Å; I125-I229 HydrophobicContact CD1-CG1 3.89Å; I125-I229 HydrophobicContact CD1-CG2 4.34Å; L224-I229 HydrophobicContact CD2-CD1 4.38Å; L224-I229 HydrophobicContact CD2-CG1 3.91Å; L226-I229 HydrophobicContact CD1-CD1 4.21Å; L226-I229 PolarHBondContact O-N 3.49Å; I229-V231 PolarHBondContact O-N 2.91Å; I229-P261 HydrophobicContact CB-CG 3.99Å; I229-P261 HydrophobicContact CG2-CG 3.82Å; I229-L264 HydrophobicContact CD1-CD1 3.58Å |
| 230 | P | 75.3 | Confident | 73.1 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 26% | 0.26 | 32% | 0.323 | S | S | . | . | trans | -56.4 | 132.2 | 179.4 | -27.8 | 36 | 0 | 0 | 0 | 113.8 | I129 I130 L232 | I129-P230 HydrophobicContact CG2-CB 4.22Å; I129-P230 HydrophobicContact CG2-CG 4.06Å; I130-P230 HydrophobicContact CG1-CG 4.29Å; P230-L232 PolarHBondContact O-N 3.31Å | ||
| 231 | V | 73 | Confident | 72.5 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | trans | -86.6 | 97.4 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | I229 P261 | I229-V231 PolarHBondContact O-N 2.91Å; V231-P261 HydrophobicContact CG2-CG 4.31Å | ||
| 232 | L | 70.2 | Confident | 72.1 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | trans | -81 | 134.7 | 172.6 | -59.9 | 173 | 0 | 0 | 0 | 110.9 | V134 P230 L237 I240 V256 | V134-L232 HydrophobicContact CG1-CD1 4.28Å; P230-L232 PolarHBondContact O-N 3.31Å; L232-L237 HydrophobicContact CB-CD1 3.78Å; L232-L237 HydrophobicContact CB-CD2 4.38Å; L232-L237 HydrophobicContact CB-CG 3.82Å; L232-L237 HydrophobicContact CD1-CD2 4.12Å; L232-L237 HydrophobicContact CD1-CG 4.38Å; L232-L237 WeakPolarHBondContact O-CD1 3.26Å; L232-I240 HydrophobicContact CD1-CD1 4.24Å; L232-V256 HydrophobicContact CD1-CG1 4.05Å | ||
| 233 | T | 71.1 | Confident | 71.8 | Confident | 64 Ų | 64 | 56 Ų | 56 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | trans | -76.5 | 157.6 | 174.3 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | T235 Q236 L237 | T233-T235 PolarHBondContact O-N 3.39Å; T233-T235 PolarHBondContact OG1-N 2.84Å; T233-T235 PolarHBondContact OG1-OG1 3.2Å; T233-Q236 PolarHBondContact O-N 3.43Å; T233-Q236 WeakPolarHBondContact OG1-CB 3.1Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.44Å; T233-Q236 PolarHBondContact OG1-N 3.25Å; T233-Q236 PolarHBondContact OG1-OE1 3.16Å; T233-L237 WeakPolarHBondContact O-CB 3.34Å; T233-L237 VanDerWaalsContact O-CD1 3.29Å; T233-L237 WeakPolarHBondContact O-CD1 3.45Å; T233-L237 WeakPolarHBondContact O-CG 3.26Å; T233-L237 PolarHBondContact O-N 2.93Å | ||
| 234 | N | 66.8 | Low | 71.2 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 62% | 0.615 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.3 | -29.6 | 174.4 | -77.9 | -42.1 | 0 | 0 | 0 | 113 | Q238 R260 | N234-Q238 VanDerWaalsContact O-CB 3.29Å; N234-Q238 WeakPolarHBondContact O-CB 3.45Å; N234-Q238 PolarHBondContact O-N 3.41Å; N234-R260 PolarHBondContact OD1-NH1 3.25Å |
| 235 | T | 65.8 | Low | 70.4 | Confident | 110 Ų | 110 | 59.3 Ų | 59.3 | 68% | 0.675 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.5 | -40.2 | 175.5 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | T233 Q238 A239 | T233-T235 PolarHBondContact O-N 3.39Å; T233-T235 PolarHBondContact OG1-N 2.84Å; T233-T235 PolarHBondContact OG1-OG1 3.2Å; T235-Q238 PolarHBondContact O-N 2.96Å; T235-A239 WeakPolarHBondContact O-CB 3.28Å; T235-A239 PolarHBondContact O-N 2.96Å |
| 236 | Q | 67.6 | Low | 69.5 | Low | 78 Ų | 78 | 59.3 Ų | 59.3 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -50.6 | 170 | -74 | 167.7 | -29.3 | 0 | 0 | 110 | T233 Q238 A239 I240 | T233-Q236 PolarHBondContact O-N 3.43Å; T233-Q236 WeakPolarHBondContact OG1-CB 3.1Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.44Å; T233-Q236 PolarHBondContact OG1-N 3.25Å; T233-Q236 PolarHBondContact OG1-OE1 3.16Å; Q236-Q238 VanDerWaalsContact C-N 3.3Å; Q236-Q238 PolarHBondContact O-N 3.13Å; Q236-A239 PolarHBondContact O-N 3.41Å; Q236-I240 HydrophobicContact CB-CD1 4.38Å; Q236-I240 WeakPolarHBondContact O-CB 3.45Å; Q236-I240 VanDerWaalsContact O-CD1 3.27Å; Q236-I240 WeakPolarHBondContact O-CD1 3.41Å; Q236-I240 WeakPolarHBondContact O-CG1 3.26Å; Q236-I240 PolarHBondContact O-N 2.89Å |
| 237 | L | 67.3 | Low | 68.3 | Low | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 178.1 | -78.9 | 148.6 | 0 | 0 | 0 | 112.7 | L232 T233 L241 V256 | L232-L237 HydrophobicContact CB-CD1 3.78Å; L232-L237 HydrophobicContact CB-CD2 4.38Å; L232-L237 HydrophobicContact CB-CG 3.82Å; L232-L237 HydrophobicContact CD1-CD2 4.12Å; L232-L237 HydrophobicContact CD1-CG 4.38Å; L232-L237 WeakPolarHBondContact O-CD1 3.26Å; T233-L237 WeakPolarHBondContact O-CB 3.34Å; T233-L237 VanDerWaalsContact O-CD1 3.29Å; T233-L237 WeakPolarHBondContact O-CD1 3.45Å; T233-L237 WeakPolarHBondContact O-CG 3.26Å; T233-L237 PolarHBondContact O-N 2.93Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.39Å; L237-V256 HydrophobicContact CD2-CB 4.31Å; L237-V256 HydrophobicContact CD2-CG1 3.61Å |
| 238 | Q | 63.6 | Low | 67.1 | Low | 98 Ų | 98 | 55.6 Ų | 55.6 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -49 | 174.7 | -172.9 | 64.8 | 19.8 | 0 | 0 | 111.3 | N234 T235 Q236 I240 L241 E242 | N234-Q238 VanDerWaalsContact O-CB 3.29Å; N234-Q238 WeakPolarHBondContact O-CB 3.45Å; N234-Q238 PolarHBondContact O-N 3.41Å; T235-Q238 PolarHBondContact O-N 2.96Å; Q236-Q238 VanDerWaalsContact C-N 3.3Å; Q236-Q238 PolarHBondContact O-N 3.13Å; Q238-I240 VanDerWaalsContact C-N 3.33Å; Q238-I240 PolarHBondContact O-N 2.96Å; Q238-L241 PolarHBondContact O-N 3.4Å; Q238-L241 VanDerWaalsContact O-N 3.15Å; Q238-E242 HydrophobicContact CG-CG 4.44Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.4Å; Q238-E242 PolarHBondContact NE2-OE1 2.85Å; Q238-E242 WeakPolarHBondContact O-CB 3.18Å; Q238-E242 WeakPolarHBondContact O-CG 3.48Å; Q238-E242 PolarHBondContact O-N 3.39Å |
| 239 | A | 64.8 | Low | 65.9 | Low | 46 Ų | 46 | 52.1 Ų | 52.1 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T235 Q236 A243 | T235-A239 WeakPolarHBondContact O-CB 3.28Å; T235-A239 PolarHBondContact O-N 2.96Å; Q236-A239 PolarHBondContact O-N 3.41Å; A239-A243 VanDerWaalsContact O-CB 3.3Å; A239-A243 WeakPolarHBondContact O-CB 3.34Å; A239-A243 PolarHBondContact O-N 3.29Å |
| 240 | I | 67.5 | Low | 64.4 | Low | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 172.5 | -66.3 | 154.7 | 0 | 0 | 0 | 109.3 | V134 I142 L232 Q236 Q238 E242 A243 S244 | V134-I240 HydrophobicContact CG1-CD1 3.38Å; V134-I240 HydrophobicContact CG1-CG1 3.94Å; V134-I240 HydrophobicContact CG1-CG2 4.33Å; I142-I240 HydrophobicContact CG1-CG2 4.28Å; L232-I240 HydrophobicContact CD1-CD1 4.24Å; Q236-I240 HydrophobicContact CB-CD1 4.38Å; Q236-I240 WeakPolarHBondContact O-CB 3.45Å; Q236-I240 VanDerWaalsContact O-CD1 3.27Å; Q236-I240 WeakPolarHBondContact O-CD1 3.41Å; Q236-I240 WeakPolarHBondContact O-CG1 3.26Å; Q236-I240 PolarHBondContact O-N 2.89Å; Q238-I240 VanDerWaalsContact C-N 3.33Å; Q238-I240 PolarHBondContact O-N 2.96Å; I240-E242 PolarHBondContact O-N 3.45Å; I240-A243 PolarHBondContact O-N 3.33Å; I240-S244 VanDerWaalsContact O-CB 3.3Å; I240-S244 WeakPolarHBondContact O-CB 3.27Å; I240-S244 PolarHBondContact O-N 2.89Å; I240-S244 PolarHBondContact O-OG 3.43Å |
| 241 | L | 66.3 | Low | 63.1 | Low | 43 Ų | 43 | 54.7 Ų | 54.7 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | -179.8 | -71.6 | 169 | 0 | 0 | 0 | 112.7 | L237 Q238 A243 S244 P254 | L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.39Å; Q238-L241 PolarHBondContact O-N 3.4Å; Q238-L241 VanDerWaalsContact O-N 3.15Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 3.27Å; L241-S244 PolarHBondContact O-N 3.08Å; L241-P254 HydrophobicContact CD1-CG 4.2Å; L241-P254 HydrophobicContact CD2-CB 3.78Å; L241-P254 HydrophobicContact CD2-CG 3.74Å |
| 242 | E | 65 | Low | 61.8 | Low | 142 Ų | 142 | 57.4 Ų | 57.4 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.3 | -32.1 | 178.2 | -73.8 | 171.2 | 173.9 | 0 | 0 | 112.8 | Q238 I240 | Q238-E242 HydrophobicContact CG-CG 4.44Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.4Å; Q238-E242 PolarHBondContact NE2-OE1 2.85Å; Q238-E242 WeakPolarHBondContact O-CB 3.18Å; Q238-E242 WeakPolarHBondContact O-CG 3.48Å; Q238-E242 PolarHBondContact O-N 3.39Å; I240-E242 PolarHBondContact O-N 3.45Å |
| 243 | A | 66.7 | Low | 60.7 | Low | 43 Ų | 43 | 61.5 Ų | 61.5 | 36% | 0.355 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -89.2 | -7.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G139 A239 I240 L241 | G139-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 VanDerWaalsContact O-CB 3.3Å; A239-A243 WeakPolarHBondContact O-CB 3.34Å; A239-A243 PolarHBondContact O-N 3.29Å; I240-A243 PolarHBondContact O-N 3.33Å; L241-A243 VanDerWaalsContact C-N 3.33Å; L241-A243 PolarHBondContact O-N 3.27Å |
| 244 | S | 64.7 | Low | 59.8 | Low | 19 Ų | 19 | 59.1 Ų | 59.1 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | trans | -85.3 | 131.1 | -174.3 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | I142 I240 L241 S249 | I142-S244 PolarHBondContact N-OG 3.47Å; I142-S244 WeakPolarHBondContact O-CA 3.42Å; I240-S244 VanDerWaalsContact O-CB 3.3Å; I240-S244 WeakPolarHBondContact O-CB 3.27Å; I240-S244 PolarHBondContact O-N 2.89Å; I240-S244 PolarHBondContact O-OG 3.43Å; L241-S244 PolarHBondContact O-N 3.08Å; S244-S249 WeakPolarHBondContact CB-OG 3.45Å | ||
| 245 | T | 63.3 | Low | 59.3 | Low | 99 Ų | 99 | 53.7 Ų | 53.7 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | trans | -93.2 | -10.7 | 172.1 | 55 | 0 | 0 | 0 | 0 | 113.1 | I142 I143 A144 | I142-T245 PolarHBondContact O-N 2.9Å; I142-T245 VanDerWaalsContact O-N 3.08Å; I143-T245 WeakPolarHBondContact CA-OG1 3.36Å; A144-T245 PolarHBondContact N-OG1 3.28Å | ||
| 246 | A | 60.5 | Low | 58.9 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -66.3 | 145.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I142 D149 S248 S249 A250 | I142-A246 HydrophobicContact CB-CB 4.32Å; I142-A246 HydrophobicContact CG2-CB 3.91Å; I142-A246 WeakPolarHBondContact O-CB 3.5Å; I142-A246 PolarHBondContact O-N 2.83Å; I142-A246 VanDerWaalsContact O-N 3.15Å; D149-A246 HydrophobicContact CB-CB 4.21Å; D149-A246 WeakPolarHBondContact OD1-CB 3.31Å; A246-S248 WeakPolarHBondContact CB-OG 3.28Å; A246-S248 PolarHBondContact O-N 2.64Å; A246-S249 PolarHBondContact O-N 2.75Å; A246-S249 VanDerWaalsContact O-N 3.16Å; A246-S249 PolarHBondContact O-OG 3.35Å; A246-A250 PolarHBondContact O-N 2.73Å; A246-A250 VanDerWaalsContact O-N 3.11Å | ||
| 247 | A | 57.3 | Low | 58.5 | Low | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S249 A250 T933 L936 Y940 | A247-S249 PolarHBondContact O-N 3.09Å; A247-A250 PolarHBondContact O-N 3.16Å; A247-T933 WeakPolarHBondContact CB-OG1 3.32Å; A247-L936 HydrophobicContact CB-CD1 3.72Å; A247-L936 HydrophobicContact CB-CG 4.16Å; A247-Y940 HydrophobicContact CB-CE2 4.38Å |
| 248 | S | 54.1 | Low | 58.2 | Low | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.9 | 171.2 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | D149 A246 P254 G255 | D149-S248 VanDerWaalsContact OD1-CB 3.28Å; D149-S248 WeakPolarHBondContact OD1-CB 3.32Å; D149-S248 PolarHBondContact OD1-OG 3.14Å; A246-S248 WeakPolarHBondContact CB-OG 3.28Å; A246-S248 PolarHBondContact O-N 2.64Å; S248-P254 CarbonylContact O-C 3.53Å; S248-P254 VanDerWaalsContact O-CA 3.26Å; S248-P254 WeakPolarHBondContact O-CA 3.46Å; S248-G255 PolarHBondContact O-N 2.93Å |
| 249 | S | 52.5 | Low | 58.6 | Low | 15 Ų | 15 | 44.3 Ų | 44.3 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -25.1 | 168.9 | 34.1 | 0 | 0 | 0 | 0 | 114.1 | S244 A246 A247 T251 | S244-S249 WeakPolarHBondContact CB-OG 3.45Å; A246-S249 PolarHBondContact O-N 2.75Å; A246-S249 VanDerWaalsContact O-N 3.16Å; A246-S249 PolarHBondContact O-OG 3.35Å; A247-S249 PolarHBondContact O-N 3.09Å; S249-T251 PolarHBondContact O-N 3.21Å |
| 250 | A | 49.9 | Very low | 59.1 | Low | 76 Ų | 76 | 45 Ų | 45 | 63% | 0.628 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -76.1 | 12.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | A246 A247 | A246-A250 PolarHBondContact O-N 2.73Å; A246-A250 VanDerWaalsContact O-N 3.11Å; A247-A250 PolarHBondContact O-N 3.16Å |
| 251 | T | 48.2 | Very low | 59.7 | Low | 26 Ų | 26 | 45.3 Ų | 45.3 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -134.5 | 151.8 | 174.3 | 49.7 | 0 | 0 | 0 | 0 | 111 | R156 S249 L253 P254 L936 | R156-T251 PolarHBondContact NH1-OG1 2.96Å; S249-T251 PolarHBondContact O-N 3.21Å; T251-L253 CarbonylContact O-C 3.35Å; T251-L253 PolarHBondContact O-N 2.86Å; T251-P254 WeakPolarHBondContact O-CD 3.36Å; T251-L936 HydrophobicContact CG2-CD1 3.78Å; T251-L936 HydrophobicContact CG2-CD2 3.78Å; T251-L936 HydrophobicContact CG2-CG 4.4Å; T251-L936 WeakPolarHBondContact OG1-CD2 3.16Å |
| 252 | L | 44.7 | Very low | 60.5 | Low | 179 Ų | 179 | 49.9 Ų | 49.9 | 94% | 0.937 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -64.4 | 12.9 | -174.1 | -73.5 | 165.5 | 0 | 0 | 0 | 115.9 | ||
| 253 | L | 46.7 | Very low | 61.2 | Low | 115 Ų | 115 | 49.6 Ų | 49.6 | 60% | 0.602 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -129.2 | 71.1 | 166.1 | -70.6 | 168.8 | 0 | 0 | 0 | 109.4 | R156 T251 | R156-L253 PolarHBondContact NH1-O 3.22Å; T251-L253 CarbonylContact O-C 3.35Å; T251-L253 PolarHBondContact O-N 2.86Å |
| 254 | P | 52.3 | Low | 62.1 | Low | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -62.2 | 144.4 | -175.6 | -23.5 | 34 | 0 | 0 | 0 | 112.6 | L241 S248 T251 V256 C257 L258 | L241-P254 HydrophobicContact CD1-CG 4.2Å; L241-P254 HydrophobicContact CD2-CB 3.78Å; L241-P254 HydrophobicContact CD2-CG 3.74Å; S248-P254 CarbonylContact O-C 3.53Å; S248-P254 VanDerWaalsContact O-CA 3.26Å; S248-P254 WeakPolarHBondContact O-CA 3.46Å; T251-P254 WeakPolarHBondContact O-CD 3.36Å; P254-V256 VanDerWaalsContact C-N 3.25Å; P254-V256 PolarHBondContact O-N 3.41Å; P254-C257 HydrophobicContact CB-CB 4.09Å; P254-C257 HydrophobicContact CG-CB 4.29Å; P254-C257 WeakPolarHBondContact O-CA 3.49Å; P254-C257 WeakPolarHBondContact O-CB 3.4Å; P254-C257 PolarHBondContact O-N 2.72Å; P254-L258 PolarHBondContact O-N 3.02Å | ||
| 255 | G | 55.7 | Low | 63.2 | Low | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S248 C257 L258 | S248-G255 PolarHBondContact O-N 2.93Å; G255-C257 PolarHBondContact O-N 2.95Å; G255-L258 PolarHBondContact O-N 2.73Å; G255-L258 VanDerWaalsContact O-N 3.12Å |
| 256 | V | 58.4 | Low | 64.3 | Low | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -26.2 | 173.7 | -160.4 | 0 | 0 | 0 | 0 | 112.8 | I142 L152 L232 L237 P254 | I142-V256 HydrophobicContact CD1-CG2 3.45Å; I142-V256 VanDerWaalsContact CD1-CG2 3.45Å; L152-V256 HydrophobicContact CD1-CG2 3.92Å; L232-V256 HydrophobicContact CD1-CG1 4.05Å; L237-V256 HydrophobicContact CD2-CB 4.31Å; L237-V256 HydrophobicContact CD2-CG1 3.61Å; P254-V256 VanDerWaalsContact C-N 3.25Å; P254-V256 PolarHBondContact O-N 3.41Å |
| 257 | C | 59.3 | Low | 65.5 | Low | 25 Ų | 25 | 47.6 Ų | 47.6 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -81.7 | -20.1 | 179 | -70.9 | 0 | 0 | 0 | 0 | 113.8 | P254 G255 R260 | P254-C257 HydrophobicContact CB-CB 4.09Å; P254-C257 HydrophobicContact CG-CB 4.29Å; P254-C257 WeakPolarHBondContact O-CA 3.49Å; P254-C257 WeakPolarHBondContact O-CB 3.4Å; P254-C257 PolarHBondContact O-N 2.72Å; G255-C257 PolarHBondContact O-N 2.95Å; C257-R260 PolarHBondContact SG-NH2 2.98Å |
| 258 | L | 61 | Low | 66.9 | Low | 60 Ų | 60 | 47.4 Ų | 47.4 | 31% | 0.314 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -76.3 | -41.5 | 173.4 | -62.5 | 173.9 | 0 | 0 | 0 | 110.9 | F155 R156 P254 G255 R260 L264 | F155-L258 HydrophobicContact CE1-CB 4.44Å; R156-L258 HydrophobicContact CB-CD1 3.74Å; R156-L258 HydrophobicContact CG-CD1 3.46Å; R156-L258 VanDerWaalsContact CG-CD1 3.46Å; P254-L258 PolarHBondContact O-N 3.02Å; G255-L258 PolarHBondContact O-N 2.73Å; G255-L258 VanDerWaalsContact O-N 3.12Å; L258-R260 PolarHBondContact O-N 3.45Å; L258-L264 WeakPolarHBondContact O-CD2 3.44Å |
| 259 | V | 71.9 | Confident | 68.6 | Low | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -82.5 | 26.3 | -178.7 | -156.7 | 0 | 0 | 0 | 0 | 112.6 | I125 I129 L152 F155 | I125-V259 HydrophobicContact CD1-CG1 3.77Å; I125-V259 HydrophobicContact CG1-CG1 3.38Å; I129-V259 HydrophobicContact CD1-CB 3.92Å; I129-V259 HydrophobicContact CD1-CG1 3.66Å; L152-V259 HydrophobicContact CD2-CG2 3.93Å; F155-V259 HydrophobicContact CD1-CG2 3.71Å; F155-V259 HydrophobicContact CE1-CG2 3.74Å |
| 260 | R | 75.8 | Confident | 70.2 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | trans | -81.5 | 130.7 | 173.5 | -70.8 | 178.1 | -178.9 | -146.3 | 5.9 | 109.3 | N234 C257 L258 H262 R263 L264 | N234-R260 PolarHBondContact OD1-NH1 3.25Å; C257-R260 PolarHBondContact SG-NH2 2.98Å; L258-R260 PolarHBondContact O-N 3.45Å; R260-H262 PolarHBondContact O-N 3.38Å; R260-R263 HydrophobicContact CB-CB 4.21Å; R260-R263 HydrophobicContact CB-CG 4.18Å; R260-R263 PolarHBondContact O-N 2.7Å; R260-L264 WeakPolarHBondContact O-CG 3.22Å; R260-L264 PolarHBondContact O-N 3.42Å | ||
| 261 | P | 80 | Confident | 72 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -52.5 | -34.9 | 177.7 | -28.8 | 34.8 | 0 | 0 | 0 | 114.1 | L226 I229 V231 A265 | L226-P261 HydrophobicContact CD1-CB 4.16Å; L226-P261 HydrophobicContact CG-CB 4.3Å; I229-P261 HydrophobicContact CB-CG 3.99Å; I229-P261 HydrophobicContact CG2-CG 3.82Å; V231-P261 HydrophobicContact CG2-CG 4.31Å; P261-A265 VanDerWaalsContact O-CB 3.31Å; P261-A265 WeakPolarHBondContact O-CB 3.31Å; P261-A265 PolarHBondContact O-N 2.91Å |
| 262 | H | 81.9 | Confident | 74.1 | Confident | 139 Ų | 139 | 49.5 Ų | 49.5 | 64% | 0.644 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.9 | -40.2 | 176 | -159.1 | -72.5 | 0 | 0 | 0 | 113 | R260 A265 E266 | R260-H262 PolarHBondContact O-N 3.38Å; H262-A265 PolarHBondContact O-N 3.25Å; H262-E266 IonicContact CE1-OE1 4Å; H262-E266 PolarHBondContact CE1-OE1 2.84Å; H262-E266 IonicContact CG-OE1 2.72Å; H262-E266 IonicContact ND1-OE1 3.82Å; H262-E266 PolarHBondContact ND1-OE1 2.99Å; H262-E266 VanDerWaalsContact O-CG 3.28Å; H262-E266 WeakPolarHBondContact O-CG 3.41Å; H262-E266 PolarHBondContact O-N 3.18Å |
| 263 | R | 81.1 | Confident | 76.1 | Confident | 136 Ų | 136 | 44.7 Ų | 44.7 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.4 | -38.5 | 179.6 | -73.1 | -56.3 | -160.4 | -169.4 | 2.1 | 112.2 | R260 E266 E267 | R260-R263 HydrophobicContact CB-CB 4.21Å; R260-R263 HydrophobicContact CB-CG 4.18Å; R260-R263 PolarHBondContact O-N 2.7Å; R263-E266 VanDerWaalsContact CD-OE2 3.27Å; R263-E266 WeakPolarHBondContact CD-OE2 3.33Å; R263-E266 IonicContact CZ-OE2 2.65Å; R263-E266 IonicContact NE-OE2 2.75Å; R263-E266 IonicContact NH1-OE1 2.7Å; R263-E266 PolarHBondContact NH1-OE1 3.29Å; R263-E266 IonicContact NH1-OE2 2.81Å; R263-E266 PolarHBondContact NH1-OE2 3.01Å; R263-E267 WeakPolarHBondContact O-CB 3.48Å; R263-E267 PolarHBondContact O-N 2.71Å |
| 264 | L | 85.8 | Confident | 77.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 173.7 | -59.3 | 171.9 | 0 | 0 | 0 | 110.1 | H207 L226 I229 L258 R260 E267 A268 | H207-L264 HydrophobicContact CB-CB 4.11Å; H207-L264 WeakPolarHBondContact CB-O 3.24Å; H207-L264 VanDerWaalsContact CE1-CD2 3.43Å; H207-L264 WeakPolarHBondContact CE1-CD2 3.34Å; L226-L264 HydrophobicContact CD1-CB 3.7Å; L226-L264 HydrophobicContact CD1-CD1 4.16Å; I229-L264 HydrophobicContact CD1-CD1 3.58Å; L258-L264 WeakPolarHBondContact O-CD2 3.44Å; R260-L264 WeakPolarHBondContact O-CG 3.22Å; R260-L264 PolarHBondContact O-N 3.42Å; L264-E267 WeakPolarHBondContact O-CB 3.33Å; L264-E267 PolarHBondContact O-N 3.49Å; L264-A268 PolarHBondContact O-N 2.71Å |
| 265 | A | 86.5 | Confident | 79.4 | Confident | 30 Ų | 30 | 38.9 Ų | 38.9 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L226 P261 H262 E267 A268 E269 | L226-A265 HydrophobicContact CD2-CB 3.92Å; P261-A265 VanDerWaalsContact O-CB 3.31Å; P261-A265 WeakPolarHBondContact O-CB 3.31Å; P261-A265 PolarHBondContact O-N 2.91Å; H262-A265 PolarHBondContact O-N 3.25Å; A265-E267 PolarHBondContact O-N 2.94Å; A265-A268 PolarHBondContact O-N 3.17Å; A265-A268 VanDerWaalsContact O-N 3.16Å; A265-E269 PolarHBondContact O-N 3.08Å |
| 266 | E | 85.9 | Confident | 80.6 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54.4 | -37.3 | 173.2 | -75.9 | 166.4 | -143.4 | 0 | 0 | 112 | H262 R263 R270 | H262-E266 IonicContact CE1-OE1 4Å; H262-E266 PolarHBondContact CE1-OE1 2.84Å; H262-E266 IonicContact CG-OE1 2.72Å; H262-E266 IonicContact ND1-OE1 3.82Å; H262-E266 PolarHBondContact ND1-OE1 2.99Å; H262-E266 VanDerWaalsContact O-CG 3.28Å; H262-E266 WeakPolarHBondContact O-CG 3.41Å; H262-E266 PolarHBondContact O-N 3.18Å; R263-E266 VanDerWaalsContact CD-OE2 3.27Å; R263-E266 WeakPolarHBondContact CD-OE2 3.33Å; R263-E266 IonicContact CZ-OE2 2.65Å; R263-E266 IonicContact NE-OE2 2.75Å; R263-E266 IonicContact NH1-OE1 2.7Å; R263-E266 PolarHBondContact NH1-OE1 3.29Å; R263-E266 IonicContact NH1-OE2 2.81Å; R263-E266 PolarHBondContact NH1-OE2 3.01Å; E266-R270 VanDerWaalsContact O-CB 3.3Å; E266-R270 WeakPolarHBondContact O-CB 3.48Å; E266-R270 PolarHBondContact O-N 3.02Å; E266-R270 VanDerWaalsContact O-N 3.1Å; E266-R270 PolarHBondContact O-NH2 2.93Å |
| 267 | E | 85.5 | Confident | 81.5 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.7 | -44.4 | 177.1 | -170.9 | -174.3 | 173.9 | 0 | 0 | 112.1 | K162 H207 R263 L264 A265 E269 R270 L271 | K162-E267 WeakPolarHBondContact CE-OE1 3.48Å; K162-E267 IonicContact NZ-OE1 2.96Å; K162-E267 PolarHBondContact NZ-OE1 3.28Å; H207-E267 IonicContact CE1-OE2 3.75Å; H207-E267 PolarHBondContact CE1-OE2 3.33Å; H207-E267 IonicContact ND1-OE2 3.36Å; H207-E267 PolarHBondContact ND1-OE2 3.28Å; R263-E267 WeakPolarHBondContact O-CB 3.48Å; R263-E267 PolarHBondContact O-N 2.71Å; L264-E267 WeakPolarHBondContact O-CB 3.33Å; L264-E267 PolarHBondContact O-N 3.49Å; A265-E267 PolarHBondContact O-N 2.94Å; E267-E269 VanDerWaalsContact C-N 3.32Å; E267-E269 PolarHBondContact O-N 3.43Å; E267-R270 PolarHBondContact O-N 3.16Å; E267-L271 HydrophobicContact CG-CD1 3.96Å; E267-L271 HydrophobicContact CG-CG 4.29Å; E267-L271 WeakPolarHBondContact O-CB 3.43Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.28Å; E267-L271 PolarHBondContact O-N 3.27Å |
| 268 | A | 88.3 | Confident | 82 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H207 L264 A265 F272 | H207-A268 HydrophobicContact CB-CB 3.81Å; L264-A268 PolarHBondContact O-N 2.71Å; A265-A268 PolarHBondContact O-N 3.17Å; A265-A268 VanDerWaalsContact O-N 3.16Å; A268-F272 WeakPolarHBondContact O-CB 3.26Å; A268-F272 PolarHBondContact O-N 3.39Å |
| 269 | E | 89 | Confident | 82.1 | Confident | 79 Ų | 79 | 39.7 Ų | 39.7 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 178 | -72.6 | -156.3 | -124.3 | 0 | 0 | 112.7 | A265 E267 F272 I273 F313 R316 | A265-E269 PolarHBondContact O-N 3.08Å; E267-E269 VanDerWaalsContact C-N 3.32Å; E267-E269 PolarHBondContact O-N 3.43Å; E269-F272 PolarHBondContact O-N 3.06Å; E269-I273 WeakPolarHBondContact O-CB 3.5Å; E269-I273 WeakPolarHBondContact O-CD1 3.48Å; E269-I273 VanDerWaalsContact O-CG1 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.4Å; E269-I273 PolarHBondContact O-N 3.05Å; E269-F313 HydrophobicContact CG-CE1 4.38Å; E269-R316 IonicContact OE2-CZ 3.24Å; E269-R316 VanDerWaalsContact OE2-CZ 3.28Å; E269-R316 IonicContact OE2-NH1 2.88Å; E269-R316 PolarHBondContact OE2-NH1 3.29Å; E269-R316 IonicContact OE2-NH2 2.83Å; E269-R316 PolarHBondContact OE2-NH2 3.47Å |
| 270 | R | 86.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 42.5 Ų | 42.5 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 179.4 | -163.9 | -168.9 | -46.7 | 106.4 | 14 | 112.3 | E173 E266 E267 F272 I273 G274 | E173-R270 HydrophobicContact CB-CG 4.25Å; E173-R270 WeakPolarHBondContact O-CD 3.39Å; E266-R270 VanDerWaalsContact O-CB 3.3Å; E266-R270 WeakPolarHBondContact O-CB 3.48Å; E266-R270 PolarHBondContact O-N 3.02Å; E266-R270 VanDerWaalsContact O-N 3.1Å; E266-R270 PolarHBondContact O-NH2 2.93Å; E267-R270 PolarHBondContact O-N 3.16Å; R270-F272 VanDerWaalsContact C-N 3.32Å; R270-F272 PolarHBondContact O-N 3.01Å; R270-I273 PolarHBondContact O-N 3.46Å; R270-G274 PolarHBondContact O-N 3.02Å |
| 271 | L | 88.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 174.9 | -68.1 | 178 | 0 | 0 | 0 | 111.5 | V166 L170 I200 V203 I204 E267 G274 L275 | V166-L271 HydrophobicContact CG1-CD2 3.67Å; L170-L271 HydrophobicContact CD1-CD2 4.34Å; I200-L271 HydrophobicContact CG2-CB 4.29Å; V203-L271 HydrophobicContact CB-CD1 4.29Å; V203-L271 HydrophobicContact CG1-CD1 3.62Å; I204-L271 HydrophobicContact CD1-CB 4.09Å; I204-L271 HydrophobicContact CG1-CB 3.95Å; E267-L271 HydrophobicContact CG-CD1 3.96Å; E267-L271 HydrophobicContact CG-CG 4.29Å; E267-L271 WeakPolarHBondContact O-CB 3.43Å; E267-L271 VanDerWaalsContact O-CG 3.27Å; E267-L271 WeakPolarHBondContact O-CG 3.28Å; E267-L271 PolarHBondContact O-N 3.27Å; L271-G274 PolarHBondContact O-N 3.05Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 PolarHBondContact O-N 3.5Å |
| 272 | F | 90.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 173.4 | -177.7 | -81.1 | 0 | 0 | 0 | 111.8 | I204 A268 E269 R270 G274 L275 S276 L303 I306 F313 R316 V317 | I204-F272 HydrophobicContact CD1-CB 4.13Å; A268-F272 WeakPolarHBondContact O-CB 3.26Å; A268-F272 PolarHBondContact O-N 3.39Å; E269-F272 PolarHBondContact O-N 3.06Å; R270-F272 VanDerWaalsContact C-N 3.32Å; R270-F272 PolarHBondContact O-N 3.01Å; F272-G274 VanDerWaalsContact C-N 3.33Å; F272-G274 PolarHBondContact O-N 2.69Å; F272-L275 CarbonylContact O-C 3.59Å; F272-L275 PolarHBondContact O-N 2.89Å; F272-L275 VanDerWaalsContact O-N 3.14Å; F272-S276 WeakPolarHBondContact O-CB 3.2Å; F272-S276 PolarHBondContact O-N 3.31Å; F272-S276 PolarHBondContact O-OG 2.94Å; F272-L303 HydrophobicContact CD2-CD2 4.47Å; F272-L303 HydrophobicContact CE2-CD2 3.77Å; F272-L303 HydrophobicContact CZ-CD2 4.02Å; F272-I306 HydrophobicContact CD2-CG2 4.06Å; F272-I306 HydrophobicContact CE2-CG2 4.01Å; F272-F313 HydrophobicContact CB-CE1 4.28Å; F272-F313 HydrophobicContact CD1-CD1 4.16Å; F272-F313 HydrophobicContact CD2-CB 4.27Å; F272-F313 AromaticContact CD2-CD1 3.85Å; F272-F313 HydrophobicContact CD2-CD1 3.85Å; F272-F313 HydrophobicContact CD2-CE1 4.3Å; F272-F313 AromaticContact CD2-CG 3.97Å; F272-F313 HydrophobicContact CD2-CG 3.97Å; F272-F313 HydrophobicContact CE1-CD1 4.39Å; F272-F313 HydrophobicContact CE2-CB 3.73Å; F272-F313 HydrophobicContact CE2-CD1 4.08Å; F272-F313 AromaticContact CE2-CG 3.95Å; F272-F313 HydrophobicContact CE2-CG 3.95Å; F272-F313 AromaticContact CG-CD1 3.9Å; F272-F313 HydrophobicContact CG-CD1 3.9Å; F272-F313 HydrophobicContact CG-CE1 4.1Å; F272-F313 HydrophobicContact CG-CG 4.48Å; F272-F313 HydrophobicContact CZ-CB 4.03Å; F272-F313 HydrophobicContact CZ-CD1 4.35Å; F272-F313 HydrophobicContact CZ-CG 4.47Å; F272-R316 HydrophobicContact CE1-CB 3.54Å; F272-R316 HydrophobicContact CE1-CG 4.4Å; F272-R316 HydrophobicContact CZ-CB 3.91Å; F272-V317 HydrophobicContact CE2-CG2 3.79Å; F272-V317 HydrophobicContact CZ-CG2 3.62Å |
| 273 | I | 86.3 | Confident | 76.7 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 177 | -70.9 | 161.8 | 0 | 0 | 0 | 111.3 | E269 R270 L275 S276 S277 | E269-I273 WeakPolarHBondContact O-CB 3.5Å; E269-I273 WeakPolarHBondContact O-CD1 3.48Å; E269-I273 VanDerWaalsContact O-CG1 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.4Å; E269-I273 PolarHBondContact O-N 3.05Å; R270-I273 PolarHBondContact O-N 3.46Å; I273-L275 VanDerWaalsContact C-N 3.34Å; I273-S276 PolarHBondContact O-N 3.44Å; I273-S276 PolarHBondContact O-OG 2.92Å; I273-S277 VanDerWaalsContact O-CB 3.25Å; I273-S277 WeakPolarHBondContact O-CB 3.36Å; I273-S277 PolarHBondContact O-N 2.84Å; I273-S277 PolarHBondContact O-OG 2.91Å |
| 274 | G | 82.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | L170 R270 L271 F272 W278 | L170-G274 WeakPolarHBondContact CD2-O 3.42Å; R270-G274 PolarHBondContact O-N 3.02Å; L271-G274 PolarHBondContact O-N 3.05Å; F272-G274 VanDerWaalsContact C-N 3.33Å; F272-G274 PolarHBondContact O-N 2.69Å; G274-W278 PolarHBondContact O-N 2.82Å |
| 275 | L | 85.7 | Confident | 71.7 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.3 | -39.3 | 178 | -170.6 | 66.7 | 0 | 0 | 0 | 112.5 | I197 I204 L271 F272 I273 V299 L303 I306 | I197-L275 HydrophobicContact CG1-CD1 4.47Å; I197-L275 HydrophobicContact CG2-CD1 4.36Å; I204-L275 HydrophobicContact CD1-CD2 4.35Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 PolarHBondContact O-N 3.5Å; F272-L275 CarbonylContact O-C 3.59Å; F272-L275 PolarHBondContact O-N 2.89Å; F272-L275 VanDerWaalsContact O-N 3.14Å; I273-L275 VanDerWaalsContact C-N 3.34Å; L275-V299 HydrophobicContact CD1-CB 4.37Å; L275-V299 HydrophobicContact CD1-CG1 3.95Å; L275-V299 HydrophobicContact CD1-CG2 3.9Å; L275-V299 HydrophobicContact CG-CG1 4.15Å; L275-L303 HydrophobicContact CD2-CD2 4.01Å; L275-L303 HydrophobicContact CD2-CG 4.4Å; L275-L303 HydrophobicContact CG-CD2 4.22Å; L275-I306 HydrophobicContact CD2-CD1 3.9Å |
| 276 | S | 82.7 | Confident | 69 | Low | 22 Ų | 22 | 59.2 Ų | 59.2 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -81.9 | -23.4 | -178 | 73.5 | 0 | 0 | 0 | 0 | 113.8 | F272 I273 P279 | F272-S276 WeakPolarHBondContact O-CB 3.2Å; F272-S276 PolarHBondContact O-N 3.31Å; F272-S276 PolarHBondContact O-OG 2.94Å; I273-S276 PolarHBondContact O-N 3.44Å; I273-S276 PolarHBondContact O-OG 2.92Å; S276-P279 WeakPolarHBondContact O-CD 3.47Å |
| 277 | S | 75.3 | Confident | 66.6 | Low | 31 Ų | 31 | 60.9 Ų | 60.9 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -86.3 | -12.2 | 174.2 | 62 | 0 | 0 | 0 | 0 | 113.8 | I273 V280 R281 | I273-S277 VanDerWaalsContact O-CB 3.25Å; I273-S277 WeakPolarHBondContact O-CB 3.36Å; I273-S277 PolarHBondContact O-N 2.84Å; I273-S277 PolarHBondContact O-OG 2.91Å; S277-V280 PolarHBondContact O-N 3.09Å; S277-R281 PolarHBondContact O-N 3.04Å |
| 278 | W | 70.3 | Confident | 64.6 | Low | 42 Ų | 42 | 63.1 Ų | 63.1 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -56.2 | -42.5 | 179.6 | -129.5 | 72.3 | 0 | 0 | 0 | 113.9 | M169 G274 V280 V291 V295 | M169-W278 HydrophobicContact CE-CH2 3.85Å; M169-W278 HydrophobicContact CE-CZ2 3.56Å; M169-W278 HydrophobicContact CE-CZ3 4.47Å; M169-W278 PolarHBondContact O-NE1 3.03Å; M169-W278 HydrophobicContact SD-CZ2 4.46Å; G274-W278 PolarHBondContact O-N 2.82Å; W278-V280 VanDerWaalsContact C-N 3.27Å; W278-V280 PolarHBondContact O-N 3Å; W278-V291 HydrophobicContact CE3-CB 4.45Å; W278-V291 HydrophobicContact CE3-CG1 4.13Å; W278-V291 HydrophobicContact CE3-CG2 3.72Å; W278-V291 HydrophobicContact CZ3-CB 4.15Å; W278-V291 HydrophobicContact CZ3-CG1 3.95Å; W278-V291 HydrophobicContact CZ3-CG2 3.74Å; W278-V295 HydrophobicContact CE3-CG1 4.3Å; W278-V295 HydrophobicContact CH2-CG1 3.94Å; W278-V295 HydrophobicContact CZ3-CB 4.46Å; W278-V295 HydrophobicContact CZ3-CG1 3.48Å; W278-V295 VanDerWaalsContact CZ3-CG1 3.48Å |
| 279 | P | 63.8 | Low | 62.9 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -70.8 | -20.9 | 174.6 | -17.1 | 31.7 | 0 | 0 | 0 | 114.1 | S276 L296 V324 | S276-P279 WeakPolarHBondContact O-CD 3.47Å; P279-L296 HydrophobicContact CB-CD1 4.07Å; P279-L296 HydrophobicContact CG-CD1 3.84Å; P279-V324 HydrophobicContact CB-CG2 3.49Å; P279-V324 VanDerWaalsContact CB-CG2 3.49Å; P279-V324 HydrophobicContact CG-CG2 3.73Å |
| 280 | V | 58.2 | Low | 61.5 | Low | 63 Ų | 63 | 64.9 Ų | 64.9 | 38% | 0.382 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -94.7 | -10.8 | -169.4 | -162.8 | 0 | 0 | 0 | 0 | 112.4 | S277 W278 G282 T323 | S277-V280 PolarHBondContact O-N 3.09Å; W278-V280 VanDerWaalsContact C-N 3.27Å; W278-V280 PolarHBondContact O-N 3Å; V280-G282 PolarHBondContact O-N 3.01Å; V280-T323 HydrophobicContact CB-CG2 4.26Å; V280-T323 HydrophobicContact CG1-CG2 3.67Å; V280-T323 HydrophobicContact CG2-CG2 3.59Å |
| 281 | R | 54.9 | Low | 60.9 | Low | 131 Ų | 131 | 62.7 Ų | 62.7 | 49% | 0.494 | 37% | 0.374 | S | S | . | . | trans | -77.1 | 56.2 | 174.3 | -70.5 | -167.3 | -174.8 | 176.8 | 7.1 | 112.4 | S172 E173 S277 K283 | S172-R281 PolarHBondContact OG-NH1 3.22Å; S172-R281 PolarHBondContact OG-NH2 3.42Å; E173-R281 IonicContact OE1-NH2 2.66Å; S277-R281 PolarHBondContact O-N 3.04Å; R281-K283 VanDerWaalsContact C-N 3.35Å | ||
| 282 | G | 45.2 | Very low | 60.6 | Low | 60 Ų | 60 | 64.3 Ų | 64.3 | 62% | 0.619 | 38% | 0.384 | S | S | * | . | trans | -83 | 0.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V280 | V280-G282 PolarHBondContact O-N 3.01Š| ||
| 283 | K | 36.7 | Very low | 60.3 | Low | 174 Ų | 174 | 64.8 Ų | 64.8 | 76% | 0.757 | 39% | 0.387 | S | S | * | . | trans | -76 | 125.9 | 176.7 | -68.7 | -164.7 | 174.9 | -169.4 | 0 | 110.2 | R281 S285 | R281-K283 VanDerWaalsContact C-N 3.35Å; K283-S285 PolarHBondContact O-N 2.89Å | ||
| 284 | P | 35.7 | Very low | 60.4 | Low | 142 Ų | 142 | 64.3 Ų | 64.3 | 92% | 0.922 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -74.7 | 10.4 | -171.6 | 29.5 | -36.3 | 0 | 0 | 0 | 115.3 | ||
| 285 | S | 27 | Very low | 60.5 | Low | 82 Ų | 82 | 64.2 Ų | 64.2 | 57% | 0.573 | 39% | 0.388 | S | S | * | . | trans | -98.2 | 133.8 | 174.3 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | K283 | K283-S285 PolarHBondContact O-N 2.89Š| ||
| 286 | M | 30.2 | Very low | 60.7 | Low | 149 Ų | 149 | 64.1 Ų | 64.1 | 73% | 0.734 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 78.2 | 66.5 | 175.8 | -50.4 | -61.3 | 107.4 | 0 | 0 | 117.5 | S288 | M286-S288 VanDerWaalsContact C-N 3.25Å; M286-S288 PolarHBondContact O-N 3.39Å; M286-S288 PolarHBondContact O-OG 3.48Å |
| 287 | S | 34.8 | Very low | 61 | Low | 92 Ų | 92 | 65.3 Ų | 65.3 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | trans | 50.4 | 25.9 | 136.7 | 68.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 288 | S | 43.8 | Very low | 61.6 | Low | 77 Ų | 77 | 64.6 Ų | 64.6 | 54% | 0.538 | 39% | 0.386 | S | S | . | . | trans | -96.7 | 114 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 108.2 | M286 | M286-S288 VanDerWaalsContact C-N 3.25Å; M286-S288 PolarHBondContact O-N 3.39Å; M286-S288 PolarHBondContact O-OG 3.48Å | ||
| 289 | G | 53.3 | Low | 62.6 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 290 | S | 59.9 | Low | 63.8 | Low | 89 Ų | 89 | 62.2 Ų | 62.2 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 140.2 | -172.6 | 44.4 | 0 | 0 | 0 | 0 | 114 | R193 | R193-S290 PolarHBondContact NH1-O 2.86Å; R193-S290 VanDerWaalsContact NH1-O 3.09Å |
| 291 | V | 72.6 | Confident | 65.4 | Low | 33 Ų | 33 | 62.3 Ų | 62.3 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 124.7 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | W278 L296 F332 | W278-V291 HydrophobicContact CE3-CB 4.45Å; W278-V291 HydrophobicContact CE3-CG1 4.13Å; W278-V291 HydrophobicContact CE3-CG2 3.72Å; W278-V291 HydrophobicContact CZ3-CB 4.15Å; W278-V291 HydrophobicContact CZ3-CG1 3.95Å; W278-V291 HydrophobicContact CZ3-CG2 3.74Å; V291-L296 HydrophobicContact CG1-CB 3.83Å; V291-F332 VanDerWaalsContact O-CE1 3.28Å; V291-F332 WeakPolarHBondContact O-CE1 3.42Å |
| 292 | T | 82.7 | Confident | 67.2 | Low | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 153.2 | 173.8 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | D190 V295 L296 | D190-T292 PolarHBondContact OD1-OG1 3.42Å; D190-T292 VanDerWaalsContact OD2-CB 3.32Å; D190-T292 WeakPolarHBondContact OD2-CB 3.45Å; D190-T292 PolarHBondContact OD2-OG1 2.67Å; T292-V295 PolarHBondContact O-N 2.82Å; T292-V295 VanDerWaalsContact O-N 3.08Å; T292-V295 VanDerWaalsContact OG1-CG2 3.25Å; T292-V295 WeakPolarHBondContact OG1-CG2 3.22Å; T292-L296 PolarHBondContact O-N 3.32Å |
| 293 | C | 85.6 | Confident | 69.5 | Low | 10 Ų | 10 | 53.4 Ų | 53.4 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.5 | -45.1 | 179.6 | -173.2 | 0 | 0 | 0 | 0 | 113.5 | V295 L296 E297 Q336 | C293-V295 VanDerWaalsContact C-N 3.32Å; C293-V295 PolarHBondContact O-N 2.72Å; C293-L296 PolarHBondContact O-N 2.81Å; C293-E297 WeakPolarHBondContact O-CB 3.27Å; C293-E297 WeakPolarHBondContact O-CG 3.48Å; C293-E297 PolarHBondContact O-N 3.02Å; C293-Q336 HydrophobicContact CB-CB 4.11Å; C293-Q336 HydrophobicContact CB-CG 3.95Å |
| 294 | P | 86.7 | Confident | 72.1 | Confident | 68 Ų | 68 | 45.3 Ų | 45.3 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 178.2 | -22.3 | 35.3 | 0 | 0 | 0 | 113.9 | I194 S298 | I194-P294 HydrophobicContact CD1-CB 4.26Å; P294-S298 WeakPolarHBondContact O-CB 3.28Å; P294-S298 PolarHBondContact O-N 3.24Å; P294-S298 VanDerWaalsContact O-N 3.1Å |
| 295 | V | 86.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -74.7 | -41.7 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | M169 D190 R193 I194 I197 W278 T292 C293 S298 V299 | M169-V295 HydrophobicContact CE-CG1 4.41Å; D190-V295 HydrophobicContact CB-CG2 3.84Å; R193-V295 HydrophobicContact CB-CG1 4.28Å; R193-V295 HydrophobicContact CB-CG2 3.9Å; I194-V295 HydrophobicContact CG1-CG2 4.3Å; I197-V295 HydrophobicContact CD1-CG1 3.79Å; W278-V295 HydrophobicContact CE3-CG1 4.3Å; W278-V295 HydrophobicContact CH2-CG1 3.94Å; W278-V295 HydrophobicContact CZ3-CB 4.46Å; W278-V295 HydrophobicContact CZ3-CG1 3.48Å; W278-V295 VanDerWaalsContact CZ3-CG1 3.48Å; T292-V295 PolarHBondContact O-N 2.82Å; T292-V295 VanDerWaalsContact O-N 3.08Å; T292-V295 VanDerWaalsContact OG1-CG2 3.25Å; T292-V295 WeakPolarHBondContact OG1-CG2 3.22Å; C293-V295 VanDerWaalsContact C-N 3.32Å; C293-V295 PolarHBondContact O-N 2.72Å; V295-S298 WeakPolarHBondContact O-CB 3.17Å; V295-S298 PolarHBondContact O-N 3.11Å; V295-V299 WeakPolarHBondContact O-CG2 3.17Å; V295-V299 PolarHBondContact O-N 3.45Å |
| 296 | L | 88.3 | Confident | 77.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 173.4 | -176 | 60 | 0 | 0 | 0 | 111.7 | P279 V291 T292 C293 S298 V299 M300 F332 V340 | P279-L296 HydrophobicContact CB-CD1 4.07Å; P279-L296 HydrophobicContact CG-CD1 3.84Å; V291-L296 HydrophobicContact CG1-CB 3.83Å; T292-L296 PolarHBondContact O-N 3.32Å; C293-L296 PolarHBondContact O-N 2.81Å; L296-S298 PolarHBondContact O-N 3.47Å; L296-V299 PolarHBondContact O-N 2.84Å; L296-V299 VanDerWaalsContact O-N 3.11Å; L296-M300 HydrophobicContact CD1-CG 4.44Å; L296-M300 HydrophobicContact CD1-SD 4.41Å; L296-M300 HydrophobicContact CG-CG 4.49Å; L296-M300 HydrophobicContact CG-SD 3.92Å; L296-M300 VanDerWaalsContact O-CG 3.24Å; L296-M300 WeakPolarHBondContact O-CG 3.25Å; L296-M300 PolarHBondContact O-N 2.91Å; L296-F332 HydrophobicContact CD2-CE2 3.7Å; L296-F332 HydrophobicContact CD2-CZ 4.16Å; L296-V340 HydrophobicContact CD2-CG1 3.86Å; L296-V340 HydrophobicContact CD2-CG2 4Å |
| 297 | E | 88.9 | Confident | 80.8 | Confident | 46 Ų | 46 | 30.1 Ų | 30.1 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57 | -37.9 | 174.6 | -79.8 | -163.6 | -169.7 | 0 | 0 | 112.3 | C293 D301 S339 K343 | C293-E297 WeakPolarHBondContact O-CB 3.27Å; C293-E297 WeakPolarHBondContact O-CG 3.48Å; C293-E297 PolarHBondContact O-N 3.02Å; E297-D301 PolarHBondContact O-N 3.48Å; E297-D301 VanDerWaalsContact O-N 3.09Å; E297-S339 WeakPolarHBondContact OE1-CB 3.17Å; E297-S339 PolarHBondContact OE1-OG 3.01Å; E297-K343 HydrophobicContact CB-CG 4.4Å; E297-K343 HydrophobicContact CG-CB 4.31Å; E297-K343 HydrophobicContact CG-CD 4.37Å; E297-K343 HydrophobicContact CG-CG 4.02Å; E297-K343 VanDerWaalsContact O-CE 3.25Å; E297-K343 WeakPolarHBondContact O-CE 3.36Å |
| 298 | S | 89.9 | Confident | 83.4 | Confident | 16 Ų | 16 | 27.2 Ų | 27.2 | 11% | 0.112 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.9 | -38.6 | 174.4 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | P294 V295 L296 M300 D301 S302 | P294-S298 WeakPolarHBondContact O-CB 3.28Å; P294-S298 PolarHBondContact O-N 3.24Å; P294-S298 VanDerWaalsContact O-N 3.1Å; V295-S298 WeakPolarHBondContact O-CB 3.17Å; V295-S298 PolarHBondContact O-N 3.11Å; L296-S298 PolarHBondContact O-N 3.47Å; S298-M300 VanDerWaalsContact C-N 3.3Å; S298-D301 PolarHBondContact O-N 3.48Å; S298-S302 PolarHBondContact O-N 3.3Å; S298-S302 PolarHBondContact O-OG 3.05Å |
| 299 | V | 89.7 | Confident | 85.6 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | I197 L275 V295 L296 S302 L303 | I197-V299 HydrophobicContact CD1-CG2 3.66Å; I197-V299 HydrophobicContact CG1-CG2 4.37Å; L275-V299 HydrophobicContact CD1-CB 4.37Å; L275-V299 HydrophobicContact CD1-CG1 3.95Å; L275-V299 HydrophobicContact CD1-CG2 3.9Å; L275-V299 HydrophobicContact CG-CG1 4.15Å; V295-V299 WeakPolarHBondContact O-CG2 3.17Å; V295-V299 PolarHBondContact O-N 3.45Å; L296-V299 PolarHBondContact O-N 2.84Å; L296-V299 VanDerWaalsContact O-N 3.11Å; V299-S302 PolarHBondContact O-N 2.96Å; V299-L303 HydrophobicContact CG1-CD1 3.86Å; V299-L303 HydrophobicContact CG1-CG 4.28Å; V299-L303 WeakPolarHBondContact O-CB 3.16Å; V299-L303 VanDerWaalsContact O-CG 3.29Å; V299-L303 WeakPolarHBondContact O-CG 3.41Å; V299-L303 PolarHBondContact O-N 2.74Å |
| 300 | M | 90.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 179.5 | -65.7 | 163.9 | 73.1 | 0 | 0 | 112.8 | L296 S298 L303 V304 F321 V340 K343 L344 | L296-M300 HydrophobicContact CD1-CG 4.44Å; L296-M300 HydrophobicContact CD1-SD 4.41Å; L296-M300 HydrophobicContact CG-CG 4.49Å; L296-M300 HydrophobicContact CG-SD 3.92Å; L296-M300 VanDerWaalsContact O-CG 3.24Å; L296-M300 WeakPolarHBondContact O-CG 3.25Å; L296-M300 PolarHBondContact O-N 2.91Å; S298-M300 VanDerWaalsContact C-N 3.3Å; M300-L303 PolarHBondContact O-N 3.4Å; M300-V304 WeakPolarHBondContact O-CG2 3.34Å; M300-V304 PolarHBondContact O-N 2.62Å; M300-V304 VanDerWaalsContact O-N 3.09Å; M300-F321 HydrophobicContact CB-CE1 4.27Å; M300-F321 HydrophobicContact CB-CZ 4.38Å; M300-F321 HydrophobicContact CG-CE1 4.17Å; M300-V340 HydrophobicContact CE-CG1 4.37Å; M300-V340 HydrophobicContact SD-CG1 4.15Å; M300-K343 HydrophobicContact CB-CG 4.33Å; M300-K343 HydrophobicContact CE-CB 3.85Å; M300-K343 HydrophobicContact CE-CG 3.81Å; M300-K343 HydrophobicContact SD-CB 4.43Å; M300-K343 HydrophobicContact SD-CG 4.1Å; M300-L344 VanDerWaalsContact CE-CA 3.46Å; M300-L344 HydrophobicContact CE-CB 3.58Å; M300-L344 HydrophobicContact CE-CD1 3.92Å; M300-L344 HydrophobicContact CE-CG 4.33Å; M300-L344 VanDerWaalsContact CE-N 3.29Å |
| 301 | D | 91.9 | Very high | 88.7 | Confident | 65 Ų | 65 | 19.4 Ų | 19.4 | 35% | 0.348 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 172.9 | -80.2 | -21.3 | 0 | 0 | 0 | 111.3 | E297 S298 L303 V304 N305 K343 | E297-D301 PolarHBondContact O-N 3.48Å; E297-D301 VanDerWaalsContact O-N 3.09Å; S298-D301 PolarHBondContact O-N 3.48Å; D301-L303 PolarHBondContact O-N 2.78Å; D301-V304 PolarHBondContact O-N 2.77Å; D301-N305 PolarHBondContact O-N 3.33Å; D301-K343 VanDerWaalsContact OD1-CE 3.3Å; D301-K343 WeakPolarHBondContact OD1-CE 3.2Å; D301-K343 IonicContact OD1-NZ 3.31Å; D301-K343 PolarHBondContact OD1-NZ 2.68Å; D301-K343 IonicContact OD2-NZ 3.27Å; D301-K343 PolarHBondContact OD2-NZ 3.01Å |
| 302 | S | 92.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 179.3 | -67.7 | 0 | 0 | 0 | 0 | 112.7 | I197 E201 S298 V299 N305 I306 | I197-S302 VanDerWaalsContact CG2-OG 3.27Å; I197-S302 WeakPolarHBondContact CG2-OG 3.31Å; E201-S302 WeakPolarHBondContact OE2-CA 3.47Å; E201-S302 VanDerWaalsContact OE2-CB 3.24Å; E201-S302 WeakPolarHBondContact OE2-CB 3.49Å; E201-S302 PolarHBondContact OE2-OG 3.13Å; S298-S302 PolarHBondContact O-N 3.3Å; S298-S302 PolarHBondContact O-OG 3.05Å; V299-S302 PolarHBondContact O-N 2.96Å; S302-N305 PolarHBondContact O-N 2.69Å; S302-I306 WeakPolarHBondContact O-CB 3.49Å; S302-I306 WeakPolarHBondContact O-CD1 3.17Å; S302-I306 WeakPolarHBondContact O-CG1 3.21Å; S302-I306 PolarHBondContact O-N 2.9Å |
| 303 | L | 92.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 173.4 | -71.2 | 172.2 | 0 | 0 | 0 | 111.9 | F272 L275 V299 M300 D301 I306 A307 V317 A320 F321 | F272-L303 HydrophobicContact CD2-CD2 4.47Å; F272-L303 HydrophobicContact CE2-CD2 3.77Å; F272-L303 HydrophobicContact CZ-CD2 4.02Å; L275-L303 HydrophobicContact CD2-CD2 4.01Å; L275-L303 HydrophobicContact CD2-CG 4.4Å; L275-L303 HydrophobicContact CG-CD2 4.22Å; V299-L303 HydrophobicContact CG1-CD1 3.86Å; V299-L303 HydrophobicContact CG1-CG 4.28Å; V299-L303 WeakPolarHBondContact O-CB 3.16Å; V299-L303 VanDerWaalsContact O-CG 3.29Å; V299-L303 WeakPolarHBondContact O-CG 3.41Å; V299-L303 PolarHBondContact O-N 2.74Å; M300-L303 PolarHBondContact O-N 3.4Å; D301-L303 PolarHBondContact O-N 2.78Å; L303-I306 PolarHBondContact O-N 3.33Å; L303-A307 WeakPolarHBondContact O-CB 3.1Å; L303-A307 PolarHBondContact O-N 3.19Å; L303-V317 HydrophobicContact CB-CG1 4.15Å; L303-V317 HydrophobicContact CB-CG2 4.26Å; L303-V317 HydrophobicContact CD2-CG2 4.22Å; L303-A320 HydrophobicContact CD1-CB 4.44Å; L303-F321 HydrophobicContact CB-CE1 4.45Å; L303-F321 HydrophobicContact CD1-CE1 4.3Å |
| 304 | V | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 173.8 | 171 | 0 | 0 | 0 | 0 | 111.6 | M300 D301 A307 K308 F321 Q350 L351 | M300-V304 WeakPolarHBondContact O-CG2 3.34Å; M300-V304 PolarHBondContact O-N 2.62Å; M300-V304 VanDerWaalsContact O-N 3.09Å; D301-V304 PolarHBondContact O-N 2.77Å; V304-A307 PolarHBondContact O-N 2.89Å; V304-K308 HydrophobicContact CG1-CD 4.21Å; V304-K308 WeakPolarHBondContact O-CG 3.1Å; V304-K308 PolarHBondContact O-N 2.74Å; V304-F321 HydrophobicContact CG2-CE2 3.87Å; V304-F321 HydrophobicContact CG2-CZ 3.76Å; V304-Q350 HydrophobicContact CG1-CB 4.13Å; V304-L351 HydrophobicContact CG1-CD2 4.22Å; V304-L351 HydrophobicContact CG2-CD2 4.37Å; V304-L351 HydrophobicContact CG2-CG 4.43Å |
| 305 | N | 91.7 | Very high | 90.2 | Very high | 55 Ų | 55 | 20.1 Ų | 20.1 | 29% | 0.294 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.4 | -73.6 | -8 | 0 | 0 | 0 | 112.2 | E201 D301 S302 Q309 | E201-N305 WeakPolarHBondContact OE1-CB 3.48Å; E201-N305 PolarHBondContact OE1-ND2 3.05Å; D301-N305 PolarHBondContact O-N 3.33Å; S302-N305 PolarHBondContact O-N 2.69Å; N305-Q309 WeakPolarHBondContact O-CB 3.22Å; N305-Q309 PolarHBondContact O-N 3.41Å; N305-Q309 PolarHBondContact O-NE2 3.21Å |
| 306 | I | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 173.5 | -69.2 | 161.4 | 0 | 0 | 0 | 110 | E201 I204 I205 F272 L275 S302 L303 K308 Q309 R310 F313 | E201-I306 HydrophobicContact CG-CG1 4.26Å; I204-I306 HydrophobicContact CB-CD1 4.32Å; I204-I306 HydrophobicContact CD1-CD1 3.85Å; I204-I306 HydrophobicContact CG2-CD1 4.08Å; I204-I306 HydrophobicContact CG2-CG1 4.18Å; I204-I306 HydrophobicContact CG2-CG2 3.99Å; I205-I306 HydrophobicContact CG1-CG1 4.49Å; F272-I306 HydrophobicContact CD2-CG2 4.06Å; F272-I306 HydrophobicContact CE2-CG2 4.01Å; L275-I306 HydrophobicContact CD2-CD1 3.9Å; S302-I306 WeakPolarHBondContact O-CB 3.49Å; S302-I306 WeakPolarHBondContact O-CD1 3.17Å; S302-I306 WeakPolarHBondContact O-CG1 3.21Å; S302-I306 PolarHBondContact O-N 2.9Å; L303-I306 PolarHBondContact O-N 3.33Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 3.13Å; I306-Q309 PolarHBondContact O-N 3.25Å; I306-R310 CarbonylContact O-C 3.55Å; I306-R310 VanDerWaalsContact O-CA 3.32Å; I306-R310 WeakPolarHBondContact O-CA 3.13Å; I306-R310 WeakPolarHBondContact O-CB 3.32Å; I306-R310 PolarHBondContact O-N 3.28Å; I306-F313 HydrophobicContact CG2-CB 4.13Å; I306-F313 HydrophobicContact CG2-CD2 3.59Å; I306-F313 HydrophobicContact CG2-CE2 4.3Å; I306-F313 HydrophobicContact CG2-CG 4.09Å |
| 307 | A | 91 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.7 | -37.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L303 V304 R310 P311 M314 V317 L351 | L303-A307 WeakPolarHBondContact O-CB 3.1Å; L303-A307 PolarHBondContact O-N 3.19Å; V304-A307 PolarHBondContact O-N 2.89Å; A307-R310 CarbonylContact O-C 3.58Å; A307-P311 VanDerWaalsContact O-CA 3.31Å; A307-P311 WeakPolarHBondContact O-CA 3.29Å; A307-M314 HydrophobicContact CB-CE 4.01Å; A307-M314 HydrophobicContact CB-SD 4.04Å; A307-V317 HydrophobicContact CB-CB 4.28Å; A307-V317 HydrophobicContact CB-CG1 4.22Å; A307-V317 HydrophobicContact CB-CG2 4.13Å; A307-L351 HydrophobicContact CB-CD2 3.58Å |
| 308 | K | 90 | Very high | 90.5 | Very high | 30 Ų | 30 | 22 Ų | 22 | 13% | 0.13 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.5 | -49.6 | 175.2 | -70.2 | 171.7 | -179.2 | 175 | 0 | 112.8 | E215 V304 I306 R310 H354 | E215-K308 HydrophobicContact CB-CB 4.28Å; E215-K308 PolarHBondContact N-O 3.12Å; E215-K308 WeakPolarHBondContact OE2-CD 3.43Å; V304-K308 HydrophobicContact CG1-CD 4.21Å; V304-K308 WeakPolarHBondContact O-CG 3.1Å; V304-K308 PolarHBondContact O-N 2.74Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 3.13Å; K308-R310 VanDerWaalsContact C-N 3.29Å; K308-R310 PolarHBondContact O-N 2.76Å; K308-H354 PolarHBondContact O-NE2 2.81Å |
| 309 | Q | 90 | Very high | 90.4 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 7% | 0.065 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -73.9 | -21.7 | -178.8 | -77.2 | 170.4 | 99.2 | 0 | 0 | 112.6 | I205 S214 E215 N220 N305 I306 | I205-Q309 VanDerWaalsContact CD1-NE2 3.32Å; I205-Q309 HydrophobicContact CG1-CB 4.42Å; S214-Q309 WeakPolarHBondContact CB-O 3.39Å; S214-Q309 PolarHBondContact OG-O 2.78Å; E215-Q309 WeakPolarHBondContact O-CA 3.36Å; E215-Q309 WeakPolarHBondContact O-CG 3.5Å; N220-Q309 PolarHBondContact ND2-OE1 3.2Å; N305-Q309 WeakPolarHBondContact O-CB 3.22Å; N305-Q309 PolarHBondContact O-N 3.41Å; N305-Q309 PolarHBondContact O-NE2 3.21Å; I306-Q309 PolarHBondContact O-N 3.25Å |
| 310 | R | 90.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | trans | -144.7 | 76.5 | -175.3 | -61.3 | -67.2 | -178.8 | -102 | 3.3 | 111 | I205 S208 R209 I306 A307 K308 Q312 F313 | I205-R310 VanDerWaalsContact O-CZ 3.28Å; I205-R310 PolarHBondContact O-NE 2.86Å; I205-R310 PolarHBondContact O-NH2 3.22Å; S208-R310 PolarHBondContact O-NE 3.47Å; S208-R310 WeakPolarHBondContact OG-CD 3.19Å; S208-R310 WeakPolarHBondContact OG-CG 3.17Å; S208-R310 PolarHBondContact OG-NE 2.92Å; R209-R310 WeakPolarHBondContact O-CD 3.39Å; R209-R310 PolarHBondContact O-NE 3.18Å; I306-R310 CarbonylContact O-C 3.55Å; I306-R310 VanDerWaalsContact O-CA 3.32Å; I306-R310 WeakPolarHBondContact O-CA 3.13Å; I306-R310 WeakPolarHBondContact O-CB 3.32Å; I306-R310 PolarHBondContact O-N 3.28Å; A307-R310 CarbonylContact O-C 3.58Å; K308-R310 VanDerWaalsContact C-N 3.29Å; K308-R310 PolarHBondContact O-N 2.76Å; R310-Q312 HydrophobicContact CB-CG 4.09Å; R310-Q312 PolarHBondContact O-N 2.9Å; R310-F313 HydrophobicContact CB-CD2 3.76Å; R310-F313 HydrophobicContact CB-CE2 4.09Å; R310-F313 PolarHBondContact O-N 3.34Å | ||
| 311 | P | 88.2 | Confident | 90.4 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 8% | 0.078 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -59.5 | -16.1 | -175.1 | -28.1 | 38.8 | 0 | 0 | 0 | 115.7 | L211 A307 F313 M314 H354 A356 | L211-P311 HydrophobicContact CD1-CB 4.25Å; A307-P311 VanDerWaalsContact O-CA 3.31Å; A307-P311 WeakPolarHBondContact O-CA 3.29Å; P311-F313 PolarHBondContact O-N 3.22Å; P311-F313 VanDerWaalsContact O-N 3.11Å; P311-M314 WeakPolarHBondContact O-CB 3.32Å; P311-M314 PolarHBondContact O-N 3.44Å; P311-H354 VanDerWaalsContact CG-CE1 3.41Å; P311-H354 WeakPolarHBondContact CG-CE1 3.08Å; P311-A356 HydrophobicContact CB-CB 3.79Å; P311-A356 HydrophobicContact CG-CB 4.46Å |
| 312 | Q | 88.5 | Confident | 90.2 | Very high | 89 Ų | 89 | 25.6 Ų | 25.6 | 42% | 0.416 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -53.1 | -22 | 167.6 | 51.6 | 172.7 | 81.8 | 0 | 0 | 114.8 | L211 R310 | L211-Q312 HydrophobicContact CD1-CB 4.06Å; R310-Q312 HydrophobicContact CB-CG 4.09Å; R310-Q312 PolarHBondContact O-N 2.9Å |
| 313 | F | 90.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -96.4 | -1 | 176.2 | -62.7 | -68.7 | 0 | 0 | 0 | 113.9 | I204 E269 F272 I306 R310 P311 D315 R316 V317 | I204-F313 HydrophobicContact CG2-CE2 4Å; I204-F313 HydrophobicContact CG2-CZ 4.35Å; E269-F313 HydrophobicContact CG-CE1 4.38Å; F272-F313 HydrophobicContact CB-CE1 4.28Å; F272-F313 HydrophobicContact CD1-CD1 4.16Å; F272-F313 HydrophobicContact CD2-CB 4.27Å; F272-F313 AromaticContact CD2-CD1 3.85Å; F272-F313 HydrophobicContact CD2-CD1 3.85Å; F272-F313 HydrophobicContact CD2-CE1 4.3Å; F272-F313 AromaticContact CD2-CG 3.97Å; F272-F313 HydrophobicContact CD2-CG 3.97Å; F272-F313 HydrophobicContact CE1-CD1 4.39Å; F272-F313 HydrophobicContact CE2-CB 3.73Å; F272-F313 HydrophobicContact CE2-CD1 4.08Å; F272-F313 AromaticContact CE2-CG 3.95Å; F272-F313 HydrophobicContact CE2-CG 3.95Å; F272-F313 AromaticContact CG-CD1 3.9Å; F272-F313 HydrophobicContact CG-CD1 3.9Å; F272-F313 HydrophobicContact CG-CE1 4.1Å; F272-F313 HydrophobicContact CG-CG 4.48Å; F272-F313 HydrophobicContact CZ-CB 4.03Å; F272-F313 HydrophobicContact CZ-CD1 4.35Å; F272-F313 HydrophobicContact CZ-CG 4.47Å; I306-F313 HydrophobicContact CG2-CB 4.13Å; I306-F313 HydrophobicContact CG2-CD2 3.59Å; I306-F313 HydrophobicContact CG2-CE2 4.3Å; I306-F313 HydrophobicContact CG2-CG 4.09Å; R310-F313 HydrophobicContact CB-CD2 3.76Å; R310-F313 HydrophobicContact CB-CE2 4.09Å; R310-F313 PolarHBondContact O-N 3.34Å; P311-F313 PolarHBondContact O-N 3.22Å; P311-F313 VanDerWaalsContact O-N 3.11Å; F313-D315 PolarHBondContact O-N 3.32Å; F313-R316 PolarHBondContact O-N 3.03Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 2.77Å |
| 314 | M | 89.9 | Confident | 89.6 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.4 | -49.3 | -171.5 | -172.8 | 67.5 | 69.3 | 0 | 0 | 112.9 | A307 P311 R316 V317 V318 L351 H354 A356 A357 F361 | A307-M314 HydrophobicContact CB-CE 4.01Å; A307-M314 HydrophobicContact CB-SD 4.04Å; P311-M314 WeakPolarHBondContact O-CB 3.32Å; P311-M314 PolarHBondContact O-N 3.44Å; M314-R316 PolarHBondContact O-N 3.07Å; M314-V317 PolarHBondContact O-N 3.2Å; M314-V317 VanDerWaalsContact O-N 3.11Å; M314-V318 HydrophobicContact CG-CG2 4.48Å; M314-V318 WeakPolarHBondContact O-CG2 3.4Å; M314-V318 PolarHBondContact O-N 3.35Å; M314-L351 HydrophobicContact CE-CD2 4.26Å; M314-L351 HydrophobicContact SD-CB 4.42Å; M314-L351 HydrophobicContact SD-CD1 4.3Å; M314-L351 HydrophobicContact SD-CD2 4Å; M314-L351 HydrophobicContact SD-CG 4.46Å; M314-H354 HydrophobicContact CE-CB 4.47Å; M314-A356 HydrophobicContact CE-CB 4.47Å; M314-A357 HydrophobicContact CE-CB 4.26Å; M314-A357 HydrophobicContact SD-CB 4.21Å; M314-F361 HydrophobicContact CB-CD2 4.37Å; M314-F361 HydrophobicContact CB-CE2 3.94Å; M314-F361 HydrophobicContact CG-CD2 3.54Å; M314-F361 HydrophobicContact CG-CE2 3.62Å; M314-F361 HydrophobicContact CG-CG 4.39Å |
| 315 | D | 89.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 28.9 Ų | 28.9 | 37% | 0.374 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -56.8 | -48.3 | 178.5 | 179.1 | 50.2 | 0 | 0 | 0 | 112.4 | F313 V317 V318 Q319 F361 R364 | F313-D315 PolarHBondContact O-N 3.32Å; D315-V317 VanDerWaalsContact C-N 3.28Å; D315-V317 PolarHBondContact O-N 2.86Å; D315-V318 PolarHBondContact O-N 2.97Å; D315-Q319 WeakPolarHBondContact O-CB 3.39Å; D315-Q319 PolarHBondContact O-N 3.19Å; D315-F361 HydrophobicContact CB-CE1 3.65Å; D315-F361 HydrophobicContact CB-CZ 3.63Å; D315-F361 WeakPolarHBondContact OD1-CE1 3.17Å; D315-R364 IonicContact OD1-CZ 2.82Å; D315-R364 IonicContact OD1-NH1 3.28Å; D315-R364 PolarHBondContact OD1-NH1 2.82Å; D315-R364 IonicContact OD1-NH2 3.31Å |
| 316 | R | 88.7 | Confident | 88.9 | Confident | 88 Ų | 88 | 32.1 Ų | 32.1 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.1 | -28.1 | 178.3 | -58.8 | -173 | -174.6 | 166.2 | 6 | 112.4 | E269 F272 F313 M314 A320 | E269-R316 IonicContact OE2-CZ 3.24Å; E269-R316 VanDerWaalsContact OE2-CZ 3.28Å; E269-R316 IonicContact OE2-NH1 2.88Å; E269-R316 PolarHBondContact OE2-NH1 3.29Å; E269-R316 IonicContact OE2-NH2 2.83Å; E269-R316 PolarHBondContact OE2-NH2 3.47Å; F272-R316 HydrophobicContact CE1-CB 3.54Å; F272-R316 HydrophobicContact CE1-CG 4.4Å; F272-R316 HydrophobicContact CZ-CB 3.91Å; F313-R316 PolarHBondContact O-N 3.03Å; M314-R316 PolarHBondContact O-N 3.07Å; R316-A320 VanDerWaalsContact O-CB 3.29Å; R316-A320 WeakPolarHBondContact O-CB 3.41Å; R316-A320 PolarHBondContact O-N 3.32Å |
| 317 | V | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.3 | -41.4 | 173 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | F272 L303 A307 F313 M314 D315 A320 F321 L351 | F272-V317 HydrophobicContact CE2-CG2 3.79Å; F272-V317 HydrophobicContact CZ-CG2 3.62Å; L303-V317 HydrophobicContact CB-CG1 4.15Å; L303-V317 HydrophobicContact CB-CG2 4.26Å; L303-V317 HydrophobicContact CD2-CG2 4.22Å; A307-V317 HydrophobicContact CB-CB 4.28Å; A307-V317 HydrophobicContact CB-CG1 4.22Å; A307-V317 HydrophobicContact CB-CG2 4.13Å; F313-V317 WeakPolarHBondContact O-CG2 3.48Å; F313-V317 PolarHBondContact O-N 2.77Å; M314-V317 PolarHBondContact O-N 3.2Å; M314-V317 VanDerWaalsContact O-N 3.11Å; D315-V317 VanDerWaalsContact C-N 3.28Å; D315-V317 PolarHBondContact O-N 2.86Å; V317-A320 PolarHBondContact O-N 3.04Å; V317-F321 HydrophobicContact CG1-CD2 4.46Å; V317-F321 HydrophobicContact CG1-CE2 4.33Å; V317-F321 HydrophobicContact CG1-CZ 4.41Å; V317-F321 WeakPolarHBondContact O-CB 3.49Å; V317-F321 WeakPolarHBondContact O-CG 3.15Å; V317-F321 PolarHBondContact O-N 2.91Å; V317-L351 HydrophobicContact CG1-CD1 4.01Å |
| 318 | V | 90.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 173 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | M314 D315 A320 F321 E322 F361 R364 I365 L368 | M314-V318 HydrophobicContact CG-CG2 4.48Å; M314-V318 WeakPolarHBondContact O-CG2 3.4Å; M314-V318 PolarHBondContact O-N 3.35Å; D315-V318 PolarHBondContact O-N 2.97Å; V318-A320 PolarHBondContact O-N 3.04Å; V318-F321 CarbonylContact O-C 3.54Å; V318-F321 WeakPolarHBondContact O-CA 3.27Å; V318-F321 WeakPolarHBondContact O-CB 3.29Å; V318-F321 PolarHBondContact O-N 3.06Å; V318-E322 WeakPolarHBondContact O-CG 3.17Å; V318-E322 PolarHBondContact O-N 3.26Å; V318-F361 HydrophobicContact CG2-CB 4.28Å; V318-F361 HydrophobicContact CG2-CD1 4.45Å; V318-F361 HydrophobicContact CG2-CG 4.29Å; V318-R364 HydrophobicContact CG1-CB 4.16Å; V318-I365 HydrophobicContact CG1-CG1 4.32Å; V318-I365 HydrophobicContact CG2-CD1 3.9Å; V318-I365 HydrophobicContact CG2-CG1 3.99Å; V318-L368 HydrophobicContact CG1-CD1 4.48Å |
| 319 | Q | 88.2 | Confident | 86.7 | Confident | 104 Ų | 104 | 36.9 Ų | 36.9 | 49% | 0.486 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.8 | -168.7 | -178.4 | 36.2 | 0 | 0 | 113.1 | D315 F321 E322 T323 | D315-Q319 WeakPolarHBondContact O-CB 3.39Å; D315-Q319 PolarHBondContact O-N 3.19Å; Q319-F321 VanDerWaalsContact C-N 3.29Å; Q319-F321 PolarHBondContact O-N 3.03Å; Q319-E322 WeakPolarHBondContact CA-OE2 3.25Å; Q319-E322 PolarHBondContact O-N 2.9Å; Q319-T323 WeakPolarHBondContact O-CB 3.32Å; Q319-T323 PolarHBondContact O-N 3.24Å; Q319-T323 PolarHBondContact O-OG1 2.89Å |
| 320 | A | 88.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 42 Ų | 42 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L303 R316 V317 V318 T323 V324 | L303-A320 HydrophobicContact CD1-CB 4.44Å; R316-A320 VanDerWaalsContact O-CB 3.29Å; R316-A320 WeakPolarHBondContact O-CB 3.41Å; R316-A320 PolarHBondContact O-N 3.32Å; V317-A320 PolarHBondContact O-N 3.04Å; V318-A320 PolarHBondContact O-N 3.04Å; A320-T323 PolarHBondContact O-N 3.32Å; A320-V324 WeakPolarHBondContact O-CB 3.4Å; A320-V324 WeakPolarHBondContact O-CG2 3.39Å; A320-V324 PolarHBondContact O-N 3.26Å |
| 321 | F | 91 | Very high | 85.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.4 | -35 | 177 | -79.5 | 4.6 | 0 | 0 | 0 | 113.3 | M300 L303 V304 V317 V318 Q319 H325 L344 L348 L351 | M300-F321 HydrophobicContact CB-CE1 4.27Å; M300-F321 HydrophobicContact CB-CZ 4.38Å; M300-F321 HydrophobicContact CG-CE1 4.17Å; L303-F321 HydrophobicContact CB-CE1 4.45Å; L303-F321 HydrophobicContact CD1-CE1 4.3Å; V304-F321 HydrophobicContact CG2-CE2 3.87Å; V304-F321 HydrophobicContact CG2-CZ 3.76Å; V317-F321 HydrophobicContact CG1-CD2 4.46Å; V317-F321 HydrophobicContact CG1-CE2 4.33Å; V317-F321 HydrophobicContact CG1-CZ 4.41Å; V317-F321 WeakPolarHBondContact O-CB 3.49Å; V317-F321 WeakPolarHBondContact O-CG 3.15Å; V317-F321 PolarHBondContact O-N 2.91Å; V318-F321 CarbonylContact O-C 3.54Å; V318-F321 WeakPolarHBondContact O-CA 3.27Å; V318-F321 WeakPolarHBondContact O-CB 3.29Å; V318-F321 PolarHBondContact O-N 3.06Å; Q319-F321 VanDerWaalsContact C-N 3.29Å; Q319-F321 PolarHBondContact O-N 3.03Å; F321-H325 WeakPolarHBondContact O-CB 3.36Å; F321-H325 PolarHBondContact O-N 3.36Å; F321-L344 HydrophobicContact CB-CD1 3.7Å; F321-L344 HydrophobicContact CD1-CD1 3.69Å; F321-L344 HydrophobicContact CD2-CD1 3.72Å; F321-L344 HydrophobicContact CE1-CD1 4.16Å; F321-L344 HydrophobicContact CE2-CD1 4.19Å; F321-L344 HydrophobicContact CG-CD1 3.42Å; F321-L344 VanDerWaalsContact CG-CD1 3.42Å; F321-L344 HydrophobicContact CZ-CD1 4.37Å; F321-L348 HydrophobicContact CB-CD2 4.42Å; F321-L348 HydrophobicContact CD2-CD2 3.87Å; F321-L348 HydrophobicContact CD2-CG 3.98Å; F321-L351 HydrophobicContact CD2-CD1 4.07Å; F321-L351 HydrophobicContact CE2-CD1 3.95Å |
| 322 | E | 89.3 | Confident | 84.8 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 23% | 0.229 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 166.4 | -69.6 | 163.4 | 170.7 | 0 | 0 | 110.2 | V318 Q319 V324 H325 V326 R364 L368 | V318-E322 WeakPolarHBondContact O-CG 3.17Å; V318-E322 PolarHBondContact O-N 3.26Å; Q319-E322 WeakPolarHBondContact CA-OE2 3.25Å; Q319-E322 PolarHBondContact O-N 2.9Å; E322-V324 PolarHBondContact O-N 3.21Å; E322-H325 WeakPolarHBondContact O-CB 3.48Å; E322-H325 PolarHBondContact O-N 2.67Å; E322-H325 VanDerWaalsContact O-N 3.15Å; E322-V326 PolarHBondContact O-N 2.94Å; E322-V326 VanDerWaalsContact O-N 3.12Å; E322-R364 VanDerWaalsContact CD-NH2 3.33Å; E322-R364 IonicContact OE1-CZ 2.67Å; E322-R364 IonicContact OE1-NE 3.36Å; E322-R364 PolarHBondContact OE1-NE 3.11Å; E322-R364 IonicContact OE1-NH2 2.61Å; E322-R364 PolarHBondContact OE1-NH2 2.8Å; E322-R364 IonicContact OE2-CZ 3.19Å; E322-R364 IonicContact OE2-NE 3.02Å; E322-R364 IonicContact OE2-NH2 2.8Å; E322-R364 PolarHBondContact OE2-NH2 3.11Å; E322-L368 HydrophobicContact CG-CD1 3.52Å; E322-L368 HydrophobicContact CG-CD2 3.96Å; E322-L368 HydrophobicContact CG-CG 4.21Å |
| 323 | T | 85.7 | Confident | 84.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | -179 | -43.6 | 0 | 0 | 0 | 0 | 112.1 | V280 Q319 A320 H325 T327 | V280-T323 HydrophobicContact CB-CG2 4.26Å; V280-T323 HydrophobicContact CG1-CG2 3.67Å; V280-T323 HydrophobicContact CG2-CG2 3.59Å; Q319-T323 WeakPolarHBondContact O-CB 3.32Å; Q319-T323 PolarHBondContact O-N 3.24Å; Q319-T323 PolarHBondContact O-OG1 2.89Å; A320-T323 PolarHBondContact O-N 3.32Å; T323-H325 VanDerWaalsContact C-N 3.3Å; T323-H325 PolarHBondContact O-N 3.44Å; T323-T327 WeakPolarHBondContact O-CA 3.45Å; T323-T327 VanDerWaalsContact O-CB 3.25Å; T323-T327 WeakPolarHBondContact O-CB 3.29Å; T323-T327 PolarHBondContact O-N 3.08Å; T323-T327 PolarHBondContact O-OG1 2.88Å |
| 324 | V | 84.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -33.1 | 172.5 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | P279 A320 E322 L344 | P279-V324 HydrophobicContact CB-CG2 3.49Å; P279-V324 VanDerWaalsContact CB-CG2 3.49Å; P279-V324 HydrophobicContact CG-CG2 3.73Å; A320-V324 WeakPolarHBondContact O-CB 3.4Å; A320-V324 WeakPolarHBondContact O-CG2 3.39Å; A320-V324 PolarHBondContact O-N 3.26Å; E322-V324 PolarHBondContact O-N 3.21Å; V324-L344 HydrophobicContact CG1-CD2 4.27Å |
| 325 | H | 85.5 | Confident | 84.2 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69 | -45.6 | 178.6 | -171.7 | 36.4 | 0 | 0 | 0 | 111.8 | F321 E322 T323 L344 L368 D371 | F321-H325 WeakPolarHBondContact O-CB 3.36Å; F321-H325 PolarHBondContact O-N 3.36Å; E322-H325 WeakPolarHBondContact O-CB 3.48Å; E322-H325 PolarHBondContact O-N 2.67Å; E322-H325 VanDerWaalsContact O-N 3.15Å; T323-H325 VanDerWaalsContact C-N 3.3Å; T323-H325 PolarHBondContact O-N 3.44Å; H325-L344 HydrophobicContact CB-CD2 4.03Å; H325-L368 HydrophobicContact CB-CD2 4.32Å; H325-D371 WeakPolarHBondContact NE2-CB 3.37Å |
| 326 | V | 83.9 | Confident | 84.2 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 75% | 0.745 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -78.2 | -34.8 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | E322 | E322-V326 PolarHBondContact O-N 2.94Å; E322-V326 VanDerWaalsContact O-N 3.12Å |
| 327 | T | 77.7 | Confident | 84.1 | Confident | 61 Ų | 61 | 58.6 Ų | 58.6 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | trans | -114.1 | 57.9 | -174.3 | -43.4 | 0 | 0 | 0 | 0 | 111.6 | T323 | T323-T327 WeakPolarHBondContact O-CA 3.45Å; T323-T327 VanDerWaalsContact O-CB 3.25Å; T323-T327 WeakPolarHBondContact O-CB 3.29Å; T323-T327 PolarHBondContact O-N 3.08Å; T323-T327 PolarHBondContact O-OG1 2.88Å | ||
| 328 | L | 79.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | trans | -65.1 | 133.7 | 168.2 | -84.4 | 159.9 | 0 | 0 | 0 | 110.4 | V337 V340 R341 | L328-V337 HydrophobicContact CD1-CG1 4Å; L328-V340 HydrophobicContact CD2-CB 4.37Å; L328-V340 HydrophobicContact CD2-CG1 3.79Å; L328-R341 HydrophobicContact CD1-CG 4.36Å | ||
| 329 | P | 69.7 | Low | 83.8 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | trans | -61.5 | 126 | 176.3 | -25.8 | 35.3 | 0 | 0 | 0 | 112.3 | H331 F332 | P329-H331 PolarHBondContact O-N 3.18Å; P329-F332 HydrophobicContact CB-CD2 4.2Å; P329-F332 HydrophobicContact CB-CE2 4.08Å; P329-F332 HydrophobicContact CB-CG 4.47Å; P329-F332 HydrophobicContact CB-CZ 4.26Å; P329-F332 HydrophobicContact CG-CD2 4.22Å; P329-F332 HydrophobicContact CG-CE2 3.71Å; P329-F332 HydrophobicContact CG-CZ 3.99Å; P329-F332 PolarHBondContact O-N 3.46Å | ||
| 330 | P | 71.1 | Confident | 83.8 | Confident | 121 Ų | 121 | 59.2 Ų | 59.2 | 79% | 0.786 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.5 | -175.4 | 29.6 | -37 | 0 | 0 | 0 | 114 | ||
| 331 | H | 75 | Confident | 83.9 | Confident | 165 Ų | 165 | 63.9 Ų | 63.9 | 76% | 0.764 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 9.4 | 176.9 | -50.1 | -51.9 | 0 | 0 | 0 | 113.3 | P329 | P329-H331 PolarHBondContact O-N 3.18Š|
| 332 | F | 82.4 | Confident | 83.9 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 10% | 0.101 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -94 | 126 | 174.6 | -71.3 | -16.8 | 0 | 0 | 0 | 111.2 | V291 L296 P329 Q336 V337 V340 | V291-F332 VanDerWaalsContact O-CE1 3.28Å; V291-F332 WeakPolarHBondContact O-CE1 3.42Å; L296-F332 HydrophobicContact CD2-CE2 3.7Å; L296-F332 HydrophobicContact CD2-CZ 4.16Å; P329-F332 HydrophobicContact CB-CD2 4.2Å; P329-F332 HydrophobicContact CB-CE2 4.08Å; P329-F332 HydrophobicContact CB-CG 4.47Å; P329-F332 HydrophobicContact CB-CZ 4.26Å; P329-F332 HydrophobicContact CG-CD2 4.22Å; P329-F332 HydrophobicContact CG-CE2 3.71Å; P329-F332 HydrophobicContact CG-CZ 3.99Å; P329-F332 PolarHBondContact O-N 3.46Å; F332-Q336 HydrophobicContact CB-CB 4Å; F332-Q336 HydrophobicContact CG-CB 4.27Å; F332-V337 HydrophobicContact CB-CG2 3.7Å; F332-V340 HydrophobicContact CD2-CG2 4.45Å; F332-V340 HydrophobicContact CE2-CG2 4.21Å |
| 333 | S | 84.5 | Confident | 83.9 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | trans | -58.7 | 155.7 | 166.7 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | N335 Q336 V337 | S333-N335 PolarHBondContact O-N 2.93Å; S333-N335 VanDerWaalsContact O-N 3.08Å; S333-Q336 CarbonylContact O-C 3.59Å; S333-Q336 WeakPolarHBondContact O-CA 3.35Å; S333-Q336 WeakPolarHBondContact O-CB 3.45Å; S333-Q336 PolarHBondContact O-N 3.37Å; S333-Q336 VanDerWaalsContact OG-CD 3.27Å; S333-Q336 WeakPolarHBondContact OG-CG 3.29Å; S333-Q336 PolarHBondContact OG-OE1 3.38Å; S333-V337 PolarHBondContact O-N 3.46Å | ||
| 334 | D | 85.9 | Confident | 84.2 | Confident | 134 Ų | 134 | 67.7 Ų | 67.7 | 72% | 0.717 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.3 | -32.1 | -177.7 | -45.5 | -62.7 | 0 | 0 | 0 | 112.9 | Q336 V337 S338 | D334-Q336 VanDerWaalsContact C-N 3.34Å; D334-Q336 PolarHBondContact O-N 3.31Å; D334-V337 PolarHBondContact O-N 3.13Å; D334-S338 WeakPolarHBondContact O-CB 3.19Å; D334-S338 PolarHBondContact O-N 3.5Å |
| 335 | N | 87.1 | Confident | 84.5 | Confident | 141 Ų | 141 | 69.1 Ų | 69.1 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.9 | -37.9 | 173.4 | -73.7 | -72.6 | 0 | 0 | 0 | 112.4 | S333 S339 | S333-N335 PolarHBondContact O-N 2.93Å; S333-N335 VanDerWaalsContact O-N 3.08Å; N335-S339 PolarHBondContact O-N 3.32Å; N335-S339 VanDerWaalsContact O-N 3.08Å |
| 336 | Q | 87.8 | Confident | 84.8 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.2 | -44.1 | 174.5 | -68.8 | 161.5 | -35.9 | 0 | 0 | 110.9 | C293 F332 S333 D334 S338 S339 V340 | C293-Q336 HydrophobicContact CB-CB 4.11Å; C293-Q336 HydrophobicContact CB-CG 3.95Å; F332-Q336 HydrophobicContact CB-CB 4Å; F332-Q336 HydrophobicContact CG-CB 4.27Å; S333-Q336 CarbonylContact O-C 3.59Å; S333-Q336 WeakPolarHBondContact O-CA 3.35Å; S333-Q336 WeakPolarHBondContact O-CB 3.45Å; S333-Q336 PolarHBondContact O-N 3.37Å; S333-Q336 VanDerWaalsContact OG-CD 3.27Å; S333-Q336 WeakPolarHBondContact OG-CG 3.29Å; S333-Q336 PolarHBondContact OG-OE1 3.38Å; D334-Q336 VanDerWaalsContact C-N 3.34Å; D334-Q336 PolarHBondContact O-N 3.31Å; Q336-S338 VanDerWaalsContact C-N 3.31Å; Q336-S338 PolarHBondContact O-N 3.28Å; Q336-S339 WeakPolarHBondContact O-CB 3.37Å; Q336-S339 PolarHBondContact O-N 3.22Å; Q336-S339 VanDerWaalsContact O-N 3.09Å; Q336-V340 WeakPolarHBondContact O-CG2 3.48Å; Q336-V340 PolarHBondContact O-N 2.75Å |
| 337 | V | 86.6 | Confident | 85.1 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -44 | 174.4 | 177 | 0 | 0 | 0 | 0 | 110.8 | L328 F332 S333 D334 S339 V340 R341 | L328-V337 HydrophobicContact CD1-CG1 4Å; F332-V337 HydrophobicContact CB-CG2 3.7Å; S333-V337 PolarHBondContact O-N 3.46Å; D334-V337 PolarHBondContact O-N 3.13Å; V337-S339 PolarHBondContact O-N 3.09Å; V337-V340 PolarHBondContact O-N 2.98Å; V337-R341 HydrophobicContact CG1-CG 4.29Å; V337-R341 WeakPolarHBondContact O-CB 3.38Å; V337-R341 WeakPolarHBondContact O-CG 2.83Å; V337-R341 PolarHBondContact O-N 3.06Å |
| 338 | S | 86.7 | Confident | 85.7 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.6 | -170.8 | 0 | 0 | 0 | 0 | 112 | D334 Q336 K342 | D334-S338 WeakPolarHBondContact O-CB 3.19Å; D334-S338 PolarHBondContact O-N 3.5Å; Q336-S338 VanDerWaalsContact C-N 3.31Å; Q336-S338 PolarHBondContact O-N 3.28Å; S338-K342 WeakPolarHBondContact O-CB 3.29Å; S338-K342 PolarHBondContact O-N 3.49Å |
| 339 | S | 89.4 | Confident | 86.2 | Confident | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 174 | -154.2 | 0 | 0 | 0 | 0 | 111.8 | E297 N335 Q336 V337 K342 K343 | E297-S339 WeakPolarHBondContact OE1-CB 3.17Å; E297-S339 PolarHBondContact OE1-OG 3.01Å; N335-S339 PolarHBondContact O-N 3.32Å; N335-S339 VanDerWaalsContact O-N 3.08Å; Q336-S339 WeakPolarHBondContact O-CB 3.37Å; Q336-S339 PolarHBondContact O-N 3.22Å; Q336-S339 VanDerWaalsContact O-N 3.09Å; V337-S339 PolarHBondContact O-N 3.09Å; S339-K342 PolarHBondContact O-N 3.49Å; S339-K343 VanDerWaalsContact O-CB 3.28Å; S339-K343 WeakPolarHBondContact O-CB 3.29Å; S339-K343 PolarHBondContact O-N 3.23Å |
| 340 | V | 87.9 | Confident | 87 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -48.7 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | L296 M300 L328 F332 Q336 V337 K342 K343 L344 | L296-V340 HydrophobicContact CD2-CG1 3.86Å; L296-V340 HydrophobicContact CD2-CG2 4Å; M300-V340 HydrophobicContact CE-CG1 4.37Å; M300-V340 HydrophobicContact SD-CG1 4.15Å; L328-V340 HydrophobicContact CD2-CB 4.37Å; L328-V340 HydrophobicContact CD2-CG1 3.79Å; F332-V340 HydrophobicContact CD2-CG2 4.45Å; F332-V340 HydrophobicContact CE2-CG2 4.21Å; Q336-V340 WeakPolarHBondContact O-CG2 3.48Å; Q336-V340 PolarHBondContact O-N 2.75Å; V337-V340 PolarHBondContact O-N 2.98Å; V340-K342 VanDerWaalsContact C-N 3.32Å; V340-K342 PolarHBondContact O-N 3.29Å; V340-K343 CarbonylContact O-C 3.6Å; V340-K343 WeakPolarHBondContact O-CA 3.27Å; V340-K343 WeakPolarHBondContact O-CB 3.47Å; V340-K343 PolarHBondContact O-N 2.61Å; V340-K343 VanDerWaalsContact O-N 3.08Å; V340-L344 WeakPolarHBondContact O-CB 3.3Å; V340-L344 PolarHBondContact O-N 3.41Å |
| 341 | R | 89.7 | Confident | 87.8 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 175.4 | -74.8 | -174.5 | -179.5 | -122 | 3.1 | 111.4 | L328 V337 L344 K345 L372 | L328-R341 HydrophobicContact CD1-CG 4.36Å; V337-R341 HydrophobicContact CG1-CG 4.29Å; V337-R341 WeakPolarHBondContact O-CB 3.38Å; V337-R341 WeakPolarHBondContact O-CG 2.83Å; V337-R341 PolarHBondContact O-N 3.06Å; R341-L344 WeakPolarHBondContact O-CB 3.36Å; R341-L344 PolarHBondContact O-N 3.21Å; R341-K345 WeakPolarHBondContact O-CB 3.49Å; R341-K345 PolarHBondContact O-N 3.45Å; R341-L372 HydrophobicContact CB-CD2 3.86Å; R341-L372 HydrophobicContact CG-CD2 3.87Å |
| 342 | K | 91.3 | Very high | 88.3 | Confident | 127 Ų | 127 | 50 Ų | 50 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.5 | -37 | 173.8 | 177.7 | -174.5 | 163.6 | -141.3 | 0 | 112.5 | S338 S339 V340 N346 | S338-K342 WeakPolarHBondContact O-CB 3.29Å; S338-K342 PolarHBondContact O-N 3.49Å; S339-K342 PolarHBondContact O-N 3.49Å; V340-K342 VanDerWaalsContact C-N 3.32Å; V340-K342 PolarHBondContact O-N 3.29Å; K342-N346 WeakPolarHBondContact O-CB 3.48Å; K342-N346 PolarHBondContact O-N 2.92Å; K342-N346 PolarHBondContact O-ND2 3.39Å |
| 343 | K | 90.5 | Very high | 88.4 | Confident | 43 Ų | 43 | 56 Ų | 56 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 174.3 | -171.7 | 68.7 | 144 | 167.6 | 0 | 110.5 | E297 M300 D301 S339 V340 N346 G347 | E297-K343 HydrophobicContact CB-CG 4.4Å; E297-K343 HydrophobicContact CG-CB 4.31Å; E297-K343 HydrophobicContact CG-CD 4.37Å; E297-K343 HydrophobicContact CG-CG 4.02Å; E297-K343 VanDerWaalsContact O-CE 3.25Å; E297-K343 WeakPolarHBondContact O-CE 3.36Å; M300-K343 HydrophobicContact CB-CG 4.33Å; M300-K343 HydrophobicContact CE-CB 3.85Å; M300-K343 HydrophobicContact CE-CG 3.81Å; M300-K343 HydrophobicContact SD-CB 4.43Å; M300-K343 HydrophobicContact SD-CG 4.1Å; D301-K343 VanDerWaalsContact OD1-CE 3.3Å; D301-K343 WeakPolarHBondContact OD1-CE 3.2Å; D301-K343 IonicContact OD1-NZ 3.31Å; D301-K343 PolarHBondContact OD1-NZ 2.68Å; D301-K343 IonicContact OD2-NZ 3.27Å; D301-K343 PolarHBondContact OD2-NZ 3.01Å; S339-K343 VanDerWaalsContact O-CB 3.28Å; S339-K343 WeakPolarHBondContact O-CB 3.29Å; S339-K343 PolarHBondContact O-N 3.23Å; V340-K343 CarbonylContact O-C 3.6Å; V340-K343 WeakPolarHBondContact O-CA 3.27Å; V340-K343 WeakPolarHBondContact O-CB 3.47Å; V340-K343 PolarHBondContact O-N 2.61Å; V340-K343 VanDerWaalsContact O-N 3.08Å; K343-N346 CarbonylContact O-C 3.43Å; K343-N346 PolarHBondContact O-N 3.4Å; K343-G347 PolarHBondContact O-N 3Å |
| 344 | L | 91.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 177.5 | -170.1 | 59.9 | 0 | 0 | 0 | 111.1 | M300 F321 V324 H325 V340 R341 N346 G347 L348 L372 | M300-L344 VanDerWaalsContact CE-CA 3.46Å; M300-L344 HydrophobicContact CE-CB 3.58Å; M300-L344 HydrophobicContact CE-CD1 3.92Å; M300-L344 HydrophobicContact CE-CG 4.33Å; M300-L344 VanDerWaalsContact CE-N 3.29Å; F321-L344 HydrophobicContact CB-CD1 3.7Å; F321-L344 HydrophobicContact CD1-CD1 3.69Å; F321-L344 HydrophobicContact CD2-CD1 3.72Å; F321-L344 HydrophobicContact CE1-CD1 4.16Å; F321-L344 HydrophobicContact CE2-CD1 4.19Å; F321-L344 HydrophobicContact CG-CD1 3.42Å; F321-L344 VanDerWaalsContact CG-CD1 3.42Å; F321-L344 HydrophobicContact CZ-CD1 4.37Å; V324-L344 HydrophobicContact CG1-CD2 4.27Å; H325-L344 HydrophobicContact CB-CD2 4.03Å; V340-L344 WeakPolarHBondContact O-CB 3.3Å; V340-L344 PolarHBondContact O-N 3.41Å; R341-L344 WeakPolarHBondContact O-CB 3.36Å; R341-L344 PolarHBondContact O-N 3.21Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 2.75Å; L344-G347 WeakPolarHBondContact O-CA 3.31Å; L344-G347 PolarHBondContact O-N 3Å; L344-L348 HydrophobicContact CD1-CD1 4.4Å; L344-L348 HydrophobicContact CG-CD1 4.08Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 2.46Å; L344-L372 HydrophobicContact CB-CD1 3.98Å; L344-L372 HydrophobicContact CD2-CD1 3.65Å; L344-L372 HydrophobicContact CD2-CD2 4.18Å; L344-L372 HydrophobicContact CG-CD1 3.58Å |
| 345 | K | 91.8 | Very high | 87.9 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 15% | 0.152 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.9 | -46.1 | 170.9 | 177.9 | 174.5 | 171.5 | 178.5 | 0 | 111.9 | R341 G347 L349 L369 L372 G373 A374 E378 | R341-K345 WeakPolarHBondContact O-CB 3.49Å; R341-K345 PolarHBondContact O-N 3.45Å; K345-G347 VanDerWaalsContact C-N 3.32Å; K345-G347 PolarHBondContact O-N 3.03Å; K345-L349 HydrophobicContact CG-CD1 3.97Å; K345-L349 HydrophobicContact CG-CG 4.48Å; K345-L349 VanDerWaalsContact O-CB 3.28Å; K345-L349 WeakPolarHBondContact O-CB 3.31Å; K345-L349 VanDerWaalsContact O-CG 3.25Å; K345-L349 WeakPolarHBondContact O-CG 3.49Å; K345-L349 PolarHBondContact O-N 3.33Å; K345-L369 HydrophobicContact CG-CD2 4.15Å; K345-L372 HydrophobicContact CB-CB 4.26Å; K345-G373 PolarHBondContact NZ-O 3.1Å; K345-A374 HydrophobicContact CD-CB 4.25Å; K345-A374 HydrophobicContact CG-CB 4.45Å; K345-E378 WeakPolarHBondContact CE-OE1 3.45Å; K345-E378 WeakPolarHBondContact CE-OE2 3.39Å; K345-E378 VanDerWaalsContact NZ-CD 3.26Å; K345-E378 IonicContact NZ-OE1 3.03Å; K345-E378 PolarHBondContact NZ-OE1 2.95Å; K345-E378 IonicContact NZ-OE2 3.89Å; K345-E378 PolarHBondContact NZ-OE2 3.46Å |
| 346 | N | 91.3 | Very high | 87.5 | Confident | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.4 | -27.2 | 176.3 | -76.2 | -55.1 | 0 | 0 | 0 | 113.6 | K342 K343 L344 Q350 | K342-N346 WeakPolarHBondContact O-CB 3.48Å; K342-N346 PolarHBondContact O-N 2.92Å; K342-N346 PolarHBondContact O-ND2 3.39Å; K343-N346 CarbonylContact O-C 3.43Å; K343-N346 PolarHBondContact O-N 3.4Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 2.75Å; N346-Q350 WeakPolarHBondContact O-CB 3.21Å; N346-Q350 VanDerWaalsContact O-CG 3.25Å; N346-Q350 WeakPolarHBondContact O-CG 3.41Å; N346-Q350 PolarHBondContact O-N 3.23Å; N346-Q350 PolarHBondContact O-NE2 3.09Å |
| 347 | G | 90.1 | Very high | 87 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.2 | -54.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K343 L344 K345 L349 Q350 L351 | K343-G347 PolarHBondContact O-N 3Å; L344-G347 WeakPolarHBondContact O-CA 3.31Å; L344-G347 PolarHBondContact O-N 3Å; K345-G347 VanDerWaalsContact C-N 3.32Å; K345-G347 PolarHBondContact O-N 3.03Å; G347-L349 PolarHBondContact O-N 2.97Å; G347-Q350 CarbonylContact O-C 3.59Å; G347-Q350 WeakPolarHBondContact O-CA 3.38Å; G347-Q350 WeakPolarHBondContact O-CB 3.37Å; G347-Q350 PolarHBondContact O-N 3.16Å; G347-L351 WeakPolarHBondContact O-CG 3.25Å; G347-L351 PolarHBondContact O-N 3.45Å |
| 348 | L | 90.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 176.7 | -71.6 | 163.9 | 0 | 0 | 0 | 112.3 | F321 L344 Q350 L351 L352 I365 L368 L369 L372 | F321-L348 HydrophobicContact CB-CD2 4.42Å; F321-L348 HydrophobicContact CD2-CD2 3.87Å; F321-L348 HydrophobicContact CD2-CG 3.98Å; L344-L348 HydrophobicContact CD1-CD1 4.4Å; L344-L348 HydrophobicContact CG-CD1 4.08Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 PolarHBondContact O-N 2.46Å; L348-Q350 PolarHBondContact O-N 3.49Å; L348-L351 PolarHBondContact O-N 2.74Å; L348-L352 WeakPolarHBondContact O-CB 3.38Å; L348-L352 PolarHBondContact O-N 2.66Å; L348-I365 HydrophobicContact CB-CG2 4.31Å; L348-I365 HydrophobicContact CD2-CB 4.49Å; L348-I365 HydrophobicContact CD2-CG1 4.16Å; L348-I365 HydrophobicContact CD2-CG2 4.09Å; L348-L368 HydrophobicContact CD1-CB 3.78Å; L348-L368 HydrophobicContact CD2-CD1 4.22Å; L348-L369 HydrophobicContact CB-CD1 4.29Å; L348-L369 HydrophobicContact CB-CD2 3.56Å; L348-L369 HydrophobicContact CB-CG 3.81Å; L348-L369 HydrophobicContact CD1-CD2 4.36Å; L348-L369 HydrophobicContact CD1-CG 4.43Å; L348-L372 HydrophobicContact CD1-CD1 3.65Å |
| 349 | L | 88.9 | Confident | 85.8 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -23.4 | 172.8 | -74.5 | 173.5 | 0 | 0 | 0 | 113.6 | K345 G347 R353 L369 E378 A382 | K345-L349 HydrophobicContact CG-CD1 3.97Å; K345-L349 HydrophobicContact CG-CG 4.48Å; K345-L349 VanDerWaalsContact O-CB 3.28Å; K345-L349 WeakPolarHBondContact O-CB 3.31Å; K345-L349 VanDerWaalsContact O-CG 3.25Å; K345-L349 WeakPolarHBondContact O-CG 3.49Å; K345-L349 PolarHBondContact O-N 3.33Å; G347-L349 PolarHBondContact O-N 2.97Å; L349-R353 WeakPolarHBondContact O-CG 3.46Å; L349-L369 HydrophobicContact CD2-CD1 3.96Å; L349-L369 HydrophobicContact CD2-CD2 4.08Å; L349-L369 HydrophobicContact CG-CD1 4.43Å; L349-L369 HydrophobicContact CG-CD2 3.79Å; L349-E378 HydrophobicContact CD1-CB 4.4Å; L349-E378 HydrophobicContact CD2-CB 4.28Å; L349-A382 HydrophobicContact CD2-CB 4.31Å |
| 350 | Q | 86.8 | Confident | 85.3 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -83 | -36.3 | 171.6 | -79.6 | 179.2 | 83.6 | 0 | 0 | 112.4 | V304 N346 G347 L348 R353 | V304-Q350 HydrophobicContact CG1-CB 4.13Å; N346-Q350 WeakPolarHBondContact O-CB 3.21Å; N346-Q350 VanDerWaalsContact O-CG 3.25Å; N346-Q350 WeakPolarHBondContact O-CG 3.41Å; N346-Q350 PolarHBondContact O-N 3.23Å; N346-Q350 PolarHBondContact O-NE2 3.09Å; G347-Q350 CarbonylContact O-C 3.59Å; G347-Q350 WeakPolarHBondContact O-CA 3.38Å; G347-Q350 WeakPolarHBondContact O-CB 3.37Å; G347-Q350 PolarHBondContact O-N 3.16Å; L348-Q350 PolarHBondContact O-N 3.49Å; Q350-R353 PolarHBondContact O-N 3.27Å |
| 351 | L | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 171.7 | -62.9 | -179 | 0 | 0 | 0 | 110.4 | V304 A307 M314 V317 F321 G347 L348 R353 H354 A357 I365 | V304-L351 HydrophobicContact CG1-CD2 4.22Å; V304-L351 HydrophobicContact CG2-CD2 4.37Å; V304-L351 HydrophobicContact CG2-CG 4.43Å; A307-L351 HydrophobicContact CB-CD2 3.58Å; M314-L351 HydrophobicContact CE-CD2 4.26Å; M314-L351 HydrophobicContact SD-CB 4.42Å; M314-L351 HydrophobicContact SD-CD1 4.3Å; M314-L351 HydrophobicContact SD-CD2 4Å; M314-L351 HydrophobicContact SD-CG 4.46Å; V317-L351 HydrophobicContact CG1-CD1 4.01Å; F321-L351 HydrophobicContact CD2-CD1 4.07Å; F321-L351 HydrophobicContact CE2-CD1 3.95Å; G347-L351 WeakPolarHBondContact O-CG 3.25Å; G347-L351 PolarHBondContact O-N 3.45Å; L348-L351 PolarHBondContact O-N 2.74Å; L351-R353 PolarHBondContact O-N 3.29Å; L351-H354 WeakPolarHBondContact O-CA 3.32Å; L351-H354 WeakPolarHBondContact O-CB 3.08Å; L351-H354 PolarHBondContact O-N 2.94Å; L351-A357 HydrophobicContact CB-CB 4.44Å; L351-A357 WeakPolarHBondContact O-CB 3.26Å; L351-I365 HydrophobicContact CB-CD1 4.46Å |
| 352 | L | 85.9 | Confident | 85 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -9.8 | 178.8 | -159.7 | 64.1 | 0 | 0 | 0 | 113.9 | L348 V358 Q362 I365 L369 V379 A382 L383 H386 | L348-L352 WeakPolarHBondContact O-CB 3.38Å; L348-L352 PolarHBondContact O-N 2.66Å; L352-V358 HydrophobicContact CD1-CG2 3.92Å; L352-V358 HydrophobicContact CG-CG2 4.46Å; L352-V358 WeakPolarHBondContact O-CG2 3.43Å; L352-Q362 HydrophobicContact CD1-CG 4.48Å; L352-I365 HydrophobicContact CB-CG2 4.16Å; L352-I365 HydrophobicContact CD1-CB 4.45Å; L352-I365 HydrophobicContact CD1-CG2 3.94Å; L352-I365 HydrophobicContact CD2-CG2 4.43Å; L352-I365 HydrophobicContact CG-CG2 4.42Å; L352-L369 HydrophobicContact CD2-CD1 3.78Å; L352-V379 HydrophobicContact CD2-CG1 3.91Å; L352-A382 HydrophobicContact CB-CB 4.06Å; L352-A382 HydrophobicContact CD2-CB 4Å; L352-A382 HydrophobicContact CG-CB 4.1Å; L352-L383 HydrophobicContact CD1-CD2 3.9Å; L352-L383 HydrophobicContact CD2-CD2 4.26Å; L352-L383 HydrophobicContact CD2-CG 4.14Å; L352-L383 HydrophobicContact CG-CD2 3.99Å; L352-L383 HydrophobicContact CG-CG 4.32Å; L352-H386 PolarHBondContact O-CD2 3.01Å; L352-H386 PolarHBondContact O-NE2 3.34Å |
| 353 | R | 83 | Confident | 84.8 | Confident | 148 Ų | 148 | 41 Ų | 41 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.3 | 167.5 | -67.8 | 175.1 | -172.1 | -169.5 | 1.4 | 113.8 | L349 Q350 L351 A382 H386 | L349-R353 WeakPolarHBondContact O-CG 3.46Å; Q350-R353 PolarHBondContact O-N 3.27Å; L351-R353 PolarHBondContact O-N 3.29Å; R353-A382 HydrophobicContact CG-CB 4.28Å; R353-H386 WeakPolarHBondContact CA-NE2 3.38Å; R353-H386 PolarHBondContact N-NE2 3.16Å; R353-H386 PolarHBondContact O-CE1 2.76Å; R353-H386 PolarHBondContact O-NE2 2.75Å; R353-H386 VanDerWaalsContact O-NE2 3.16Å |
| 354 | H | 82.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -100.4 | 130.5 | -179.6 | -166.1 | -88 | 0 | 0 | 0 | 110.5 | N213 K308 P311 M314 L351 A356 A357 H386 | N213-H354 PolarHBondContact O-CE1 3.48Å; N213-H354 PolarHBondContact O-NE2 3.02Å; K308-H354 PolarHBondContact O-NE2 2.81Å; P311-H354 VanDerWaalsContact CG-CE1 3.41Å; P311-H354 WeakPolarHBondContact CG-CE1 3.08Å; M314-H354 HydrophobicContact CE-CB 4.47Å; L351-H354 WeakPolarHBondContact O-CA 3.32Å; L351-H354 WeakPolarHBondContact O-CB 3.08Å; L351-H354 PolarHBondContact O-N 2.94Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 3.27Å; H354-A357 WeakPolarHBondContact O-CB 3.19Å; H354-A357 PolarHBondContact O-N 3.09Å; H354-H386 WeakPolarHBondContact CA-CE1 3.42Å; H354-H386 PolarHBondContact N-CE1 2.91Å; H354-H386 PolarHBondContact N-NE2 2.71Å; H354-H386 PolarHBondContact O-CE1 3.24Å; H354-H386 VanDerWaalsContact O-CE1 3.23Å |
| 355 | P | 77.6 | Confident | 84.6 | Confident | 67 Ų | 67 | 42.6 Ų | 42.6 | 44% | 0.435 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -32 | -168.1 | 22.1 | -33.5 | 0 | 0 | 0 | 113.2 | A357 V358 S359 H386 | P355-A357 VanDerWaalsContact C-N 3.26Å; P355-A357 PolarHBondContact O-N 2.85Å; P355-V358 PolarHBondContact O-N 3.3Å; P355-S359 PolarHBondContact O-N 3.27Å; P355-H386 WeakPolarHBondContact CA-CE1 3.09Å; P355-H386 WeakPolarHBondContact CD-CE1 3.37Å |
| 356 | A | 78.1 | Confident | 84.4 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.9 | -19.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P311 M314 H354 | P311-A356 HydrophobicContact CB-CB 3.79Å; P311-A356 HydrophobicContact CG-CB 4.46Å; M314-A356 HydrophobicContact CE-CB 4.47Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 3.27Å |
| 357 | A | 77.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.9 | -32.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M314 L351 H354 P355 F361 Q362 I365 | M314-A357 HydrophobicContact CE-CB 4.26Å; M314-A357 HydrophobicContact SD-CB 4.21Å; L351-A357 HydrophobicContact CB-CB 4.44Å; L351-A357 WeakPolarHBondContact O-CB 3.26Å; H354-A357 WeakPolarHBondContact O-CB 3.19Å; H354-A357 PolarHBondContact O-N 3.09Å; P355-A357 VanDerWaalsContact C-N 3.26Å; P355-A357 PolarHBondContact O-N 2.85Å; A357-F361 CarbonylContact O-C 3.57Å; A357-F361 VanDerWaalsContact O-C 3.29Å; A357-F361 WeakPolarHBondContact O-CA 3.34Å; A357-F361 WeakPolarHBondContact O-CB 3.48Å; A357-F361 PolarHBondContact O-N 2.87Å; A357-Q362 PolarHBondContact O-N 3.08Å; A357-I365 HydrophobicContact CB-CD1 3.84Å |
| 358 | V | 73.8 | Confident | 84.2 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -81.6 | -31.3 | -175 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | L352 P355 Q362 L383 H386 | L352-V358 HydrophobicContact CD1-CG2 3.92Å; L352-V358 HydrophobicContact CG-CG2 4.46Å; L352-V358 WeakPolarHBondContact O-CG2 3.43Å; P355-V358 PolarHBondContact O-N 3.3Å; V358-Q362 WeakPolarHBondContact O-CB 3.41Å; V358-L383 HydrophobicContact CG1-CD2 4.17Å; V358-L383 HydrophobicContact CG2-CD2 3.87Å; V358-H386 VanDerWaalsContact CG2-CD2 3.46Å; V358-H386 WeakPolarHBondContact CG2-CD2 3.21Å; V358-H386 WeakPolarHBondContact CG2-NE2 3.49Å |
| 359 | S | 74.7 | Confident | 84.1 | Confident | 87 Ų | 87 | 44.4 Ų | 44.4 | 61% | 0.608 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69.3 | -41.6 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 113 | P355 | P355-S359 PolarHBondContact O-N 3.27Å |
| 360 | D | 79.3 | Confident | 84 | Confident | 117 Ų | 117 | 47.7 Ų | 47.7 | 63% | 0.626 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -116.6 | -29.1 | -162.7 | -58.4 | 9.9 | 0 | 0 | 0 | 112.8 | ||
| 361 | F | 85.2 | Confident | 84.1 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 11% | 0.114 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -121.3 | 3.9 | -168.5 | -53.3 | -76.4 | 0 | 0 | 0 | 114.3 | M314 D315 V318 A357 G363 R364 I365 | M314-F361 HydrophobicContact CB-CD2 4.37Å; M314-F361 HydrophobicContact CB-CE2 3.94Å; M314-F361 HydrophobicContact CG-CD2 3.54Å; M314-F361 HydrophobicContact CG-CE2 3.62Å; M314-F361 HydrophobicContact CG-CG 4.39Å; D315-F361 HydrophobicContact CB-CE1 3.65Å; D315-F361 HydrophobicContact CB-CZ 3.63Å; D315-F361 WeakPolarHBondContact OD1-CE1 3.17Å; V318-F361 HydrophobicContact CG2-CB 4.28Å; V318-F361 HydrophobicContact CG2-CD1 4.45Å; V318-F361 HydrophobicContact CG2-CG 4.29Å; A357-F361 CarbonylContact O-C 3.57Å; A357-F361 VanDerWaalsContact O-C 3.29Å; A357-F361 WeakPolarHBondContact O-CA 3.34Å; A357-F361 WeakPolarHBondContact O-CB 3.48Å; A357-F361 PolarHBondContact O-N 2.87Å; F361-G363 VanDerWaalsContact C-N 3.27Å; F361-G363 PolarHBondContact O-N 2.57Å; F361-G363 VanDerWaalsContact O-N 3.17Å; F361-R364 PolarHBondContact O-N 2.76Å; F361-I365 HydrophobicContact CB-CD1 3.71Å; F361-I365 HydrophobicContact CB-CG1 4.16Å; F361-I365 WeakPolarHBondContact O-CB 3.47Å; F361-I365 WeakPolarHBondContact O-CG1 3.22Å; F361-I365 PolarHBondContact O-N 2.88Å |
| 362 | Q | 86.4 | Confident | 84.1 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -52.8 | -42.9 | -175 | 179.2 | 177.7 | -21.5 | 0 | 0 | 112.3 | L352 A357 V358 T366 L383 | L352-Q362 HydrophobicContact CD1-CG 4.48Å; A357-Q362 PolarHBondContact O-N 3.08Å; V358-Q362 WeakPolarHBondContact O-CB 3.41Å; Q362-T366 WeakPolarHBondContact O-CB 3.45Å; Q362-T366 PolarHBondContact O-N 3.22Å; Q362-T366 PolarHBondContact O-OG1 3.43Å; Q362-L383 HydrophobicContact CG-CD2 4.14Å |
| 363 | G | 85.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -60.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F361 I365 T366 I367 | F361-G363 VanDerWaalsContact C-N 3.27Å; F361-G363 PolarHBondContact O-N 2.57Å; F361-G363 VanDerWaalsContact O-N 3.17Å; G363-I365 VanDerWaalsContact C-N 3.33Å; G363-I365 PolarHBondContact O-N 3.35Å; G363-T366 PolarHBondContact O-N 3.12Å; G363-I367 WeakPolarHBondContact O-CG1 3.02Å; G363-I367 PolarHBondContact O-N 2.76Å |
| 364 | R | 89 | Confident | 84.2 | Confident | 78 Ų | 78 | 45.2 Ų | 45.2 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -53.6 | -47.4 | 178.3 | -70.7 | 166.4 | 68.1 | -169.7 | 1.7 | 112 | D315 V318 E322 F361 T366 I367 L368 | D315-R364 IonicContact OD1-CZ 2.82Å; D315-R364 IonicContact OD1-NH1 3.28Å; D315-R364 PolarHBondContact OD1-NH1 2.82Å; D315-R364 IonicContact OD1-NH2 3.31Å; V318-R364 HydrophobicContact CG1-CB 4.16Å; E322-R364 VanDerWaalsContact CD-NH2 3.33Å; E322-R364 IonicContact OE1-CZ 2.67Å; E322-R364 IonicContact OE1-NE 3.36Å; E322-R364 PolarHBondContact OE1-NE 3.11Å; E322-R364 IonicContact OE1-NH2 2.61Å; E322-R364 PolarHBondContact OE1-NH2 2.8Å; E322-R364 IonicContact OE2-CZ 3.19Å; E322-R364 IonicContact OE2-NE 3.02Å; E322-R364 IonicContact OE2-NH2 2.8Å; E322-R364 PolarHBondContact OE2-NH2 3.11Å; F361-R364 PolarHBondContact O-N 2.76Å; R364-T366 VanDerWaalsContact C-N 3.34Å; R364-T366 PolarHBondContact O-N 3.27Å; R364-I367 PolarHBondContact O-N 3.25Å; R364-L368 WeakPolarHBondContact O-CD1 3.41Å; R364-L368 WeakPolarHBondContact O-CG 3.46Å; R364-L368 PolarHBondContact O-N 3.18Å; R364-L368 VanDerWaalsContact O-N 3.12Å |
| 365 | I | 89.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 179 | -65.6 | 171.4 | 0 | 0 | 0 | 111.9 | V318 L348 L351 L352 A357 F361 G363 L369 | V318-I365 HydrophobicContact CG1-CG1 4.32Å; V318-I365 HydrophobicContact CG2-CD1 3.9Å; V318-I365 HydrophobicContact CG2-CG1 3.99Å; L348-I365 HydrophobicContact CB-CG2 4.31Å; L348-I365 HydrophobicContact CD2-CB 4.49Å; L348-I365 HydrophobicContact CD2-CG1 4.16Å; L348-I365 HydrophobicContact CD2-CG2 4.09Å; L351-I365 HydrophobicContact CB-CD1 4.46Å; L352-I365 HydrophobicContact CB-CG2 4.16Å; L352-I365 HydrophobicContact CD1-CB 4.45Å; L352-I365 HydrophobicContact CD1-CG2 3.94Å; L352-I365 HydrophobicContact CD2-CG2 4.43Å; L352-I365 HydrophobicContact CG-CG2 4.42Å; A357-I365 HydrophobicContact CB-CD1 3.84Å; F361-I365 HydrophobicContact CB-CD1 3.71Å; F361-I365 HydrophobicContact CB-CG1 4.16Å; F361-I365 WeakPolarHBondContact O-CB 3.47Å; F361-I365 WeakPolarHBondContact O-CG1 3.22Å; F361-I365 PolarHBondContact O-N 2.88Å; G363-I365 VanDerWaalsContact C-N 3.33Å; G363-I365 PolarHBondContact O-N 3.35Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.33Å; I365-L369 VanDerWaalsContact O-CB 3.22Å; I365-L369 WeakPolarHBondContact O-CB 3.24Å; I365-L369 WeakPolarHBondContact O-CD1 3.41Å; I365-L369 WeakPolarHBondContact O-CG 3.46Å; I365-L369 PolarHBondContact O-N 3.4Å |
| 366 | T | 87.5 | Confident | 84.8 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 24% | 0.239 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.4 | -37.4 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 112 | Q362 G363 R364 L369 T370 V379 | Q362-T366 WeakPolarHBondContact O-CB 3.45Å; Q362-T366 PolarHBondContact O-N 3.22Å; Q362-T366 PolarHBondContact O-OG1 3.43Å; G363-T366 PolarHBondContact O-N 3.12Å; R364-T366 VanDerWaalsContact C-N 3.34Å; R364-T366 PolarHBondContact O-N 3.27Å; T366-L369 PolarHBondContact O-N 3.36Å; T366-T370 PolarHBondContact O-N 2.93Å; T366-T370 PolarHBondContact O-OG1 2.91Å; T366-V379 HydrophobicContact CG2-CG1 4.19Å |
| 367 | I | 88 | Confident | 85.1 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.8 | -61.8 | 173.1 | -66.3 | 162.8 | 0 | 0 | 0 | 108.8 | G363 R364 L369 T370 D371 | G363-I367 WeakPolarHBondContact O-CG1 3.02Å; G363-I367 PolarHBondContact O-N 2.76Å; R364-I367 PolarHBondContact O-N 3.25Å; I367-L369 PolarHBondContact O-N 3.19Å; I367-T370 WeakPolarHBondContact O-CA 3.43Å; I367-T370 VanDerWaalsContact O-CB 3.26Å; I367-T370 WeakPolarHBondContact O-CB 3.32Å; I367-T370 PolarHBondContact O-N 3.17Å; I367-D371 VanDerWaalsContact C-OD2 3.3Å; I367-D371 WeakPolarHBondContact CG2-OD2 3.4Å; I367-D371 PolarHBondContact O-N 3.45Å; I367-D371 VanDerWaalsContact O-OD1 3.09Å |
| 368 | L | 88.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.3 | -33.4 | 178.7 | -64.3 | 164.7 | 0 | 0 | 0 | 114.1 | V318 E322 H325 L348 R364 D371 L372 | V318-L368 HydrophobicContact CG1-CD1 4.48Å; E322-L368 HydrophobicContact CG-CD1 3.52Å; E322-L368 HydrophobicContact CG-CD2 3.96Å; E322-L368 HydrophobicContact CG-CG 4.21Å; H325-L368 HydrophobicContact CB-CD2 4.32Å; L348-L368 HydrophobicContact CD1-CB 3.78Å; L348-L368 HydrophobicContact CD2-CD1 4.22Å; R364-L368 WeakPolarHBondContact O-CD1 3.41Å; R364-L368 WeakPolarHBondContact O-CG 3.46Å; R364-L368 PolarHBondContact O-N 3.18Å; R364-L368 VanDerWaalsContact O-N 3.12Å; L368-D371 WeakPolarHBondContact CA-OD2 3.34Å; L368-D371 PolarHBondContact N-OD2 3.31Å; L368-L372 WeakPolarHBondContact O-CB 3.41Å; L368-L372 VanDerWaalsContact O-CD1 3.22Å; L368-L372 WeakPolarHBondContact O-CD1 3.28Å; L368-L372 WeakPolarHBondContact O-CG 3.1Å; L368-L372 PolarHBondContact O-N 3.41Å |
| 369 | L | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 174.7 | -81.8 | 173.2 | 0 | 0 | 0 | 112 | K345 L348 L349 L352 I365 T366 I367 L372 G373 A374 V379 | K345-L369 HydrophobicContact CG-CD2 4.15Å; L348-L369 HydrophobicContact CB-CD1 4.29Å; L348-L369 HydrophobicContact CB-CD2 3.56Å; L348-L369 HydrophobicContact CB-CG 3.81Å; L348-L369 HydrophobicContact CD1-CD2 4.36Å; L348-L369 HydrophobicContact CD1-CG 4.43Å; L349-L369 HydrophobicContact CD2-CD1 3.96Å; L349-L369 HydrophobicContact CD2-CD2 4.08Å; L349-L369 HydrophobicContact CG-CD1 4.43Å; L349-L369 HydrophobicContact CG-CD2 3.79Å; L352-L369 HydrophobicContact CD2-CD1 3.78Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.33Å; I365-L369 VanDerWaalsContact O-CB 3.22Å; I365-L369 WeakPolarHBondContact O-CB 3.24Å; I365-L369 WeakPolarHBondContact O-CD1 3.41Å; I365-L369 WeakPolarHBondContact O-CG 3.46Å; I365-L369 PolarHBondContact O-N 3.4Å; T366-L369 PolarHBondContact O-N 3.36Å; I367-L369 PolarHBondContact O-N 3.19Å; L369-L372 CarbonylContact O-C 3.58Å; L369-L372 PolarHBondContact O-N 3.43Å; L369-G373 PolarHBondContact O-N 3.5Å; L369-A374 HydrophobicContact CB-CB 3.78Å; L369-A374 HydrophobicContact CD2-CB 4Å; L369-A374 HydrophobicContact CG-CB 4.44Å; L369-A374 WeakPolarHBondContact O-CA 3.39Å; L369-A374 WeakPolarHBondContact O-CB 3.48Å; L369-A374 PolarHBondContact O-N 3.13Å; L369-V379 HydrophobicContact CB-CG2 4.18Å; L369-V379 HydrophobicContact CD1-CG2 4.29Å |
| 370 | T | 87.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 174.4 | -52 | 0 | 0 | 0 | 0 | 110.1 | T366 I367 L372 G373 | T366-T370 PolarHBondContact O-N 2.93Å; T366-T370 PolarHBondContact O-OG1 2.91Å; I367-T370 WeakPolarHBondContact O-CA 3.43Å; I367-T370 VanDerWaalsContact O-CB 3.26Å; I367-T370 WeakPolarHBondContact O-CB 3.32Å; I367-T370 PolarHBondContact O-N 3.17Å; T370-L372 PolarHBondContact O-N 2.89Å; T370-L372 VanDerWaalsContact O-N 3.07Å; T370-G373 PolarHBondContact O-N 3.08Å |
| 371 | D | 88 | Confident | 86.4 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 40% | 0.401 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17 | 177.7 | -40.7 | -26 | 0 | 0 | 0 | 113.6 | H325 I367 L368 | H325-D371 WeakPolarHBondContact NE2-CB 3.37Å; I367-D371 VanDerWaalsContact C-OD2 3.3Å; I367-D371 WeakPolarHBondContact CG2-OD2 3.4Å; I367-D371 PolarHBondContact O-N 3.45Å; I367-D371 VanDerWaalsContact O-OD1 3.09Å; L368-D371 WeakPolarHBondContact CA-OD2 3.34Å; L368-D371 PolarHBondContact N-OD2 3.31Å |
| 372 | L | 88.8 | Confident | 86 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 15.3 | 175.1 | -68.6 | 168.5 | 0 | 0 | 0 | 113.4 | R341 L344 K345 L348 L368 L369 T370 A374 | R341-L372 HydrophobicContact CB-CD2 3.86Å; R341-L372 HydrophobicContact CG-CD2 3.87Å; L344-L372 HydrophobicContact CB-CD1 3.98Å; L344-L372 HydrophobicContact CD2-CD1 3.65Å; L344-L372 HydrophobicContact CD2-CD2 4.18Å; L344-L372 HydrophobicContact CG-CD1 3.58Å; K345-L372 HydrophobicContact CB-CB 4.26Å; L348-L372 HydrophobicContact CD1-CD1 3.65Å; L368-L372 WeakPolarHBondContact O-CB 3.41Å; L368-L372 VanDerWaalsContact O-CD1 3.22Å; L368-L372 WeakPolarHBondContact O-CD1 3.28Å; L368-L372 WeakPolarHBondContact O-CG 3.1Å; L368-L372 PolarHBondContact O-N 3.41Å; L369-L372 CarbonylContact O-C 3.58Å; L369-L372 PolarHBondContact O-N 3.43Å; T370-L372 PolarHBondContact O-N 2.89Å; T370-L372 VanDerWaalsContact O-N 3.07Å; L372-A374 PolarHBondContact O-N 3.41Å |
| 373 | G | 86 | Confident | 85.5 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 57% | 0.567 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K345 L369 T370 | K345-G373 PolarHBondContact NZ-O 3.1Å; L369-G373 PolarHBondContact O-N 3.5Å; T370-G373 PolarHBondContact O-N 3.08Å |
| 374 | A | 85.8 | Confident | 84.2 | Confident | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -77.1 | 119.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | K345 L369 L372 V379 | K345-A374 HydrophobicContact CD-CB 4.25Å; K345-A374 HydrophobicContact CG-CB 4.45Å; L369-A374 HydrophobicContact CB-CB 3.78Å; L369-A374 HydrophobicContact CD2-CB 4Å; L369-A374 HydrophobicContact CG-CB 4.44Å; L369-A374 WeakPolarHBondContact O-CA 3.39Å; L369-A374 WeakPolarHBondContact O-CB 3.48Å; L369-A374 PolarHBondContact O-N 3.13Å; L372-A374 PolarHBondContact O-N 3.41Å; A374-V379 HydrophobicContact CB-CG2 3.94Å | ||
| 375 | T | 87.6 | Confident | 82.7 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | trans | -62.2 | 143.8 | 173.8 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | A377 E378 V379 | T375-A377 PolarHBondContact O-N 3.48Å; T375-E378 PolarHBondContact N-OE2 3.09Å; T375-E378 WeakPolarHBondContact O-CB 3.38Å; T375-E378 PolarHBondContact O-N 3.33Å; T375-E378 VanDerWaalsContact OG1-CG 3.3Å; T375-E378 WeakPolarHBondContact OG1-CG 3.19Å; T375-E378 PolarHBondContact OG1-N 2.92Å; T375-E378 PolarHBondContact OG1-OE2 3.15Å; T375-V379 PolarHBondContact O-N 3.47Å; T375-V379 VanDerWaalsContact O-N 3.12Å | ||
| 376 | H | 83.6 | Confident | 81 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 66% | 0.657 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -53.1 | -25.5 | 174 | -174.1 | -119.7 | 0 | 0 | 0 | 112.4 | L380 | H376-L380 VanDerWaalsContact CE1-CD1 3.49Å; H376-L380 WeakPolarHBondContact CE1-CD1 3.44Å; H376-L380 WeakPolarHBondContact O-CB 3.5Å; H376-L380 VanDerWaalsContact O-CG 3.23Å; H376-L380 WeakPolarHBondContact O-CG 3.04Å; H376-L380 PolarHBondContact O-N 2.61Å |
| 377 | A | 85.5 | Confident | 79 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 56% | 0.562 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.1 | -38.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T375 Q381 | T375-A377 PolarHBondContact O-N 3.48Å; A377-Q381 VanDerWaalsContact O-CB 3.25Å; A377-Q381 WeakPolarHBondContact O-CB 3.48Å; A377-Q381 PolarHBondContact O-N 3.33Å |
| 378 | E | 85.7 | Confident | 76.9 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 173.5 | -73.3 | 163.1 | 117.3 | 0 | 0 | 111.1 | K345 L349 T375 Q381 A382 | K345-E378 WeakPolarHBondContact CE-OE1 3.45Å; K345-E378 WeakPolarHBondContact CE-OE2 3.39Å; K345-E378 VanDerWaalsContact NZ-CD 3.26Å; K345-E378 IonicContact NZ-OE1 3.03Å; K345-E378 PolarHBondContact NZ-OE1 2.95Å; K345-E378 IonicContact NZ-OE2 3.89Å; K345-E378 PolarHBondContact NZ-OE2 3.46Å; L349-E378 HydrophobicContact CD1-CB 4.4Å; L349-E378 HydrophobicContact CD2-CB 4.28Å; T375-E378 PolarHBondContact N-OE2 3.09Å; T375-E378 WeakPolarHBondContact O-CB 3.38Å; T375-E378 PolarHBondContact O-N 3.33Å; T375-E378 VanDerWaalsContact OG1-CG 3.3Å; T375-E378 WeakPolarHBondContact OG1-CG 3.19Å; T375-E378 PolarHBondContact OG1-N 2.92Å; T375-E378 PolarHBondContact OG1-OE2 3.15Å; E378-Q381 PolarHBondContact O-N 3.25Å; E378-A382 PolarHBondContact O-N 3.02Å; E378-A382 VanDerWaalsContact O-N 3.07Å |
| 379 | V | 83.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | L352 T366 L369 A374 T375 Q381 A382 L383 | L352-V379 HydrophobicContact CD2-CG1 3.91Å; T366-V379 HydrophobicContact CG2-CG1 4.19Å; L369-V379 HydrophobicContact CB-CG2 4.18Å; L369-V379 HydrophobicContact CD1-CG2 4.29Å; A374-V379 HydrophobicContact CB-CG2 3.94Å; T375-V379 PolarHBondContact O-N 3.47Å; T375-V379 VanDerWaalsContact O-N 3.12Å; V379-Q381 VanDerWaalsContact C-N 3.31Å; V379-Q381 PolarHBondContact O-N 2.82Å; V379-A382 PolarHBondContact O-N 3.24Å; V379-L383 HydrophobicContact CG1-CD1 4.1Å; V379-L383 WeakPolarHBondContact O-CG 3.42Å; V379-L383 PolarHBondContact O-N 2.94Å |
| 380 | L | 81.1 | Confident | 72.3 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 174.8 | -79.4 | 177.1 | 0 | 0 | 0 | 112.4 | H376 A382 L383 Q384 | H376-L380 VanDerWaalsContact CE1-CD1 3.49Å; H376-L380 WeakPolarHBondContact CE1-CD1 3.44Å; H376-L380 WeakPolarHBondContact O-CB 3.5Å; H376-L380 VanDerWaalsContact O-CG 3.23Å; H376-L380 WeakPolarHBondContact O-CG 3.04Å; H376-L380 PolarHBondContact O-N 2.61Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-A382 PolarHBondContact O-N 3.19Å; L380-L383 PolarHBondContact O-N 3.47Å; L380-Q384 VanDerWaalsContact O-CB 3.26Å; L380-Q384 WeakPolarHBondContact O-CB 3.12Å; L380-Q384 WeakPolarHBondContact O-CG 3.29Å; L380-Q384 PolarHBondContact O-N 2.9Å |
| 381 | Q | 82.1 | Confident | 69.6 | Low | 132 Ų | 132 | 67.2 Ų | 67.2 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.9 | -35.4 | 178.3 | -176.8 | 171.5 | 63.5 | 0 | 0 | 112.2 | A377 E378 V379 | A377-Q381 VanDerWaalsContact O-CB 3.25Å; A377-Q381 WeakPolarHBondContact O-CB 3.48Å; A377-Q381 PolarHBondContact O-N 3.33Å; E378-Q381 PolarHBondContact O-N 3.25Å; V379-Q381 VanDerWaalsContact C-N 3.31Å; V379-Q381 PolarHBondContact O-N 2.82Å |
| 382 | A | 77 | Confident | 67.3 | Low | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.025 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L349 L352 R353 E378 V379 L380 Q384 S385 | L349-A382 HydrophobicContact CD2-CB 4.31Å; L352-A382 HydrophobicContact CB-CB 4.06Å; L352-A382 HydrophobicContact CD2-CB 4Å; L352-A382 HydrophobicContact CG-CB 4.1Å; R353-A382 HydrophobicContact CG-CB 4.28Å; E378-A382 PolarHBondContact O-N 3.02Å; E378-A382 VanDerWaalsContact O-N 3.07Å; V379-A382 PolarHBondContact O-N 3.24Å; L380-A382 VanDerWaalsContact C-N 3.34Å; L380-A382 PolarHBondContact O-N 3.19Å; A382-Q384 PolarHBondContact O-N 3.47Å; A382-S385 PolarHBondContact O-N 2.99Å; A382-S385 PolarHBondContact O-OG 2.9Å |
| 383 | L | 75.5 | Confident | 65 | Low | 29 Ų | 29 | 77.2 Ų | 77.2 | 15% | 0.152 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 178.6 | -68.3 | 171 | 0 | 0 | 0 | 113.5 | L352 V358 Q362 V379 L380 S385 H386 T387 | L352-L383 HydrophobicContact CD1-CD2 3.9Å; L352-L383 HydrophobicContact CD2-CD2 4.26Å; L352-L383 HydrophobicContact CD2-CG 4.14Å; L352-L383 HydrophobicContact CG-CD2 3.99Å; L352-L383 HydrophobicContact CG-CG 4.32Å; V358-L383 HydrophobicContact CG1-CD2 4.17Å; V358-L383 HydrophobicContact CG2-CD2 3.87Å; Q362-L383 HydrophobicContact CG-CD2 4.14Å; V379-L383 HydrophobicContact CG1-CD1 4.1Å; V379-L383 WeakPolarHBondContact O-CG 3.42Å; V379-L383 PolarHBondContact O-N 2.94Å; L380-L383 PolarHBondContact O-N 3.47Å; L383-S385 PolarHBondContact O-N 3.1Å; L383-H386 WeakPolarHBondContact O-CB 3.32Å; L383-H386 PolarHBondContact O-N 2.98Å; L383-T387 PolarHBondContact O-N 2.88Å |
| 384 | Q | 59.6 | Low | 62.5 | Low | 107 Ų | 107 | 80.9 Ų | 80.9 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -28.5 | 179.5 | -80 | 165.6 | 11.3 | 0 | 0 | 112.7 | L380 A382 H386 T387 E388 | L380-Q384 VanDerWaalsContact O-CB 3.26Å; L380-Q384 WeakPolarHBondContact O-CB 3.12Å; L380-Q384 WeakPolarHBondContact O-CG 3.29Å; L380-Q384 PolarHBondContact O-N 2.9Å; A382-Q384 PolarHBondContact O-N 3.47Å; Q384-H386 PolarHBondContact O-N 3.25Å; Q384-T387 PolarHBondContact O-N 2.94Å; Q384-T387 VanDerWaalsContact O-N 3.09Å; Q384-E388 PolarHBondContact O-N 3.32Å |
| 385 | S | 56.2 | Low | 59.9 | Low | 43 Ų | 43 | 90.9 Ų | 90.9 | 30% | 0.301 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.6 | -31.3 | 173.8 | 72.5 | 0 | 0 | 0 | 0 | 112.8 | A382 L383 L389 | A382-S385 PolarHBondContact O-N 2.99Å; A382-S385 PolarHBondContact O-OG 2.9Å; L383-S385 PolarHBondContact O-N 3.1Å; S385-L389 WeakPolarHBondContact O-CG 3.31Å; S385-L389 PolarHBondContact O-N 3.28Å |
| 386 | H | 53.2 | Low | 57.3 | Low | 17 Ų | 17 | 93 Ų | 93 | 8% | 0.079 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -77.8 | -29 | 173.7 | -64.8 | -69.2 | 0 | 0 | 0 | 113.6 | L352 R353 H354 P355 V358 L383 Q384 E388 L389 S390 | L352-H386 PolarHBondContact O-CD2 3.01Å; L352-H386 PolarHBondContact O-NE2 3.34Å; R353-H386 WeakPolarHBondContact CA-NE2 3.38Å; R353-H386 PolarHBondContact N-NE2 3.16Å; R353-H386 PolarHBondContact O-CE1 2.76Å; R353-H386 PolarHBondContact O-NE2 2.75Å; R353-H386 VanDerWaalsContact O-NE2 3.16Å; H354-H386 WeakPolarHBondContact CA-CE1 3.42Å; H354-H386 PolarHBondContact N-CE1 2.91Å; H354-H386 PolarHBondContact N-NE2 2.71Å; H354-H386 PolarHBondContact O-CE1 3.24Å; H354-H386 VanDerWaalsContact O-CE1 3.23Å; P355-H386 WeakPolarHBondContact CA-CE1 3.09Å; P355-H386 WeakPolarHBondContact CD-CE1 3.37Å; V358-H386 VanDerWaalsContact CG2-CD2 3.46Å; V358-H386 WeakPolarHBondContact CG2-CD2 3.21Å; V358-H386 WeakPolarHBondContact CG2-NE2 3.49Å; L383-H386 WeakPolarHBondContact O-CB 3.32Å; L383-H386 PolarHBondContact O-N 2.98Å; Q384-H386 PolarHBondContact O-N 3.25Å; H386-E388 VanDerWaalsContact C-N 3.29Å; H386-E388 PolarHBondContact O-N 2.87Å; H386-L389 PolarHBondContact O-N 3.3Å; H386-S390 VanDerWaalsContact O-CB 3.22Å; H386-S390 WeakPolarHBondContact O-CB 3.33Å; H386-S390 PolarHBondContact O-N 3.07Å; H386-S390 PolarHBondContact O-OG 3Å |
| 387 | T | 47 | Very low | 54.8 | Low | 60 Ų | 60 | 94 Ų | 94 | 37% | 0.368 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 177.6 | -32.5 | 0 | 0 | 0 | 0 | 110.5 | L383 Q384 R391 | L383-T387 PolarHBondContact O-N 2.88Å; Q384-T387 PolarHBondContact O-N 2.94Å; Q384-T387 VanDerWaalsContact O-N 3.09Å; T387-R391 WeakPolarHBondContact O-CB 3.47Å; T387-R391 WeakPolarHBondContact O-CG 3.44Å; T387-R391 PolarHBondContact O-N 2.94Å |
| 388 | E | 42.7 | Very low | 52.1 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.7 | -47.7 | 173 | -63.8 | -61.2 | 95.2 | 0 | 0 | 111.9 | Q384 H386 S390 R391 A392 | Q384-E388 PolarHBondContact O-N 3.32Å; H386-E388 VanDerWaalsContact C-N 3.29Å; H386-E388 PolarHBondContact O-N 2.87Å; E388-S390 VanDerWaalsContact C-N 3.25Å; E388-S390 PolarHBondContact O-N 3.41Å; E388-R391 PolarHBondContact O-N 3.48Å; E388-R391 IonicContact OE1-NH1 2.69Å; E388-R391 PolarHBondContact OE1-NH1 3.21Å; E388-A392 WeakPolarHBondContact O-CB 2.9Å; E388-A392 PolarHBondContact O-N 3.07Å |
| 389 | L | 41.8 | Very low | 49.4 | Very low | 99 Ų | 99 | 98 Ų | 98 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -31.2 | 176.1 | -77.3 | 165.5 | 0 | 0 | 0 | 113.3 | S385 H386 | S385-L389 WeakPolarHBondContact O-CG 3.31Å; S385-L389 PolarHBondContact O-N 3.28Å; H386-L389 PolarHBondContact O-N 3.3Å |
| 390 | S | 38.9 | Very low | 47.1 | Very low | 64 Ų | 64 | 103.6 Ų | 103.6 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78 | -39.1 | 176.4 | -58 | 0 | 0 | 0 | 0 | 112 | H386 E388 A392 R393 | H386-S390 VanDerWaalsContact O-CB 3.22Å; H386-S390 WeakPolarHBondContact O-CB 3.33Å; H386-S390 PolarHBondContact O-N 3.07Å; H386-S390 PolarHBondContact O-OG 3Å; E388-S390 VanDerWaalsContact C-N 3.25Å; E388-S390 PolarHBondContact O-N 3.41Å; S390-A392 VanDerWaalsContact C-N 3.34Å; S390-R393 PolarHBondContact O-N 3.29Å |
| 391 | R | 33 | Very low | 44.7 | Very low | 155 Ų | 155 | 110.4 Ų | 110.4 | 59% | 0.585 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.3 | -39.8 | 172 | -77.6 | 179.6 | -174.4 | 118.9 | 6.9 | 112 | T387 E388 R393 L394 | T387-R391 WeakPolarHBondContact O-CB 3.47Å; T387-R391 WeakPolarHBondContact O-CG 3.44Å; T387-R391 PolarHBondContact O-N 2.94Å; E388-R391 PolarHBondContact O-N 3.48Å; E388-R391 IonicContact OE1-NH1 2.69Å; E388-R391 PolarHBondContact OE1-NH1 3.21Å; R391-R393 PolarHBondContact O-N 2.84Å; R391-R393 VanDerWaalsContact O-N 3.08Å; R391-L394 PolarHBondContact O-N 3.16Å |
| 392 | A | 39.6 | Very low | 42.7 | Very low | 85 Ų | 85 | 112.4 Ų | 112.4 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -12.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E388 S390 | E388-A392 WeakPolarHBondContact O-CB 2.9Å; E388-A392 PolarHBondContact O-N 3.07Å; S390-A392 VanDerWaalsContact C-N 3.34Å |
| 393 | R | 40.6 | Very low | 40.8 | Very low | 221 Ų | 221 | 118.2 Ų | 118.2 | 83% | 0.834 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 1.2 | 174.8 | -69.8 | -179.4 | 175 | -163.4 | -1.8 | 114.1 | S390 R391 | S390-R393 PolarHBondContact O-N 3.29Å; R391-R393 PolarHBondContact O-N 2.84Å; R391-R393 VanDerWaalsContact O-N 3.08Å |
| 394 | L | 32.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -127.7 | 24.9 | -167.4 | -80.3 | 171.1 | 0 | 0 | 0 | 115.6 | R391 | R391-L394 PolarHBondContact O-N 3.16Š|
| 395 | Y | 31.5 | Very low | 37.5 | Very low | 221 Ų | 221 | 130.2 Ų | 130.2 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | trans | -149.1 | 114.4 | 159.2 | -91.5 | -74.5 | 0 | 0 | 0 | 111.3 | ||||
| 396 | P | 32.2 | Very low | 36.5 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -97.9 | 128.6 | 171.3 | 34.4 | -28.1 | 0 | 0 | 0 | 111.3 | ||||
| 397 | D | 31.4 | Very low | 35.5 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | trans | -118.4 | 121 | 176.9 | -158.3 | 11.7 | 0 | 0 | 0 | 110.4 | ||||
| 398 | P | 28.8 | Very low | 35.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | trans | -100.5 | 165.8 | -171.8 | 37.5 | -35.1 | 0 | 0 | 0 | 114.9 | ||||
| 399 | S | 28.7 | Very low | 35 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 85 | 162.6 | 165.6 | 83.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 400 | T | 35.4 | Very low | 34.6 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 88.7 | 58.6 | 173.8 | -39.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 401 | F | 30.1 | Very low | 34.6 | Very low | 209 Ų | 209 | 146.9 Ų | 146.9 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | 38.8 | 140.9 | 126 | -82.1 | -93.2 | 0 | 0 | 0 | 124 | |||||
| 402 | M | 40.2 | Very low | 34.4 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | trans | -94 | -173.8 | 171.2 | -48.2 | -177.4 | 81 | 0 | 0 | 112.6 | ||||
| 403 | P | 36.9 | Very low | 34 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | -146 | 128.3 | 128.5 | 35 | -18.6 | 0 | 0 | 0 | 117.9 | |||||
| 404 | N | 31.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 29.8 | 134.4 | 137.8 | -59.1 | 14.4 | 0 | 0 | 0 | 123.8 | ||||
| 405 | R | 34.3 | Very low | 33 | Very low | 235 Ų | 235 | 139.7 Ų | 139.7 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | -165 | 107.8 | 110.9 | -95.6 | 177.5 | 178.9 | -165.2 | -2.1 | 108.1 | |||||
| 406 | S | 35.5 | Very low | 32.9 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | 64 | 130.3 | 72.8 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 407 | D | 33.4 | Very low | 32.7 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | cis | -173.4 | 178 | -8.5 | -87.4 | -36.3 | 0 | 0 | 0 | 105.8 | ||||
| 408 | P | 38 | Very low | 32.9 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | cis | -105.7 | -134 | -23.6 | 14.8 | 11.1 | 0 | 0 | 0 | 107 | ||||
| 409 | D | 39.3 | Very low | 33 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | cis | -143.7 | 119.3 | -5.4 | -70.9 | -82 | 0 | 0 | 0 | 106 | ||||
| 410 | F | 35 | Very low | 33 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 59% | 0.592 | 74% | 0.735 | S | S | * | * | cis | 82.1 | 75 | -2.5 | -143.1 | -85 | 0 | 0 | 0 | 118.1 | D412 H413 | F410-D412 HydrophobicContact CD1-CB 4.04Å; F410-D412 HydrophobicContact CE1-CB 3.81Å; F410-D412 WeakPolarHBondContact CE1-OD1 3.45Å; F410-H413 AromaticContact CE2-NE2 3.97Å; F410-H413 AromaticContact CZ-CD2 3.38Å; F410-H413 WeakPolarHBondContact CZ-CD2 3.42Å; F410-H413 AromaticContact CZ-NE2 3.51Å | ||
| 411 | V | 38.6 | Very low | 32.7 | Very low | 144 Ų | 144 | 143 Ų | 143 | 87% | 0.873 | 74% | 0.735 | S | S | * | * | -115.3 | 96.4 | 128.8 | 177.3 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 412 | D | 29.2 | Very low | 32.6 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 54% | 0.54 | 73% | 0.726 | S | S | . | * | 68.7 | 91.6 | 76.8 | -163.8 | 69.3 | 0 | 0 | 0 | 109.2 | F410 | F410-D412 HydrophobicContact CD1-CB 4.04Å; F410-D412 HydrophobicContact CE1-CB 3.81Å; F410-D412 WeakPolarHBondContact CE1-OD1 3.45Å | |||
| 413 | H | 30.7 | Very low | 32.1 | Very low | 141 Ų | 141 | 139 Ų | 139 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | 69.7 | -164.7 | 104.6 | -71.9 | -74.5 | 0 | 0 | 0 | 111.4 | F410 | F410-H413 AromaticContact CE2-NE2 3.97Å; F410-H413 AromaticContact CZ-CD2 3.38Å; F410-H413 WeakPolarHBondContact CZ-CD2 3.42Å; F410-H413 AromaticContact CZ-NE2 3.51Å | |||
| 414 | G | 26.6 | Very low | 31.5 | Very low | 55 Ų | 55 | 140.4 Ų | 140.4 | 57% | 0.567 | 71% | 0.713 | S | S | * | * | trans | 69.6 | 90.9 | -143.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 415 | D | 26.4 | Very low | 31.2 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | 57.9 | 154.8 | 66.8 | -48.5 | -59.9 | 0 | 0 | 0 | 110.1 | |||||
| 416 | V | 28 | Very low | 30.9 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.715 | 70% | 0.704 | S | S | * | * | -161.7 | 118.3 | 61.4 | 160.4 | 0 | 0 | 0 | 0 | 108 | |||||
| 417 | D | 29.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | 63.4 | 162.3 | 147.1 | -66.7 | -21.1 | 0 | 0 | 0 | 120.8 | ||||
| 418 | M | 35.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | cis | -131.9 | 128 | -7.3 | -136.7 | 170.9 | -81.1 | 0 | 0 | 111.7 | ||||
| 419 | R | 30.5 | Very low | 29.8 | Very low | 211 Ų | 211 | 137.3 Ų | 137.3 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | -57.6 | 154.5 | 150.4 | -106.8 | 172.7 | 167.7 | 175.2 | -2.5 | 109.3 | ||||
| 420 | Q | 28.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 68% | 0.682 | 71% | 0.708 | S | S | * | * | trans | 60.5 | 100.9 | 153.7 | -57.1 | 154 | 10.2 | 0 | 0 | 117.9 | ||||
| 421 | Q | 28.5 | Very low | 29 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | -167 | 138 | 112.9 | -101 | 149.3 | 75 | 0 | 0 | 108.9 | |||||
| 422 | Q | 28.4 | Very low | 28.4 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | 47.3 | 129.4 | 93.7 | -54 | 179.6 | 4.2 | 0 | 0 | 113.1 | |||||
| 423 | Q | 29.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | cis | -168.9 | 179.7 | -0.5 | -116.8 | 167.9 | 24.6 | 0 | 0 | 107.3 | ||||
| 424 | Q | 25 | Very low | 28.5 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | 67.8 | 108.9 | 162.4 | -63.4 | 151.3 | 53.3 | 0 | 0 | 118.3 | ||||
| 425 | Q | 24.5 | Very low | 28.4 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | 33 | 154.3 | 110.2 | -65.4 | 175.1 | -43.2 | 0 | 0 | 120.7 | |||||
| 426 | P | 29.5 | Very low | 28.6 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -143.4 | 179.4 | -38.7 | 37.8 | -18.3 | 0 | 0 | 0 | 114.6 | ||||
| 427 | S | 23.5 | Very low | 28.5 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | 56.6 | 121.4 | 143.3 | 62.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 428 | I | 27 | Very low | 28.3 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | 67.8 | 137.2 | 125.6 | -56.2 | 167.7 | 0 | 0 | 0 | 119.5 | |||||
| 429 | P | 32.5 | Very low | 27.8 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | cis | -121.6 | -106.9 | -37.6 | 29.2 | -4 | 0 | 0 | 0 | 115.4 | ||||
| 430 | P | 34.2 | Very low | 27.5 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | -124.2 | -166.6 | -122.5 | 36 | -12.4 | 0 | 0 | 0 | 116.4 | |||||
| 431 | I | 24 | Very low | 27.5 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 98.7 | 137 | 157.5 | -61.5 | 164.8 | 0 | 0 | 0 | 119.1 | ||||
| 432 | L | 25.1 | Very low | 27.8 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 84.3 | 157.6 | 157.5 | -89.8 | 166.6 | 0 | 0 | 0 | 124 | ||||
| 433 | Q | 28.9 | Very low | 27.6 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -95.6 | -171.2 | -176.8 | -73.3 | 177.5 | -20 | 0 | 0 | 111.2 | ||||
| 434 | P | 32.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -135.6 | -164.8 | -41 | 34.4 | -14.8 | 0 | 0 | 0 | 113.4 | ||||
| 435 | Q | 24.3 | Very low | 27.5 | Very low | 183 Ų | 183 | 129 Ų | 129 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 85.4 | 151.9 | 148.5 | -86.6 | -163.4 | -13.7 | 0 | 0 | 121.4 | ||||
| 436 | P | 31.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -102.5 | 168.9 | -178.7 | 41.2 | -35.2 | 0 | 0 | 0 | 113.7 | ||||
| 437 | S | 25.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 125 Ų | 125 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -157.2 | 156.5 | 160.2 | -83.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 438 | V | 25.8 | Very low | 28 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -114.6 | 137.2 | -171.3 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 439 | S | 24.1 | Very low | 28.1 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -160.6 | 131.7 | 152.1 | -81 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 440 | V | 25.6 | Very low | 28 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | 81 | 128.6 | 50.9 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 441 | A | 27.2 | Very low | 27.9 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | cis | -158.4 | -141.6 | -18.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 442 | P | 34.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | trans | -122.4 | 178.1 | -142.2 | 32.3 | -7.8 | 0 | 0 | 0 | 116.4 | ||||
| 443 | S | 25.9 | Very low | 28.2 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -169.8 | 160 | 165.1 | -80.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 444 | N | 24.9 | Very low | 28.2 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | -179.6 | 107.6 | -40.2 | -109.9 | -27 | 0 | 0 | 0 | 109.6 | ||||
| 445 | L | 27.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | trans | 55.8 | -175.2 | 160.4 | -70.6 | 124 | 0 | 0 | 0 | 117.4 | ||||
| 446 | P | 32.3 | Very low | 28.5 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -104.5 | 164.3 | -22.9 | 6.9 | 17.9 | 0 | 0 | 0 | 111.8 | ||||
| 447 | A | 26 | Very low | 28.5 | Very low | 84 Ų | 84 | 123 Ų | 123 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | cis | 94.6 | 158.5 | 42.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 448 | A | 29.8 | Very low | 28.7 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 69.2 | 148.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 449 | D | 28.5 | Very low | 28.9 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | cis | 173.7 | 161.7 | -14 | -87.9 | -25.2 | 0 | 0 | 0 | 102.8 | ||||
| 450 | D | 29.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | cis | -163 | 177.8 | 11 | -152.2 | -21 | 0 | 0 | 0 | 111 | ||||
| 451 | K | 31.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 122.1 Ų | 122.1 | 68% | 0.683 | 72% | 0.719 | S | S | * | * | trans | 70 | 105.7 | 140.9 | -89.2 | 155.1 | -168.7 | 133.5 | 0 | 122.3 | ||||
| 452 | L | 30.1 | Very low | 29.3 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | 126.8 | 141 | 120.2 | -70.2 | 151.7 | 0 | 0 | 0 | 114 | |||||
| 453 | S | 26.4 | Very low | 29.1 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 72% | 0.72 | S | S | * | * | cis | -178.1 | 180 | -27.1 | 50.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 454 | L | 29.1 | Very low | 29.1 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | trans | 75.9 | 151.6 | -174.8 | -79.4 | 68.4 | 0 | 0 | 0 | 113.8 | ||||
| 455 | V | 32.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | cis | -172.3 | 149.8 | -27.6 | 107.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 456 | T | 32 | Very low | 29.2 | Very low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | cis | -171.5 | 153.6 | -25.8 | 29 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 457 | H | 30.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | cis | -173.6 | -161.9 | -10.3 | 174.4 | -118 | 0 | 0 | 0 | 106.1 | ||||
| 458 | V | 30.7 | Very low | 28.7 | Very low | 123 Ų | 123 | 125 Ų | 125 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | trans | 74 | 87.8 | 170.6 | -164 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 459 | Q | 28.5 | Very low | 28.6 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 60% | 0.603 | 72% | 0.715 | S | S | * | * | cis | 84.2 | 101.4 | 23.1 | -163 | 73.6 | 7 | 0 | 0 | 116.1 | ||||
| 460 | T | 28.8 | Very low | 28.4 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | 175.7 | 137.3 | 149.4 | 43 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 461 | T | 29.4 | Very low | 28.4 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | cis | -169 | 126.8 | -8.7 | 27.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | F | 27.4 | Very low | 28.1 | Very low | 173 Ų | 173 | 123 Ų | 123 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 52.2 | 176.7 | 141.3 | -54.4 | -56.3 | 0 | 0 | 0 | 122.9 | ||||
| 463 | P | 31.6 | Very low | 28 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | -118.5 | 169.9 | -52.3 | 32.4 | -16.3 | 0 | 0 | 0 | 111.4 | |||||
| 464 | S | 25.7 | Very low | 28 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | cis | 85.7 | 146 | 30.1 | -47.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 465 | T | 26.7 | Very low | 28 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 70.8 | 150.6 | -178.8 | 70.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 466 | D | 26.9 | Very low | 27.7 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | cis | -167.8 | -179.8 | -4.9 | -117.8 | 34.6 | 0 | 0 | 0 | 108.2 | ||||
| 467 | S | 23.9 | Very low | 27.4 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | cis | -174.3 | 162.9 | -43 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 468 | T | 24.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | 73.6 | 161 | 151.1 | -32.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 469 | I | 26.5 | Very low | 26.9 | Very low | 152 Ų | 152 | 118.5 Ų | 118.5 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | 72.8 | 98.2 | 168.7 | -46.4 | 173.7 | 0 | 0 | 0 | 114.9 | ||||
| 470 | A | 25.8 | Very low | 26.6 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | cis | 86 | 110.8 | 33.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 471 | S | 29.6 | Very low | 26.4 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -174.5 | 109.6 | 139.8 | -169.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 472 | S | 25.5 | Very low | 26.1 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | cis | 81.7 | 113.5 | 49.3 | -59 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 473 | G | 27.6 | Very low | 25.9 | Very low | 80 Ų | 80 | 116.9 Ų | 116.9 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | 79.9 | 165 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 474 | S | 25.9 | Very low | 25.5 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | cis | -161.8 | 176.4 | -8.1 | -162.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 475 | I | 28.5 | Very low | 25.5 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | 79.6 | 99.8 | 173.5 | -54.2 | 161.6 | 0 | 0 | 0 | 111.8 | ||||
| 476 | I | 26.3 | Very low | 25.3 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | 72 | 151.9 | 50.2 | -48.8 | 159.5 | 0 | 0 | 0 | 110.8 | |||||
| 477 | L | 26.6 | Very low | 25.2 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 82.1 | 130.6 | 179.6 | -52.2 | 179.5 | 0 | 0 | 0 | 115.1 | ||||
| 478 | T | 26.3 | Very low | 25.2 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | cis | -170 | 162 | -27.1 | 5.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 479 | S | 23.6 | Very low | 25.1 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | 24.3 | 116.8 | 146.1 | 68.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 480 | S | 22.9 | Very low | 25.2 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | 88.5 | 141.3 | 69.1 | -172.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 481 | S | 23 | Very low | 25 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | trans | 74.1 | 130 | 154.5 | 80.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 482 | K | 23 | Very low | 24.7 | Very low | 196 Ų | 196 | 124 Ų | 124 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | 67 | 158.1 | 150.3 | -60 | 159.9 | -176.9 | 178.1 | 0 | 115.6 | ||||
| 483 | T | 24.2 | Very low | 24.6 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | cis | -117.4 | 150.5 | -2.1 | 20.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 484 | Q | 22.8 | Very low | 24.8 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | 63.4 | 150.4 | 64 | -165.9 | -172.8 | -31 | 0 | 0 | 112.4 | |||||
| 485 | E | 24.9 | Very low | 24.9 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | 86.1 | 138.1 | -179.1 | -59.8 | 179.8 | -166.8 | 0 | 0 | 115.6 | ||||
| 486 | E | 23.8 | Very low | 24.7 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | cis | -163.4 | -169.2 | -28.7 | -139.1 | 175.1 | 90.7 | 0 | 0 | 110.3 | ||||
| 487 | L | 24.6 | Very low | 24.7 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 62% | 0.623 | 72% | 0.715 | S | S | * | * | trans | 43.8 | 113.9 | 150.5 | -63.6 | 160.3 | 0 | 0 | 0 | 118.4 | ||||
| 488 | Q | 23.1 | Very low | 24.8 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | 54.9 | 129.6 | 77.8 | -66.3 | 173.6 | -118 | 0 | 0 | 115.2 | |||||
| 489 | I | 23.5 | Very low | 24.8 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | trans | 73 | 136.6 | 151 | -64.8 | 161.1 | 0 | 0 | 0 | 115.5 | ||||
| 490 | P | 26.9 | Very low | 25 | Very low | 117 Ų | 117 | 123 Ų | 123 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | cis | -139.7 | -146.7 | -24.2 | 41.7 | -21.1 | 0 | 0 | 0 | 111.9 | ||||
| 491 | A | 22.3 | Very low | 25.2 | Very low | 85 Ų | 85 | 123.9 Ų | 123.9 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | trans | -68.8 | 167.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 492 | S | 23.1 | Very low | 25.3 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 87.2 | 154.1 | 141.5 | -167.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 493 | T | 24.8 | Very low | 25.5 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | 88 | 92.8 | 158.7 | -26.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 494 | V | 30.5 | Very low | 25.7 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | 65.7 | 126.9 | 52.3 | -169.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 495 | P | 29.3 | Very low | 25.7 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 69% | 0.688 | 71% | 0.711 | S | S | * | * | -151.4 | 144.1 | 90.6 | 37.3 | -17.3 | 0 | 0 | 0 | 118.9 | |||||
| 496 | I | 24 | Very low | 25.9 | Very low | 162 Ų | 162 | 116 Ų | 116 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | trans | 73.6 | 135.8 | 137.8 | -68.6 | 168.7 | 0 | 0 | 0 | 116.3 | ||||
| 497 | A | 26.1 | Very low | 26 | Very low | 78 Ų | 78 | 117.1 Ų | 117.1 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | cis | -140.1 | 164 | 20.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 498 | S | 28.9 | Very low | 26 | Very low | 96 Ų | 96 | 118.5 Ų | 118.5 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | 47.3 | 107.3 | 147.6 | 54 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 499 | S | 25.5 | Very low | 26.1 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | 73.6 | 137.5 | 67.5 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 500 | T | 28.4 | Very low | 26.2 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | cis | -152.9 | 147.7 | 32.8 | 46.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 501 | T | 25.5 | Very low | 26 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | 25.3 | 133.2 | 143.4 | 58.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 502 | S | 26.2 | Very low | 25.9 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | cis | -149.7 | -153.6 | 7.4 | -81 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 503 | T | 27.9 | Very low | 25.9 | Very low | 111 Ų | 111 | 120 Ų | 120 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | cis | -158.9 | 121.7 | 15.2 | -47.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 504 | S | 27 | Very low | 25.8 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | 58 | 125.4 | 83.1 | 169.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 505 | C | 24.6 | Very low | 25.5 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 63% | 0.628 | 72% | 0.722 | S | S | * | * | cis | -166 | 167.3 | -9.5 | -98.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 506 | Q | 27.4 | Very low | 25.3 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 62% | 0.621 | 73% | 0.731 | S | S | * | * | cis | -160.9 | 159.6 | -11.9 | -113.7 | 177.7 | -99.7 | 0 | 0 | 105.9 | ||||
| 507 | Q | 27.4 | Very low | 25.6 | Very low | 164 Ų | 164 | 120.1 Ų | 120.1 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | cis | 81.1 | 101.5 | 13.2 | -51.1 | 164.4 | -87.1 | 0 | 0 | 116.7 | ||||
| 508 | N | 23.9 | Very low | 25.5 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -165.8 | 161.3 | 154.6 | -103.1 | -20.8 | 0 | 0 | 0 | 113.9 | ||||
| 509 | H | 25.6 | Very low | 25.4 | Very low | 174 Ų | 174 | 122.9 Ų | 122.9 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | -84 | 175.5 | 172.9 | -66.9 | -80.5 | 0 | 0 | 0 | 111.3 | ||||
| 510 | P | 26 | Very low | 25.4 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | cis | -132.5 | -177.5 | 32.4 | 32.8 | -6.9 | 0 | 0 | 0 | 115 | ||||
| 511 | I | 21.6 | Very low | 25.6 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | 55.8 | 142.5 | 59.8 | -24.4 | 169.5 | 0 | 0 | 0 | 114.5 | |||||
| 512 | T | 21 | Very low | 25.8 | Very low | 119 Ų | 119 | 126 Ų | 126 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 68.7 | 126.3 | 177 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 513 | S | 22.3 | Very low | 26 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | 96.6 | 128.3 | 41.5 | 77.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 514 | S | 23.3 | Very low | 26 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | 58.6 | 126.8 | 160.8 | 61.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 515 | G | 24.8 | Very low | 26.1 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 146.4 | 111.9 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 516 | F | 23.5 | Very low | 26.3 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | 3.8 | 148 | 126.8 | -69.3 | -95.3 | 0 | 0 | 0 | 118.5 | |||||
| 517 | T | 30 | Very low | 26.5 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | cis | -178.5 | -176.6 | -7.7 | 21 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 518 | L | 25.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 71.6 | 127.2 | 177.2 | -113.4 | 54.8 | 0 | 0 | 0 | 112 | ||||
| 519 | A | 25.9 | Very low | 27.2 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | cis | 73.3 | 154.3 | 44 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 520 | E | 25.7 | Very low | 27.5 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | 71.3 | 66.8 | -176.8 | -55.2 | -178.8 | 124.7 | 0 | 0 | 116.9 | ||||
| 521 | A | 33.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | 175.7 | 69.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 522 | E | 29.5 | Very low | 28.3 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | 64.7 | 142.4 | 30.4 | -156.6 | 171.3 | -163.4 | 0 | 0 | 114.2 | ||||
| 523 | A | 29.7 | Very low | 28.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | 67.8 | 61.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 524 | A | 28.4 | Very low | 29.2 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -138.8 | 44.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 525 | L | 28.8 | Very low | 29.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 56.6 | 95 | 162 | -51.1 | 173.4 | 0 | 0 | 0 | 116.2 | ||||
| 526 | R | 29.3 | Very low | 29.8 | Very low | 203 Ų | 203 | 142 Ų | 142 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | 73.2 | 151.9 | 64.5 | -76.7 | -155.8 | 175.3 | -159.8 | -2 | 115.9 | |||||
| 527 | F | 30.6 | Very low | 30 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 75% | 0.75 | 76% | 0.763 | S | S | * | * | trans | 87.4 | 117.2 | 178.4 | -56.6 | -71.6 | 0 | 0 | 0 | 115.6 | ||||
| 528 | D | 33.8 | Very low | 30 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 55% | 0.545 | 76% | 0.758 | S | S | . | * | cis | -172.2 | 169.4 | -39 | -97.4 | 0.7 | 0 | 0 | 0 | 107.1 | ||||
| 529 | D | 32.7 | Very low | 30.1 | Very low | 134 Ų | 134 | 138 Ų | 138 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 63.5 | 156.3 | 161.7 | -47.1 | -20.9 | 0 | 0 | 0 | 119 | ||||
| 530 | D | 32.1 | Very low | 30.3 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -176.7 | 169.1 | -29.7 | -94.3 | -8.3 | 0 | 0 | 0 | 105.9 | ||||
| 531 | D | 32.6 | Very low | 30.3 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | -161.6 | -176.2 | -45.6 | -144.4 | -8.3 | 0 | 0 | 0 | 106.7 | ||||
| 532 | D | 31.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | trans | 68.5 | 169.8 | 150.5 | -74.6 | -23.7 | 0 | 0 | 0 | 124.8 | ||||
| 533 | D | 31.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | 73.2 | 68.2 | 167.7 | -65 | -18.3 | 0 | 0 | 0 | 121 | ||||
| 534 | D | 30.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | 3.5 | 165.7 | 111.3 | -88.6 | -47.1 | 0 | 0 | 0 | 122.2 | |||||
| 535 | E | 29.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | 51.9 | 102.8 | 161.1 | -67.4 | -173.7 | 177.7 | 0 | 0 | 119.6 | ||||
| 536 | D | 31.4 | Very low | 30.5 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | -162.5 | 143.1 | 89.8 | -131 | -17.1 | 0 | 0 | 0 | 113.4 | |||||
| 537 | D | 28.1 | Very low | 30.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -108.4 | -173.4 | 178.4 | -149.8 | -23.8 | 0 | 0 | 0 | 109.8 | ||||
| 538 | E | 30.8 | Very low | 30.6 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | trans | 70.9 | 111.2 | 179.5 | -61.1 | -86.4 | 137.9 | 0 | 0 | 114.7 | ||||
| 539 | D | 27.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | 49.4 | 136.3 | 70.1 | -112.2 | -29.3 | 0 | 0 | 0 | 112.8 | Q541 | D539-Q541 HydrophobicContact CB-CG 3.87Å; D539-Q541 WeakPolarHBondContact OD1-CG 3.11Å; D539-Q541 PolarHBondContact OD1-N 2.91Å; D539-Q541 WeakPolarHBondContact OD2-CG 3.21Å; D539-Q541 PolarHBondContact OD2-NE2 3.1Å | |||
| 540 | I | 28.6 | Very low | 30.5 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | -145.1 | 97.1 | 90.8 | -93.5 | 154.5 | 0 | 0 | 0 | 111.5 | |||||
| 541 | Q | 26.5 | Very low | 30.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 46% | 0.463 | 68% | 0.681 | S | S | . | * | 49 | 115.3 | 109 | -60.2 | -175.6 | 14.3 | 0 | 0 | 118.9 | D539 | D539-Q541 HydrophobicContact CB-CG 3.87Å; D539-Q541 WeakPolarHBondContact OD1-CG 3.11Å; D539-Q541 PolarHBondContact OD1-N 2.91Å; D539-Q541 WeakPolarHBondContact OD2-CG 3.21Å; D539-Q541 PolarHBondContact OD2-NE2 3.1Å | |||
| 542 | I | 32.1 | Very low | 30.5 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | 39.9 | 116.5 | 102.2 | -55.6 | 159.1 | 0 | 0 | 0 | 114.1 | |||||
| 543 | P | 26.9 | Very low | 30.4 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | -152.2 | 125.7 | 91.9 | 29.1 | -6.5 | 0 | 0 | 0 | 119 | K686 | P543-K686 PolarHBondContact O-NZ 3.34Š| |||
| 544 | R | 28.7 | Very low | 30.4 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 77% | 0.774 | 68% | 0.684 | S | S | * | * | trans | -17.9 | 159.8 | 145.3 | -69 | 177.6 | 158.9 | 105.3 | 4.6 | 119.3 | ||||
| 545 | S | 31.3 | Very low | 30.4 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | 93 | 114.6 | 137.7 | -76.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 546 | S | 34.4 | Very low | 30.7 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | 82.1 | 122.5 | 122.6 | -60.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 547 | R | 30.2 | Very low | 31.1 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | 161.6 | 116.1 | 113.3 | -84 | 174.4 | -160.1 | -148.7 | 4.1 | 116.4 | |||||
| 548 | R | 31.5 | Very low | 31.6 | Very low | 225 Ų | 225 | 131.4 Ų | 131.4 | 85% | 0.849 | 66% | 0.663 | S | S | * | * | trans | 44 | 135 | 131.6 | -94.6 | -174.9 | -179.6 | -159.4 | -0 | 125.1 | ||||
| 549 | L | 32.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 57% | 0.571 | 67% | 0.669 | S | S | * | * | trans | 85.8 | 147.3 | 146 | -56.9 | 154.2 | 0 | 0 | 0 | 122.1 | K690 | L549-K690 WeakPolarHBondContact O-CE 3.09Š| ||
| 550 | R | 33.2 | Very low | 31.9 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 33% | 0.328 | 68% | 0.681 | S | S | . | * | cis | 172 | 129 | -18.3 | -167.8 | -175.1 | -165.7 | -134.4 | 12.9 | 114.8 | E692 G701 D702 | R550-E692 VanDerWaalsContact C-OE2 3.24Å; R550-E692 WeakPolarHBondContact CA-OE1 3.47Å; R550-E692 PolarHBondContact N-OE1 2.58Å; R550-G701 PolarHBondContact NH2-O 3.27Å; R550-D702 IonicContact CZ-OD1 3.76Å; R550-D702 IonicContact CZ-OD2 3.84Å; R550-D702 VanDerWaalsContact NH1-CG 3.27Å; R550-D702 IonicContact NH1-OD1 2.67Å; R550-D702 PolarHBondContact NH1-OD1 2.84Å; R550-D702 IonicContact NH1-OD2 2.78Å; R550-D702 PolarHBondContact NH1-OD2 2.88Å; R550-D702 VanDerWaalsContact NH1-OD2 3.16Å; R550-D702 IonicContact NH2-OD1 2.72Å; R550-D702 IonicContact NH2-OD2 2.66Å; R550-D702 PolarHBondContact NH2-OD2 2.96Å | ||
| 551 | K | 33.6 | Very low | 31.8 | Very low | 81 Ų | 81 | 131.1 Ų | 131.1 | 35% | 0.352 | 69% | 0.686 | S | S | . | * | trans | 73.4 | 140 | 163.1 | -87 | 169.1 | -178.5 | 169.9 | 0 | 118.6 | E692 S700 | K551-E692 WeakPolarHBondContact CA-OE2 3.34Å; K551-E692 PolarHBondContact N-OE1 3.29Å; K551-E692 PolarHBondContact N-OE2 2.83Å; K551-E692 VanDerWaalsContact O-OE2 3.09Å; K551-S700 PolarHBondContact NZ-OG 3.12Å | ||
| 552 | K | 30.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | cis | 178.9 | 163.2 | 14.7 | 177.5 | -177 | 179.4 | -169.9 | 0 | 114.8 | ||||
| 553 | A | 29.1 | Very low | 31.9 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 72% | 0.719 | 70% | 0.702 | S | S | * | * | trans | 94.9 | 151.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 554 | R | 31.4 | Very low | 31.8 | Very low | 229 Ų | 229 | 128 Ų | 128 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | cis | -170.7 | 162 | -22.9 | -170.5 | -167.1 | -178.6 | 175.6 | 1.1 | 110.5 | ||||
| 555 | I | 31.4 | Very low | 31.5 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | 84.2 | 141.5 | 164.3 | -49.9 | -179.6 | 0 | 0 | 0 | 116.1 | ||||
| 556 | S | 36.2 | Very low | 31.5 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | cis | -172.7 | 153.1 | -33 | -85.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 557 | S | 38.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | 59 | 152.1 | 155.2 | 47.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 558 | S | 39.8 | Very low | 31 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | cis | -170.9 | 173.6 | -19.7 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 559 | T | 33.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 121 Ų | 121 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | trans | 59.2 | 102.8 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 560 | T | 31.1 | Very low | 30.5 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | 60.3 | 108.8 | 59.1 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 561 | S | 26.7 | Very low | 30 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | S | Bend | cis | -145.4 | 158.3 | -0.4 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 562 | S | 35.4 | Very low | 29.6 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -146.9 | 140.3 | 5.1 | 43 | 0 | 0 | 0 | 0 | 109.8 | ||
| 563 | G | 25.5 | Very low | 29.3 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | 75.8 | -151.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 564 | A | 23.4 | Very low | 29 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | trans | 70.6 | 140.5 | -179 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 565 | K | 23.4 | Very low | 28.9 | Very low | 186 Ų | 186 | 117.7 Ų | 117.7 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | trans | 70.7 | 140.8 | 165.5 | -62.2 | -175.6 | 163.2 | -165.7 | 0 | 116.9 | ||||
| 566 | H | 30.3 | Very low | 28.6 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | cis | -155.3 | 145.8 | -6 | -116.5 | -58.3 | 0 | 0 | 0 | 111.5 | ||||
| 567 | T | 26.9 | Very low | 28.1 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 2.8 | 152.5 | 138.4 | 53.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 568 | S | 27.3 | Very low | 27.5 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | cis | -177.1 | -177.9 | -3.4 | 50.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 569 | K | 25.8 | Very low | 26.8 | Very low | 167 Ų | 167 | 118.1 Ų | 118.1 | 73% | 0.726 | 72% | 0.724 | S | S | * | * | cis | -140.1 | -162.1 | 5.8 | -138 | -154.9 | 175.6 | -159.7 | 0 | 106.4 | N571 | K569-N571 VanDerWaalsContact CE-OD1 3.28Å; K569-N571 WeakPolarHBondContact CE-OD1 3.18Å; K569-N571 PolarHBondContact NZ-OD1 2.87Å | ||
| 570 | V | 28.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | S | Bend | cis | -126.5 | 131.4 | 13.9 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 571 | N | 22.4 | Very low | 26.6 | Very low | 122 Ų | 122 | 116.8 Ų | 116.8 | 65% | 0.652 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 36.5 | 132.8 | 164.6 | -51.7 | 5.7 | 0 | 0 | 0 | 119 | K569 | K569-N571 VanDerWaalsContact CE-OD1 3.28Å; K569-N571 WeakPolarHBondContact CE-OD1 3.18Å; K569-N571 PolarHBondContact NZ-OD1 2.87Å |
| 572 | S | 24.3 | Very low | 27.4 | Very low | 128 Ų | 128 | 115.1 Ų | 115.1 | 90% | 0.895 | 69% | 0.685 | S | S | * | * | cis | -135.2 | -151 | 2.1 | 42.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 573 | S | 23.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | trans | -113.5 | 162.3 | -157 | 59.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 574 | D | 24.2 | Very low | 29.6 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | trans | 61.5 | 175.8 | 164.8 | -71.8 | -86.4 | 0 | 0 | 0 | 115.2 | ||||
| 575 | S | 29.6 | Very low | 31.6 | Very low | 100 Ų | 100 | 115.1 Ų | 115.1 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | cis | -118.9 | -125.3 | 6.7 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 576 | K | 23.4 | Very low | 33.8 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | trans | -130.9 | 167.3 | -163.7 | -69.7 | 173.7 | -173 | 156.4 | 0 | 114.1 | Q578 S1835 | K576-Q578 HydrophobicContact CB-CG 4.15Å; K576-Q578 WeakPolarHBondContact O-CG 3.24Å; K576-Q578 PolarHBondContact O-N 3.34Å; K576-Q578 PolarHBondContact O-OE1 3.5Å; K576-S1835 WeakPolarHBondContact CE-O 3.49Å; K576-S1835 PolarHBondContact NZ-O 3Å | ||
| 577 | G | 26.3 | Very low | 35.6 | Very low | 90 Ų | 90 | 108 Ų | 108 | 93% | 0.928 | 62% | 0.62 | S | S | * | * | trans | -62.2 | 106.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 578 | Q | 25.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | trans | -119.7 | 130.7 | -168.2 | -82.9 | 163.4 | -105.6 | 0 | 0 | 110.7 | K576 F580 V581 | K576-Q578 HydrophobicContact CB-CG 4.15Å; K576-Q578 WeakPolarHBondContact O-CG 3.24Å; K576-Q578 PolarHBondContact O-N 3.34Å; K576-Q578 PolarHBondContact O-OE1 3.5Å; Q578-F580 VanDerWaalsContact C-N 3.34Å; Q578-F580 PolarHBondContact O-N 3.01Å; Q578-V581 HydrophobicContact CB-CG2 4.02Å | ||
| 579 | T | 25.1 | Very low | 39.7 | Very low | 130 Ų | 130 | 97.8 Ų | 97.8 | 80% | 0.798 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -62.2 | 83.7 | 178.4 | 45.5 | 0 | 0 | 0 | 0 | 110.9 | V581 | T579-V581 VanDerWaalsContact C-N 3.3Å; T579-V581 WeakPolarHBondContact O-CG2 3.48Å; T579-V581 PolarHBondContact O-N 2.94Å |
| 580 | F | 26.4 | Very low | 41.9 | Very low | 135 Ų | 135 | 94.2 Ų | 94.2 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 14.2 | 71.8 | -174.7 | -94.4 | -83.3 | 0 | 0 | 0 | 113.6 | Q578 | Q578-F580 VanDerWaalsContact C-N 3.34Å; Q578-F580 PolarHBondContact O-N 3.01Å |
| 581 | V | 34.9 | Very low | 43.7 | Very low | 88 Ų | 88 | 91.6 Ų | 91.6 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 135.8 | -175.7 | -174 | 0 | 0 | 0 | 0 | 108.1 | Q578 T579 | Q578-V581 HydrophobicContact CB-CG2 4.02Å; T579-V581 VanDerWaalsContact C-N 3.3Å; T579-V581 WeakPolarHBondContact O-CG2 3.48Å; T579-V581 PolarHBondContact O-N 2.94Å |
| 582 | I | 42.2 | Very low | 46 | Very low | 83 Ų | 83 | 86 Ų | 86 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 127.5 | 172.3 | -57.7 | 167.5 | 0 | 0 | 0 | 108 | T648 | I582-T648 HydrophobicContact CG2-CG2 3.96Š|
| 583 | P | 50.7 | Low | 48.5 | Very low | 35 Ų | 35 | 81.9 Ų | 81.9 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -61 | 142.6 | -173.9 | 19.1 | -28 | 0 | 0 | 0 | 111.8 | L587 I588 I663 | P583-L587 HydrophobicContact CB-CD2 4.06Å; P583-I588 HydrophobicContact CB-CD1 4.43Å; P583-I588 HydrophobicContact CB-CG1 4.22Å; P583-I588 HydrophobicContact CG-CD1 4.12Å; P583-I588 HydrophobicContact CG-CG1 4.18Å; P583-I663 HydrophobicContact CG-CD1 3.56Å |
| 584 | E | 58.1 | Low | 50.7 | Low | 156 Ų | 156 | 81.6 Ų | 81.6 | 73% | 0.729 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 143.6 | -179.7 | -78 | 177.4 | 130.3 | 0 | 0 | 111.4 | D586 L587 I588 | E584-D586 PolarHBondContact O-N 3.34Å; E584-D586 VanDerWaalsContact O-N 3.1Å; E584-L587 WeakPolarHBondContact O-CA 3.46Å; E584-L587 WeakPolarHBondContact O-CB 3.37Å; E584-L587 PolarHBondContact O-N 3.4Å; E584-I588 PolarHBondContact O-N 3.11Å; E584-I588 VanDerWaalsContact O-N 3.11Å |
| 585 | I | 65.7 | Low | 52.6 | Low | 58 Ų | 58 | 77.6 Ų | 77.6 | 30% | 0.297 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -50.5 | -38 | 176.8 | -68.5 | 156 | 0 | 0 | 0 | 111.1 | T589 R641 A644 V645 T648 | I585-T589 VanDerWaalsContact O-CB 3.28Å; I585-T589 WeakPolarHBondContact O-CB 3.27Å; I585-T589 PolarHBondContact O-N 2.97Å; I585-T589 PolarHBondContact O-OG1 2.62Å; I585-R641 HydrophobicContact CG2-CG 4.06Å; I585-A644 HydrophobicContact CG2-CB 3.98Å; I585-A644 WeakPolarHBondContact O-CB 3.48Å; I585-V645 HydrophobicContact CD1-CG2 4.01Å; I585-V645 HydrophobicContact CG1-CG2 4.29Å; I585-V645 HydrophobicContact CG2-CG2 3.83Å; I585-T648 HydrophobicContact CG1-CG2 4.33Å; I585-T648 WeakPolarHBondContact CG1-OG1 3.33Å |
| 586 | D | 67.9 | Low | 54.3 | Low | 80 Ų | 80 | 73.6 Ų | 73.6 | 43% | 0.428 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.7 | -30.8 | 177.7 | -77.2 | -66.3 | 0 | 0 | 0 | 113.7 | E584 T590 R641 | E584-D586 PolarHBondContact O-N 3.34Å; E584-D586 VanDerWaalsContact O-N 3.1Å; D586-T590 WeakPolarHBondContact O-CB 3.31Å; D586-T590 PolarHBondContact O-N 3.18Å; D586-T590 PolarHBondContact O-OG1 2.89Å; D586-R641 IonicContact OD1-CZ 3.49Å; D586-R641 IonicContact OD1-NH1 3.25Å; D586-R641 PolarHBondContact OD1-NH1 3.33Å; D586-R641 IonicContact OD1-NH2 3.38Å; D586-R641 PolarHBondContact OD1-NH2 2.92Å; D586-R641 IonicContact OD2-CZ 3.94Å; D586-R641 IonicContact OD2-NH1 3Å; D586-R641 IonicContact OD2-NH2 2.88Å; D586-R641 PolarHBondContact OD2-NH2 3.06Å |
| 587 | L | 68.4 | Low | 56.5 | Low | 96 Ų | 96 | 69.2 Ų | 69.2 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.7 | -48 | 173.4 | -173.8 | 68 | 0 | 0 | 0 | 110.4 | P583 E584 T589 T590 Q591 | P583-L587 HydrophobicContact CB-CD2 4.06Å; E584-L587 WeakPolarHBondContact O-CA 3.46Å; E584-L587 WeakPolarHBondContact O-CB 3.37Å; E584-L587 PolarHBondContact O-N 3.4Å; L587-T589 VanDerWaalsContact C-N 3.33Å; L587-T589 PolarHBondContact O-N 2.97Å; L587-T590 WeakPolarHBondContact O-CA 3.34Å; L587-T590 WeakPolarHBondContact O-CB 3.38Å; L587-T590 PolarHBondContact O-N 3.01Å; L587-T590 VanDerWaalsContact O-N 3.08Å; L587-Q591 PolarHBondContact O-N 2.87Å; L587-Q591 VanDerWaalsContact O-N 3.09Å |
| 588 | I | 67.3 | Low | 58.4 | Low | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.4 | -57.9 | 161.7 | 0 | 0 | 0 | 110 | P583 E584 T590 Q591 V592 A644 L647 T648 | P583-I588 HydrophobicContact CB-CD1 4.43Å; P583-I588 HydrophobicContact CB-CG1 4.22Å; P583-I588 HydrophobicContact CG-CD1 4.12Å; P583-I588 HydrophobicContact CG-CG1 4.18Å; E584-I588 PolarHBondContact O-N 3.11Å; E584-I588 VanDerWaalsContact O-N 3.11Å; I588-T590 PolarHBondContact O-N 3.22Å; I588-Q591 CarbonylContact O-C 3.48Å; I588-Q591 WeakPolarHBondContact O-CA 3.4Å; I588-Q591 PolarHBondContact O-N 3.33Å; I588-V592 HydrophobicContact CG2-CG2 4Å; I588-V592 WeakPolarHBondContact O-CB 3.4Å; I588-V592 VanDerWaalsContact O-CG2 3.29Å; I588-V592 WeakPolarHBondContact O-CG2 3.28Å; I588-V592 PolarHBondContact O-N 2.81Å; I588-A644 HydrophobicContact CB-CB 3.85Å; I588-A644 HydrophobicContact CG2-CB 3.72Å; I588-L647 HydrophobicContact CG2-CB 4.17Å; I588-L647 HydrophobicContact CG2-CD1 3.76Å; I588-T648 WeakPolarHBondContact CD1-OG1 3.33Å |
| 589 | T | 73.6 | Confident | 60.2 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -54.6 | -43.6 | 173.5 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | I585 L587 Q591 V592 V593 H637 A640 R641 A644 | I585-T589 VanDerWaalsContact O-CB 3.28Å; I585-T589 WeakPolarHBondContact O-CB 3.27Å; I585-T589 PolarHBondContact O-N 2.97Å; I585-T589 PolarHBondContact O-OG1 2.62Å; L587-T589 VanDerWaalsContact C-N 3.33Å; L587-T589 PolarHBondContact O-N 2.97Å; T589-Q591 VanDerWaalsContact C-N 3.27Å; T589-Q591 PolarHBondContact O-N 3.05Å; T589-V592 PolarHBondContact O-N 3.29Å; T589-V593 HydrophobicContact CG2-CG2 4.19Å; T589-V593 WeakPolarHBondContact O-CG2 3.32Å; T589-V593 PolarHBondContact O-N 3.35Å; T589-H637 WeakPolarHBondContact CG2-ND1 3.4Å; T589-A640 HydrophobicContact CG2-CB 3.91Å; T589-R641 HydrophobicContact CG2-CB 4.29Å; T589-R641 WeakPolarHBondContact OG1-CA 3.42Å; T589-A644 VanDerWaalsContact OG1-CB 3.3Å; T589-A644 WeakPolarHBondContact OG1-CB 3.47Å |
| 590 | T | 72.3 | Confident | 62 | Low | 91 Ų | 91 | 62.7 Ų | 62.7 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69 | -23.3 | 179.3 | -51.5 | 0 | 0 | 0 | 0 | 112.8 | D586 L587 I588 P594 | D586-T590 WeakPolarHBondContact O-CB 3.31Å; D586-T590 PolarHBondContact O-N 3.18Å; D586-T590 PolarHBondContact O-OG1 2.89Å; L587-T590 WeakPolarHBondContact O-CA 3.34Å; L587-T590 WeakPolarHBondContact O-CB 3.38Å; L587-T590 PolarHBondContact O-N 3.01Å; L587-T590 VanDerWaalsContact O-N 3.08Å; I588-T590 PolarHBondContact O-N 3.22Å; T590-P594 WeakPolarHBondContact O-CD 3.42Å; T590-P594 WeakPolarHBondContact O-CG 3.44Å |
| 591 | Q | 66.1 | Low | 63.7 | Low | 64 Ų | 64 | 58.6 Ų | 58.6 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -86.1 | -24.8 | 171.7 | -67.2 | 176.6 | -98.9 | 0 | 0 | 113.3 | L587 I588 T589 K595 E667 | L587-Q591 PolarHBondContact O-N 2.87Å; L587-Q591 VanDerWaalsContact O-N 3.09Å; I588-Q591 CarbonylContact O-C 3.48Å; I588-Q591 WeakPolarHBondContact O-CA 3.4Å; I588-Q591 PolarHBondContact O-N 3.33Å; T589-Q591 VanDerWaalsContact C-N 3.27Å; T589-Q591 PolarHBondContact O-N 3.05Å; Q591-K595 WeakPolarHBondContact O-CD 3.38Å; Q591-E667 PolarHBondContact NE2-OE1 3.06Å; Q591-E667 PolarHBondContact NE2-OE2 3.04Å |
| 592 | V | 71 | Confident | 65 | Low | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -89.7 | -34.2 | -179.2 | 173.8 | 0 | 0 | 0 | 0 | 112.8 | I588 T589 K595 L596 A640 L643 L647 L670 | I588-V592 HydrophobicContact CG2-CG2 4Å; I588-V592 WeakPolarHBondContact O-CB 3.4Å; I588-V592 VanDerWaalsContact O-CG2 3.29Å; I588-V592 WeakPolarHBondContact O-CG2 3.28Å; I588-V592 PolarHBondContact O-N 2.81Å; T589-V592 PolarHBondContact O-N 3.29Å; V592-K595 CarbonylContact O-C 3.59Å; V592-K595 WeakPolarHBondContact O-CA 3.38Å; V592-K595 PolarHBondContact O-N 2.96Å; V592-L596 HydrophobicContact CG1-CD1 3.92Å; V592-L596 HydrophobicContact CG1-CG 4.15Å; V592-L596 PolarHBondContact O-N 3.31Å; V592-A640 HydrophobicContact CB-CB 4.22Å; V592-A640 HydrophobicContact CG1-CB 3.92Å; V592-L643 HydrophobicContact CG1-CB 4.13Å; V592-L643 HydrophobicContact CG1-CD1 4.24Å; V592-L647 HydrophobicContact CG2-CD1 3.58Å; V592-L670 HydrophobicContact CG2-CD1 4.34Å |
| 593 | V | 77.3 | Confident | 65.9 | Low | 41 Ų | 41 | 57 Ų | 57 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -52.9 | -44.3 | 175.2 | 164.9 | 0 | 0 | 0 | 0 | 112.9 | T589 K595 H637 A640 | T589-V593 HydrophobicContact CG2-CG2 4.19Å; T589-V593 WeakPolarHBondContact O-CG2 3.32Å; T589-V593 PolarHBondContact O-N 3.35Å; V593-K595 PolarHBondContact O-N 3.17Å; V593-H637 HydrophobicContact CG2-CB 4.46Å; V593-A640 HydrophobicContact CB-CB 4.32Å; V593-A640 HydrophobicContact CG2-CB 3.34Å |
| 594 | P | 69.6 | Low | 66.3 | Low | 94 Ų | 94 | 58.1 Ų | 58.1 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -69.8 | -10.6 | 176.3 | -19.3 | 33.4 | 0 | 0 | 0 | 114.8 | T590 | T590-P594 WeakPolarHBondContact O-CD 3.42Å; T590-P594 WeakPolarHBondContact O-CG 3.44Å |
| 595 | K | 62.5 | Low | 66.5 | Low | 38 Ų | 38 | 54 Ų | 54 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -109.4 | -4.9 | -172.2 | -70.8 | -175.2 | 179.4 | -178.7 | 0 | 113.7 | Q591 V592 V593 T597 N600 E667 L670 | Q591-K595 WeakPolarHBondContact O-CD 3.38Å; V592-K595 CarbonylContact O-C 3.59Å; V592-K595 WeakPolarHBondContact O-CA 3.38Å; V592-K595 PolarHBondContact O-N 2.96Å; V593-K595 PolarHBondContact O-N 3.17Å; K595-T597 PolarHBondContact O-N 3.32Å; K595-N600 PolarHBondContact O-ND2 3.23Å; K595-E667 PolarHBondContact NZ-O 3.41Å; K595-E667 IonicContact NZ-OE1 3.73Å; K595-E667 PolarHBondContact NZ-OE1 2.96Å; K595-L670 HydrophobicContact CB-CB 4.05Å; K595-L670 VanDerWaalsContact CB-O 3.25Å; K595-L670 WeakPolarHBondContact CB-O 3.47Å; K595-L670 HydrophobicContact CD-CB 3.77Å; K595-L670 WeakPolarHBondContact CD-O 3.27Å; K595-L670 HydrophobicContact CG-CB 4.43Å; K595-L670 WeakPolarHBondContact CG-O 3.41Å |
| 596 | L | 66.5 | Low | 66.5 | Low | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | trans | -89.7 | 72.1 | 171.6 | -77.3 | 165.9 | 0 | 0 | 0 | 110.7 | V592 V601 I636 L639 A640 L643 | V592-L596 HydrophobicContact CG1-CD1 3.92Å; V592-L596 HydrophobicContact CG1-CG 4.15Å; V592-L596 PolarHBondContact O-N 3.31Å; L596-V601 HydrophobicContact CB-CG2 4.45Å; L596-V601 HydrophobicContact CD2-CG2 3.7Å; L596-I636 HydrophobicContact CB-CG2 4.12Å; L596-I636 HydrophobicContact CD1-CG2 4.31Å; L596-L639 HydrophobicContact CD1-CB 4.42Å; L596-L639 HydrophobicContact CD1-CD2 4.33Å; L596-L639 HydrophobicContact CD1-CG 4.3Å; L596-L639 HydrophobicContact CD2-CD2 4.13Å; L596-A640 HydrophobicContact CD1-CB 3.75Å; L596-L643 HydrophobicContact CD1-CD1 4.15Å; L596-L643 HydrophobicContact CD2-CD1 3.74Å; L596-L643 HydrophobicContact CG-CD1 4.35Å | ||
| 597 | T | 70.2 | Confident | 65.9 | Low | 35 Ų | 35 | 56.8 Ų | 56.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | trans | -74.9 | 160.8 | 167.1 | 58 | 0 | 0 | 0 | 0 | 110.8 | K595 A599 N600 V601 P672 | K595-T597 PolarHBondContact O-N 3.32Å; T597-A599 PolarHBondContact O-N 3.33Å; T597-N600 PolarHBondContact O-N 1.97Å; T597-N600 WeakPolarHBondContact OG1-CB 3.42Å; T597-N600 PolarHBondContact OG1-N 3.36Å; T597-N600 VanDerWaalsContact OG1-N 3.15Å; T597-N600 PolarHBondContact OG1-OD1 3.46Å; T597-N600 VanDerWaalsContact OG1-OD1 3.09Å; T597-V601 WeakPolarHBondContact O-CB 3.27Å; T597-V601 WeakPolarHBondContact O-CG2 3.24Å; T597-V601 PolarHBondContact O-N 3.01Å; T597-P672 HydrophobicContact CG2-CB 3.83Å; T597-P672 HydrophobicContact CG2-CG 3.44Å; T597-P672 VanDerWaalsContact CG2-CG 3.44Å | ||
| 598 | T | 65.3 | Low | 65.2 | Low | 133 Ų | 133 | 54.2 Ų | 54.2 | 82% | 0.816 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.4 | -30.8 | 172.5 | 27.3 | 0 | 0 | 0 | 0 | 113 | A602 | T598-A602 VanDerWaalsContact O-CB 3.29Å; T598-A602 WeakPolarHBondContact O-CB 3.38Å; T598-A602 PolarHBondContact O-N 3.02Å |
| 599 | A | 63.5 | Low | 64.8 | Low | 44 Ų | 44 | 59.2 Ų | 59.2 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.3 | -55 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T597 V601 A602 D603 | T597-A599 PolarHBondContact O-N 3.33Å; A599-V601 PolarHBondContact O-N 2.79Å; A599-A602 CarbonylContact O-C 3.46Å; A599-A602 WeakPolarHBondContact O-CA 3.11Å; A599-A602 WeakPolarHBondContact O-CB 3.18Å; A599-A602 PolarHBondContact O-N 3.32Å; A599-D603 PolarHBondContact O-N 3.21Å |
| 600 | N | 61.6 | Low | 64.4 | Low | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.5 | -34.3 | 179.8 | -65.6 | 12.3 | 0 | 0 | 0 | 112.4 | K595 T597 L604 P672 | K595-N600 PolarHBondContact O-ND2 3.23Å; T597-N600 PolarHBondContact O-N 1.97Å; T597-N600 WeakPolarHBondContact OG1-CB 3.42Å; T597-N600 PolarHBondContact OG1-N 3.36Å; T597-N600 VanDerWaalsContact OG1-N 3.15Å; T597-N600 PolarHBondContact OG1-OD1 3.46Å; T597-N600 VanDerWaalsContact OG1-OD1 3.09Å; N600-L604 WeakPolarHBondContact O-CB 3.34Å; N600-L604 WeakPolarHBondContact O-CD1 3.18Å; N600-L604 WeakPolarHBondContact O-CG 3.32Å; N600-L604 PolarHBondContact O-N 2.91Å; N600-L604 VanDerWaalsContact O-N 3.08Å; N600-P672 WeakPolarHBondContact OD1-CA 3.46Å |
| 601 | V | 64 | Low | 63.5 | Low | 50 Ų | 50 | 65.2 Ų | 65.2 | 30% | 0.303 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.5 | -37.7 | 173.7 | 173 | 0 | 0 | 0 | 0 | 111.8 | L596 T597 A599 V605 L639 | L596-V601 HydrophobicContact CB-CG2 4.45Å; L596-V601 HydrophobicContact CD2-CG2 3.7Å; T597-V601 WeakPolarHBondContact O-CB 3.27Å; T597-V601 WeakPolarHBondContact O-CG2 3.24Å; T597-V601 PolarHBondContact O-N 3.01Å; A599-V601 PolarHBondContact O-N 2.79Å; V601-V605 WeakPolarHBondContact O-CB 3.31Å; V601-V605 VanDerWaalsContact O-CG2 3.26Å; V601-V605 WeakPolarHBondContact O-CG2 3.49Å; V601-V605 PolarHBondContact O-N 2.95Å; V601-L639 HydrophobicContact CG2-CD2 4.49Å |
| 602 | A | 61.2 | Low | 62.8 | Low | 44 Ų | 44 | 67.5 Ų | 67.5 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T598 A599 L604 V605 L606 | T598-A602 VanDerWaalsContact O-CB 3.29Å; T598-A602 WeakPolarHBondContact O-CB 3.38Å; T598-A602 PolarHBondContact O-N 3.02Å; A599-A602 CarbonylContact O-C 3.46Å; A599-A602 WeakPolarHBondContact O-CA 3.11Å; A599-A602 WeakPolarHBondContact O-CB 3.18Å; A599-A602 PolarHBondContact O-N 3.32Å; A602-L604 PolarHBondContact O-N 2.89Å; A602-V605 CarbonylContact O-C 3.56Å; A602-V605 WeakPolarHBondContact O-CA 3.39Å; A602-V605 WeakPolarHBondContact O-CB 3.38Å; A602-V605 PolarHBondContact O-N 2.96Å; A602-V605 VanDerWaalsContact O-N 3.1Å; A602-L606 WeakPolarHBondContact O-CD1 3.4Å; A602-L606 PolarHBondContact O-N 3.46Å |
| 603 | D | 61.4 | Low | 62.4 | Low | 93 Ų | 93 | 70.5 Ų | 70.5 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.9 | -71.8 | -10.8 | 0 | 0 | 0 | 112.5 | A599 V605 L606 L607 | A599-D603 PolarHBondContact O-N 3.21Å; D603-V605 VanDerWaalsContact C-N 3.28Å; D603-V605 PolarHBondContact O-N 3.49Å; D603-L606 PolarHBondContact O-N 3.07Å; D603-L607 WeakPolarHBondContact O-CB 3.17Å; D603-L607 WeakPolarHBondContact O-CD1 3.44Å; D603-L607 PolarHBondContact O-N 3.28Å |
| 604 | L | 59 | Low | 61.9 | Low | 59 Ų | 59 | 75.9 Ų | 75.9 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 172.8 | -84.2 | 163.2 | 0 | 0 | 0 | 111.9 | N600 A602 S608 I751 | N600-L604 WeakPolarHBondContact O-CB 3.34Å; N600-L604 WeakPolarHBondContact O-CD1 3.18Å; N600-L604 WeakPolarHBondContact O-CG 3.32Å; N600-L604 PolarHBondContact O-N 2.91Å; N600-L604 VanDerWaalsContact O-N 3.08Å; A602-L604 PolarHBondContact O-N 2.89Å; L604-S608 WeakPolarHBondContact O-CB 3.01Å; L604-S608 PolarHBondContact O-N 3.42Å; L604-S608 VanDerWaalsContact O-N 3.13Å; L604-I751 HydrophobicContact CD2-CD1 3.76Å |
| 605 | V | 62.4 | Low | 61.2 | Low | 70 Ų | 70 | 79.5 Ų | 79.5 | 42% | 0.424 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 174.4 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | V601 A602 D603 L607 S608 M609 | V601-V605 WeakPolarHBondContact O-CB 3.31Å; V601-V605 VanDerWaalsContact O-CG2 3.26Å; V601-V605 WeakPolarHBondContact O-CG2 3.49Å; V601-V605 PolarHBondContact O-N 2.95Å; A602-V605 CarbonylContact O-C 3.56Å; A602-V605 WeakPolarHBondContact O-CA 3.39Å; A602-V605 WeakPolarHBondContact O-CB 3.38Å; A602-V605 PolarHBondContact O-N 2.96Å; A602-V605 VanDerWaalsContact O-N 3.1Å; D603-V605 VanDerWaalsContact C-N 3.28Å; D603-V605 PolarHBondContact O-N 3.49Å; V605-L607 PolarHBondContact O-N 3.17Å; V605-S608 WeakPolarHBondContact CA-OG 3.4Å; V605-S608 CarbonylContact O-C 3.52Å; V605-S608 WeakPolarHBondContact O-CA 3.01Å; V605-S608 WeakPolarHBondContact O-CB 3.11Å; V605-S608 PolarHBondContact O-N 3.23Å; V605-S608 PolarHBondContact O-OG 2.84Å; V605-M609 HydrophobicContact CG1-CG 4.29Å; V605-M609 HydrophobicContact CG1-SD 4.27Å; V605-M609 WeakPolarHBondContact O-CG 3.35Å; V605-M609 PolarHBondContact O-N 3.45Å |
| 606 | L | 65.7 | Low | 61.1 | Low | 102 Ų | 102 | 83.5 Ų | 83.5 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.6 | -93.5 | 80.4 | 0 | 0 | 0 | 111.6 | A602 D603 S608 M609 V610 | A602-L606 WeakPolarHBondContact O-CD1 3.4Å; A602-L606 PolarHBondContact O-N 3.46Å; D603-L606 PolarHBondContact O-N 3.07Å; L606-S608 PolarHBondContact O-N 3.3Å; L606-M609 PolarHBondContact O-N 3.18Å; L606-M609 VanDerWaalsContact O-N 3.09Å; L606-V610 PolarHBondContact O-N 2.94Å |
| 607 | L | 55.1 | Low | 60.8 | Low | 93 Ų | 93 | 85.6 Ų | 85.6 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 173.2 | -98.4 | 79.9 | 0 | 0 | 0 | 112.1 | D603 V605 K742 | D603-L607 WeakPolarHBondContact O-CB 3.17Å; D603-L607 WeakPolarHBondContact O-CD1 3.44Å; D603-L607 PolarHBondContact O-N 3.28Å; V605-L607 PolarHBondContact O-N 3.17Å; L607-K742 HydrophobicContact CD2-CD 4.18Å |
| 608 | S | 52.7 | Low | 60.7 | Low | 42 Ų | 42 | 87.9 Ų | 87.9 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.3 | -31.5 | 175.2 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | L604 V605 L606 V610 T611 | L604-S608 WeakPolarHBondContact O-CB 3.01Å; L604-S608 PolarHBondContact O-N 3.42Å; L604-S608 VanDerWaalsContact O-N 3.13Å; V605-S608 WeakPolarHBondContact CA-OG 3.4Å; V605-S608 CarbonylContact O-C 3.52Å; V605-S608 WeakPolarHBondContact O-CA 3.01Å; V605-S608 WeakPolarHBondContact O-CB 3.11Å; V605-S608 PolarHBondContact O-N 3.23Å; V605-S608 PolarHBondContact O-OG 2.84Å; L606-S608 PolarHBondContact O-N 3.3Å; S608-V610 VanDerWaalsContact C-N 3.31Å; S608-V610 PolarHBondContact O-N 3.05Å; S608-T611 WeakPolarHBondContact O-CA 3.44Å; S608-T611 PolarHBondContact O-N 3.32Å; S608-T611 PolarHBondContact O-OG1 3.09Å |
| 609 | M | 59.8 | Low | 60.1 | Low | 114 Ų | 114 | 85.2 Ų | 85.2 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -34.2 | -179.5 | -77.6 | -175.4 | 67.5 | 0 | 0 | 112.6 | V605 L606 T611 L612 | V605-M609 HydrophobicContact CG1-CG 4.29Å; V605-M609 HydrophobicContact CG1-SD 4.27Å; V605-M609 WeakPolarHBondContact O-CG 3.35Å; V605-M609 PolarHBondContact O-N 3.45Å; L606-M609 PolarHBondContact O-N 3.18Å; L606-M609 VanDerWaalsContact O-N 3.09Å; M609-T611 PolarHBondContact O-N 2.97Å; M609-T611 VanDerWaalsContact O-N 3.16Å; M609-L612 HydrophobicContact CB-CD1 4.34Å; M609-L612 HydrophobicContact CG-CD1 4.1Å; M609-L612 PolarHBondContact O-N 3.4Å |
| 610 | V | 64.7 | Low | 59.2 | Low | 122 Ų | 122 | 87.9 Ų | 87.9 | 74% | 0.739 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.2 | 173.7 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | L606 S608 | L606-V610 PolarHBondContact O-N 2.94Å; S608-V610 VanDerWaalsContact C-N 3.31Å; S608-V610 PolarHBondContact O-N 3.05Å |
| 611 | T | 53 | Low | 59.4 | Low | 95 Ų | 95 | 93.8 Ų | 93.8 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 10.2 | 178.5 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | S608 M609 | S608-T611 WeakPolarHBondContact O-CA 3.44Å; S608-T611 PolarHBondContact O-N 3.32Å; S608-T611 PolarHBondContact O-OG1 3.09Å; M609-T611 PolarHBondContact O-N 2.97Å; M609-T611 VanDerWaalsContact O-N 3.16Å |
| 612 | L | 52.5 | Low | 59.2 | Low | 112 Ų | 112 | 96 Ų | 96 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -81.1 | 144.8 | 175.4 | -65.5 | 174.1 | 0 | 0 | 0 | 111.5 | M609 | M609-L612 HydrophobicContact CB-CD1 4.34Å; M609-L612 HydrophobicContact CG-CD1 4.1Å; M609-L612 PolarHBondContact O-N 3.4Å |
| 613 | P | 62.8 | Low | 58.5 | Low | 66 Ų | 66 | 98.4 Ų | 98.4 | 43% | 0.429 | 55% | 0.554 | S | S | . | * | trans | -73.7 | 146.3 | 173.7 | 30.9 | -34.9 | 0 | 0 | 0 | 112 | Q615 P617 | P613-Q615 PolarHBondContact O-N 3.48Å; P613-P617 HydrophobicContact CG-CG 4.31Å | ||
| 614 | D | 67.3 | Low | 57.6 | Low | 155 Ų | 155 | 100.9 Ų | 100.9 | 83% | 0.829 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -61.2 | -14.8 | -177.1 | -52 | -73 | 0 | 0 | 0 | 114.7 | ||
| 615 | Q | 53.2 | Low | 57.4 | Low | 169 Ų | 169 | 103.5 Ų | 103.5 | 79% | 0.79 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -125.1 | 130.6 | 170.5 | -68.5 | -170.9 | 2 | 0 | 0 | 110.9 | P613 P617 | P613-Q615 PolarHBondContact O-N 3.48Å; Q615-P617 WeakPolarHBondContact O-CD 3.25Å |
| 616 | M | 60.5 | Low | 56.7 | Low | 123 Ų | 123 | 104.2 Ų | 104.2 | 61% | 0.606 | 58% | 0.582 | S | S | * | * | trans | -66.1 | 121 | 179.2 | -180 | 159.3 | 53.6 | 0 | 0 | 111.1 | A618 F620 | M616-A618 PolarHBondContact O-N 2.84Å; M616-F620 HydrophobicContact CG-CD1 3.81Å; M616-F620 HydrophobicContact SD-CD1 3.6Å; M616-F620 VanDerWaalsContact SD-CD1 3.6Å; M616-F620 HydrophobicContact SD-CE1 3.85Å | ||
| 617 | P | 61.4 | Low | 56 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 38% | 0.383 | 59% | 0.587 | S | S | . | * | trans | -60 | 138 | -177.8 | -26.6 | 35.7 | 0 | 0 | 0 | 113 | P613 Q615 S619 F620 H621 | P613-P617 HydrophobicContact CG-CG 4.31Å; Q615-P617 WeakPolarHBondContact O-CD 3.25Å; P617-S619 PolarHBondContact O-N 2.85Å; P617-F620 HydrophobicContact CB-CB 4.31Å; P617-F620 WeakPolarHBondContact O-CA 3.39Å; P617-F620 WeakPolarHBondContact O-CB 3.43Å; P617-F620 PolarHBondContact O-N 3.06Å; P617-H621 PolarHBondContact O-N 2.95Å | ||
| 618 | A | 67.4 | Low | 55.9 | Low | 84 Ų | 84 | 106.1 Ų | 106.1 | 69% | 0.694 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.4 | -31.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M616 H621 S622 | M616-A618 PolarHBondContact O-N 2.84Å; A618-H621 PolarHBondContact O-N 3.1Å; A618-S622 WeakPolarHBondContact O-CB 3.25Å; A618-S622 PolarHBondContact O-N 3.26Å; A618-S622 PolarHBondContact O-OG 3.39Å; A618-S622 VanDerWaalsContact O-OG 3.11Å |
| 619 | S | 52.9 | Low | 55.9 | Low | 77 Ų | 77 | 106.2 Ų | 106.2 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.8 | -36.5 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | P617 S622 T623 | P617-S619 PolarHBondContact O-N 2.85Å; S619-S622 WeakPolarHBondContact CA-OG 2.68Å; S619-S622 PolarHBondContact O-OG 3.01Å; S619-T623 VanDerWaalsContact O-CB 3.25Å; S619-T623 WeakPolarHBondContact O-CB 3.12Å; S619-T623 PolarHBondContact O-N 2.84Å; S619-T623 PolarHBondContact O-OG1 3.42Å |
| 620 | F | 44.8 | Very low | 55.6 | Low | 100 Ų | 100 | 104.7 Ų | 104.7 | 44% | 0.439 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.2 | -47.7 | 173 | -175.4 | -90.9 | 0 | 0 | 0 | 109.9 | M616 P617 S622 T623 Y624 | M616-F620 HydrophobicContact CG-CD1 3.81Å; M616-F620 HydrophobicContact SD-CD1 3.6Å; M616-F620 VanDerWaalsContact SD-CD1 3.6Å; M616-F620 HydrophobicContact SD-CE1 3.85Å; P617-F620 HydrophobicContact CB-CB 4.31Å; P617-F620 WeakPolarHBondContact O-CA 3.39Å; P617-F620 WeakPolarHBondContact O-CB 3.43Å; P617-F620 PolarHBondContact O-N 3.06Å; F620-S622 PolarHBondContact O-N 3.06Å; F620-T623 PolarHBondContact O-N 2.92Å; F620-T623 VanDerWaalsContact O-N 3.07Å; F620-Y624 AromaticContact CE1-CD2 3.84Å; F620-Y624 HydrophobicContact CE1-CD2 3.84Å; F620-Y624 AromaticContact CE1-CG 4Å; F620-Y624 HydrophobicContact CE1-CG 4Å; F620-Y624 HydrophobicContact CE2-CD2 4.24Å; F620-Y624 AromaticContact CZ-CD2 3.51Å; F620-Y624 HydrophobicContact CZ-CD2 3.51Å; F620-Y624 HydrophobicContact CZ-CE2 4.17Å; F620-Y624 HydrophobicContact CZ-CG 4.13Å; F620-Y624 WeakPolarHBondContact O-CB 3.46Å; F620-Y624 PolarHBondContact O-N 3.34Å |
| 621 | H | 66.1 | Low | 55.3 | Low | 140 Ų | 140 | 101.6 Ų | 101.6 | 65% | 0.648 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.2 | -30.4 | 177.5 | -165.9 | -46.3 | 0 | 0 | 0 | 113 | P617 A618 | P617-H621 PolarHBondContact O-N 2.95Å; A618-H621 PolarHBondContact O-N 3.1Å |
| 622 | S | 60 | Low | 56.1 | Low | 98 Ų | 98 | 100 Ų | 100 | 69% | 0.685 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -86.5 | -11.7 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 115.1 | A618 S619 F620 | A618-S622 WeakPolarHBondContact O-CB 3.25Å; A618-S622 PolarHBondContact O-N 3.26Å; A618-S622 PolarHBondContact O-OG 3.39Å; A618-S622 VanDerWaalsContact O-OG 3.11Å; S619-S622 WeakPolarHBondContact CA-OG 2.68Å; S619-S622 PolarHBondContact O-OG 3.01Å; F620-S622 PolarHBondContact O-N 3.06Å |
| 623 | T | 45.1 | Very low | 56.8 | Low | 93 Ų | 93 | 99 Ų | 99 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -118.7 | -20.6 | -174.6 | -43.8 | 0 | 0 | 0 | 0 | 113 | S619 F620 T625 | S619-T623 VanDerWaalsContact O-CB 3.25Å; S619-T623 WeakPolarHBondContact O-CB 3.12Å; S619-T623 PolarHBondContact O-N 2.84Å; S619-T623 PolarHBondContact O-OG1 3.42Å; F620-T623 PolarHBondContact O-N 2.92Å; F620-T623 VanDerWaalsContact O-N 3.07Å; T623-T625 PolarHBondContact O-N 3.14Å; T623-T625 PolarHBondContact O-OG1 2.88Å |
| 624 | Y | 44.3 | Very low | 56.9 | Low | 145 Ų | 145 | 99.5 Ų | 99.5 | 57% | 0.569 | 61% | 0.611 | S | S | * | * | trans | -61.1 | 110.1 | -179.1 | 177.2 | -102.3 | 0 | 0 | 0 | 111.3 | F620 P626 | F620-Y624 AromaticContact CE1-CD2 3.84Å; F620-Y624 HydrophobicContact CE1-CD2 3.84Å; F620-Y624 AromaticContact CE1-CG 4Å; F620-Y624 HydrophobicContact CE1-CG 4Å; F620-Y624 HydrophobicContact CE2-CD2 4.24Å; F620-Y624 AromaticContact CZ-CD2 3.51Å; F620-Y624 HydrophobicContact CZ-CD2 3.51Å; F620-Y624 HydrophobicContact CZ-CE2 4.17Å; F620-Y624 HydrophobicContact CZ-CG 4.13Å; F620-Y624 WeakPolarHBondContact O-CB 3.46Å; F620-Y624 PolarHBondContact O-N 3.34Å; Y624-P626 HydrophobicContact CE1-CB 4.06Å; Y624-P626 HydrophobicContact CE1-CG 4.48Å | ||
| 625 | T | 54 | Low | 57 | Low | 115 Ų | 115 | 94.8 Ų | 94.8 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -112.6 | 112 | 173.2 | -50.1 | 0 | 0 | 0 | 0 | 107.4 | T623 I627 | T623-T625 PolarHBondContact O-N 3.14Å; T623-T625 PolarHBondContact O-OG1 2.88Å; T625-I627 PolarHBondContact O-N 3.43Å; T625-I627 VanDerWaalsContact O-N 3.14Å | ||
| 626 | P | 47.9 | Very low | 57.8 | Low | 85 Ų | 85 | 89.3 Ų | 89.3 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | trans | -63.1 | 118.5 | -175.9 | 24.4 | -33.3 | 0 | 0 | 0 | 110.3 | Y624 A628 | Y624-P626 HydrophobicContact CE1-CB 4.06Å; Y624-P626 HydrophobicContact CE1-CG 4.48Å; P626-A628 PolarHBondContact O-N 3.29Å | ||
| 627 | I | 51.2 | Low | 58.5 | Low | 123 Ų | 123 | 87.6 Ų | 87.6 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | trans | -80 | 92.5 | -171 | -38.1 | 176.4 | 0 | 0 | 0 | 109.6 | T625 A629 A630 | T625-I627 PolarHBondContact O-N 3.43Å; T625-I627 VanDerWaalsContact O-N 3.14Å; I627-A629 PolarHBondContact O-N 2.98Å; I627-A630 PolarHBondContact O-N 2.94Å | ||
| 628 | A | 52.2 | Low | 58.9 | Low | 112 Ų | 112 | 90.7 Ų | 90.7 | 93% | 0.926 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -3.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | P626 | P626-A628 PolarHBondContact O-N 3.29Š|
| 629 | A | 53.4 | Low | 59 | Low | 43 Ų | 43 | 90.4 Ų | 90.4 | 36% | 0.355 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 17.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I627 G631 T632 Q635 | I627-A629 PolarHBondContact O-N 2.98Å; A629-G631 PolarHBondContact O-N 3.43Å; A629-T632 HydrophobicContact CB-CG2 4.03Å; A629-T632 WeakPolarHBondContact O-CB 3.18Å; A629-T632 VanDerWaalsContact O-CG2 3.26Å; A629-T632 WeakPolarHBondContact O-CG2 3.26Å; A629-T632 PolarHBondContact O-N 2.61Å; A629-T632 PolarHBondContact O-OG1 3.1Å; A629-Q635 VanDerWaalsContact C-NE2 3.31Å; A629-Q635 PolarHBondContact O-NE2 2.94Å; A629-Q635 PolarHBondContact O-OE1 3.19Å; A629-Q635 VanDerWaalsContact O-OE1 3.12Å |
| 630 | A | 52.1 | Low | 60 | Low | 82 Ų | 82 | 86.8 Ų | 86.8 | 68% | 0.678 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.7 | 120 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I627 T632 | I627-A630 PolarHBondContact O-N 2.94Å; A630-T632 VanDerWaalsContact C-N 3.34Å; A630-T632 PolarHBondContact O-N 2.83Å |
| 631 | G | 59.5 | Low | 61.4 | Low | 57 Ų | 57 | 87 Ų | 87 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 5.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A629 | A629-G631 PolarHBondContact O-N 3.43Š|
| 632 | T | 70.1 | Confident | 61.6 | Low | 62 Ų | 62 | 82.5 Ų | 82.5 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | trans | -62 | 147.3 | 171.5 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | A629 A630 A634 Q635 I636 | A629-T632 HydrophobicContact CB-CG2 4.03Å; A629-T632 WeakPolarHBondContact O-CB 3.18Å; A629-T632 VanDerWaalsContact O-CG2 3.26Å; A629-T632 WeakPolarHBondContact O-CG2 3.26Å; A629-T632 PolarHBondContact O-N 2.61Å; A629-T632 PolarHBondContact O-OG1 3.1Å; A630-T632 VanDerWaalsContact C-N 3.34Å; A630-T632 PolarHBondContact O-N 2.83Å; T632-A634 PolarHBondContact O-N 2.96Å; T632-A634 VanDerWaalsContact O-N 3.1Å; T632-Q635 CarbonylContact O-C 3.52Å; T632-Q635 WeakPolarHBondContact O-CA 3.29Å; T632-Q635 WeakPolarHBondContact O-CB 3.39Å; T632-Q635 PolarHBondContact O-N 3.29Å; T632-I636 PolarHBondContact O-N 3.36Å | ||
| 633 | S | 66.3 | Low | 62 | Low | 92 Ų | 92 | 78.7 Ų | 78.7 | 64% | 0.643 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -54 | -34.1 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 113 | I636 H637 | S633-I636 PolarHBondContact O-N 2.55Å; S633-H637 WeakPolarHBondContact O-CB 3.25Å; S633-H637 PolarHBondContact O-N 2.87Å |
| 634 | A | 66 | Low | 63.1 | Low | 76 Ų | 76 | 74.3 Ų | 74.3 | 63% | 0.628 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T632 H638 | T632-A634 PolarHBondContact O-N 2.96Å; T632-A634 VanDerWaalsContact O-N 3.1Å; A634-H638 WeakPolarHBondContact O-CB 3.35Å; A634-H638 PolarHBondContact O-N 2.79Å |
| 635 | Q | 67.8 | Low | 64.2 | Low | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.257 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 170.9 | -81.2 | -169.7 | -2.8 | 0 | 0 | 112.3 | A629 T632 H637 H638 L639 | A629-Q635 VanDerWaalsContact C-NE2 3.31Å; A629-Q635 PolarHBondContact O-NE2 2.94Å; A629-Q635 PolarHBondContact O-OE1 3.19Å; A629-Q635 VanDerWaalsContact O-OE1 3.12Å; T632-Q635 CarbonylContact O-C 3.52Å; T632-Q635 WeakPolarHBondContact O-CA 3.29Å; T632-Q635 WeakPolarHBondContact O-CB 3.39Å; T632-Q635 PolarHBondContact O-N 3.29Å; Q635-H637 VanDerWaalsContact C-N 3.25Å; Q635-H637 PolarHBondContact O-N 2.98Å; Q635-H638 CarbonylContact O-C 3.53Å; Q635-H638 WeakPolarHBondContact O-CA 3.22Å; Q635-H638 WeakPolarHBondContact O-CB 3.45Å; Q635-H638 PolarHBondContact O-N 3.4Å; Q635-L639 WeakPolarHBondContact O-CB 3.2Å; Q635-L639 PolarHBondContact O-N 3.32Å |
| 636 | I | 70.6 | Confident | 64.6 | Low | 54 Ų | 54 | 66.1 Ų | 66.1 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 178.1 | -62.5 | 169.5 | 0 | 0 | 0 | 109.8 | L596 T632 S633 H638 A640 | L596-I636 HydrophobicContact CB-CG2 4.12Å; L596-I636 HydrophobicContact CD1-CG2 4.31Å; T632-I636 PolarHBondContact O-N 3.36Å; S633-I636 PolarHBondContact O-N 2.55Å; I636-H638 VanDerWaalsContact C-N 3.35Å; I636-H638 PolarHBondContact O-N 2.69Å; I636-A640 WeakPolarHBondContact O-CB 3.38Å; I636-A640 PolarHBondContact O-N 3.38Å |
| 637 | H | 74.3 | Confident | 65.3 | Low | 88 Ų | 88 | 62.6 Ų | 62.6 | 41% | 0.407 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.4 | -30.9 | 174.9 | -131 | -56 | 0 | 0 | 0 | 113.5 | T589 V593 S633 Q635 R641 | T589-H637 WeakPolarHBondContact CG2-ND1 3.4Å; V593-H637 HydrophobicContact CG2-CB 4.46Å; S633-H637 WeakPolarHBondContact O-CB 3.25Å; S633-H637 PolarHBondContact O-N 2.87Å; Q635-H637 VanDerWaalsContact C-N 3.25Å; Q635-H637 PolarHBondContact O-N 2.98Å; H637-R641 WeakPolarHBondContact O-CB 3.26Å; H637-R641 PolarHBondContact O-N 2.74Å |
| 638 | H | 70.1 | Confident | 65.9 | Low | 123 Ų | 123 | 58.1 Ų | 58.1 | 57% | 0.569 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -75.3 | -41.9 | 175.7 | -173 | 67.2 | 0 | 0 | 0 | 112 | A634 Q635 I636 R641 M642 | A634-H638 WeakPolarHBondContact O-CB 3.35Å; A634-H638 PolarHBondContact O-N 2.79Å; Q635-H638 CarbonylContact O-C 3.53Å; Q635-H638 WeakPolarHBondContact O-CA 3.22Å; Q635-H638 WeakPolarHBondContact O-CB 3.45Å; Q635-H638 PolarHBondContact O-N 3.4Å; I636-H638 VanDerWaalsContact C-N 3.35Å; I636-H638 PolarHBondContact O-N 2.69Å; H638-R641 CarbonylContact O-C 3.55Å; H638-R641 WeakPolarHBondContact O-CB 3.48Å; H638-R641 PolarHBondContact O-N 3.12Å; H638-M642 PolarHBondContact O-N 2.98Å |
| 639 | L | 70.6 | Confident | 66.5 | Low | 79 Ų | 79 | 57.5 Ų | 57.5 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.9 | -174.1 | 66.6 | 0 | 0 | 0 | 110.8 | L596 V601 Q635 R641 M642 L643 | L596-L639 HydrophobicContact CD1-CB 4.42Å; L596-L639 HydrophobicContact CD1-CD2 4.33Å; L596-L639 HydrophobicContact CD1-CG 4.3Å; L596-L639 HydrophobicContact CD2-CD2 4.13Å; V601-L639 HydrophobicContact CG2-CD2 4.49Å; Q635-L639 WeakPolarHBondContact O-CB 3.2Å; Q635-L639 PolarHBondContact O-N 3.32Å; L639-R641 VanDerWaalsContact C-N 3.26Å; L639-R641 PolarHBondContact O-N 3.24Å; L639-M642 PolarHBondContact O-N 3.47Å; L639-L643 HydrophobicContact CG-CD1 4.31Å; L639-L643 WeakPolarHBondContact O-CB 3.4Å; L639-L643 PolarHBondContact O-N 3.3Å |
| 640 | A | 73.9 | Confident | 66.7 | Low | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -34.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T589 V592 V593 L596 I636 A644 | T589-A640 HydrophobicContact CG2-CB 3.91Å; V592-A640 HydrophobicContact CB-CB 4.22Å; V592-A640 HydrophobicContact CG1-CB 3.92Å; V593-A640 HydrophobicContact CB-CB 4.32Å; V593-A640 HydrophobicContact CG2-CB 3.34Å; L596-A640 HydrophobicContact CD1-CB 3.75Å; I636-A640 WeakPolarHBondContact O-CB 3.38Å; I636-A640 PolarHBondContact O-N 3.38Å; A640-A644 WeakPolarHBondContact O-CB 3.47Å; A640-A644 PolarHBondContact O-N 2.82Å |
| 641 | R | 74.5 | Confident | 67 | Low | 104 Ų | 104 | 54.8 Ų | 54.8 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.5 | -40.2 | 174.1 | -163.6 | -173 | -163.2 | 80.5 | 14.2 | 111.6 | I585 D586 T589 H637 H638 L639 A644 V645 | I585-R641 HydrophobicContact CG2-CG 4.06Å; D586-R641 IonicContact OD1-CZ 3.49Å; D586-R641 IonicContact OD1-NH1 3.25Å; D586-R641 PolarHBondContact OD1-NH1 3.33Å; D586-R641 IonicContact OD1-NH2 3.38Å; D586-R641 PolarHBondContact OD1-NH2 2.92Å; D586-R641 IonicContact OD2-CZ 3.94Å; D586-R641 IonicContact OD2-NH1 3Å; D586-R641 IonicContact OD2-NH2 2.88Å; D586-R641 PolarHBondContact OD2-NH2 3.06Å; T589-R641 HydrophobicContact CG2-CB 4.29Å; T589-R641 WeakPolarHBondContact OG1-CA 3.42Å; H637-R641 WeakPolarHBondContact O-CB 3.26Å; H637-R641 PolarHBondContact O-N 2.74Å; H638-R641 CarbonylContact O-C 3.55Å; H638-R641 WeakPolarHBondContact O-CB 3.48Å; H638-R641 PolarHBondContact O-N 3.12Å; L639-R641 VanDerWaalsContact C-N 3.26Å; L639-R641 PolarHBondContact O-N 3.24Å; R641-A644 PolarHBondContact O-N 3.49Å; R641-V645 WeakPolarHBondContact O-CG2 3.1Å; R641-V645 PolarHBondContact O-N 2.92Å |
| 642 | M | 69.8 | Low | 66.8 | Low | 46 Ų | 46 | 54.1 Ų | 54.1 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 174.4 | -79.7 | -53.8 | -42.5 | 0 | 0 | 111.7 | H638 L639 A644 V645 Q646 L754 | H638-M642 PolarHBondContact O-N 2.98Å; L639-M642 PolarHBondContact O-N 3.47Å; M642-A644 VanDerWaalsContact C-N 3.34Å; M642-A644 PolarHBondContact O-N 2.89Å; M642-V645 WeakPolarHBondContact O-CB 3.47Å; M642-V645 PolarHBondContact O-N 2.9Å; M642-Q646 PolarHBondContact O-N 3.35Å; M642-L754 HydrophobicContact CE-CD1 3.39Å; M642-L754 HydrophobicContact CE-CD2 3.83Å; M642-L754 HydrophobicContact CE-CG 4.29Å; M642-L754 HydrophobicContact CG-CD2 4.35Å; M642-L754 HydrophobicContact SD-CD1 4.29Å; M642-L754 HydrophobicContact SD-CD2 4.37Å |
| 643 | L | 67.1 | Low | 66.2 | Low | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 173.4 | -76 | 164.5 | 0 | 0 | 0 | 111.1 | V592 L596 L639 V645 Q646 L647 | V592-L643 HydrophobicContact CG1-CB 4.13Å; V592-L643 HydrophobicContact CG1-CD1 4.24Å; L596-L643 HydrophobicContact CD1-CD1 4.15Å; L596-L643 HydrophobicContact CD2-CD1 3.74Å; L596-L643 HydrophobicContact CG-CD1 4.35Å; L639-L643 HydrophobicContact CG-CD1 4.31Å; L639-L643 WeakPolarHBondContact O-CB 3.4Å; L639-L643 PolarHBondContact O-N 3.3Å; L643-V645 VanDerWaalsContact C-N 3.32Å; L643-V645 PolarHBondContact O-N 2.92Å; L643-Q646 CarbonylContact O-C 3.52Å; L643-Q646 PolarHBondContact O-N 3.1Å; L643-Q646 VanDerWaalsContact O-N 3.16Å; L643-L647 VanDerWaalsContact O-CB 3.3Å; L643-L647 WeakPolarHBondContact O-CB 3.22Å; L643-L647 WeakPolarHBondContact O-CD1 3.36Å; L643-L647 WeakPolarHBondContact O-CG 3.23Å; L643-L647 PolarHBondContact O-N 2.79Å |
| 644 | A | 68.7 | Low | 65 | Low | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I585 I588 T589 A640 R641 M642 T648 | I585-A644 HydrophobicContact CG2-CB 3.98Å; I585-A644 WeakPolarHBondContact O-CB 3.48Å; I588-A644 HydrophobicContact CB-CB 3.85Å; I588-A644 HydrophobicContact CG2-CB 3.72Å; T589-A644 VanDerWaalsContact OG1-CB 3.3Å; T589-A644 WeakPolarHBondContact OG1-CB 3.47Å; A640-A644 WeakPolarHBondContact O-CB 3.47Å; A640-A644 PolarHBondContact O-N 2.82Å; R641-A644 PolarHBondContact O-N 3.49Å; M642-A644 VanDerWaalsContact C-N 3.34Å; M642-A644 PolarHBondContact O-N 2.89Å; A644-T648 WeakPolarHBondContact O-CB 3.23Å; A644-T648 PolarHBondContact O-N 2.82Å; A644-T648 PolarHBondContact O-OG1 3.22Å |
| 645 | V | 66.8 | Low | 64 | Low | 55 Ų | 55 | 50.1 Ų | 50.1 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 170.6 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | I585 R641 M642 L643 L647 T648 V649 | I585-V645 HydrophobicContact CD1-CG2 4.01Å; I585-V645 HydrophobicContact CG1-CG2 4.29Å; I585-V645 HydrophobicContact CG2-CG2 3.83Å; R641-V645 WeakPolarHBondContact O-CG2 3.1Å; R641-V645 PolarHBondContact O-N 2.92Å; M642-V645 WeakPolarHBondContact O-CB 3.47Å; M642-V645 PolarHBondContact O-N 2.9Å; L643-V645 VanDerWaalsContact C-N 3.32Å; L643-V645 PolarHBondContact O-N 2.92Å; V645-L647 PolarHBondContact O-N 3.3Å; V645-T648 PolarHBondContact O-N 3.42Å; V645-V649 WeakPolarHBondContact O-CG2 3.18Å; V645-V649 PolarHBondContact O-N 2.86Å |
| 646 | Q | 63.4 | Low | 62.8 | Low | 34 Ų | 34 | 53.9 Ų | 53.9 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.9 | -71.5 | 169.2 | -54.2 | 0 | 0 | 112 | M642 L643 T648 V649 W650 M749 | M642-Q646 PolarHBondContact O-N 3.35Å; L643-Q646 CarbonylContact O-C 3.52Å; L643-Q646 PolarHBondContact O-N 3.1Å; L643-Q646 VanDerWaalsContact O-N 3.16Å; Q646-T648 PolarHBondContact O-N 2.85Å; Q646-V649 PolarHBondContact O-N 2.95Å; Q646-W650 VanDerWaalsContact O-CB 3.32Å; Q646-W650 WeakPolarHBondContact O-CB 3.37Å; Q646-W650 PolarHBondContact O-N 3.41Å; Q646-M749 HydrophobicContact CB-SD 4.03Å |
| 647 | L | 62 | Low | 61.4 | Low | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 175.5 | -67.7 | 164.9 | 0 | 0 | 0 | 112 | I588 V592 L643 V645 A651 L666 L670 M749 | I588-L647 HydrophobicContact CG2-CB 4.17Å; I588-L647 HydrophobicContact CG2-CD1 3.76Å; V592-L647 HydrophobicContact CG2-CD1 3.58Å; L643-L647 VanDerWaalsContact O-CB 3.3Å; L643-L647 WeakPolarHBondContact O-CB 3.22Å; L643-L647 WeakPolarHBondContact O-CD1 3.36Å; L643-L647 WeakPolarHBondContact O-CG 3.23Å; L643-L647 PolarHBondContact O-N 2.79Å; V645-L647 PolarHBondContact O-N 3.3Å; L647-A651 WeakPolarHBondContact O-CB 3.32Å; L647-A651 PolarHBondContact O-N 3.38Å; L647-L666 HydrophobicContact CD2-CB 3.92Å; L647-L666 HydrophobicContact CD2-CD1 3.56Å; L647-L666 HydrophobicContact CD2-CD2 3.86Å; L647-L666 HydrophobicContact CD2-CG 3.97Å; L647-L670 HydrophobicContact CD1-CD1 4.49Å; L647-M749 HydrophobicContact CD2-CE 4.02Å |
| 648 | T | 65.1 | Low | 60.3 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 17% | 0.172 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | I582 I585 I588 A644 V645 Q646 G652 | I582-T648 HydrophobicContact CG2-CG2 3.96Å; I585-T648 HydrophobicContact CG1-CG2 4.33Å; I585-T648 WeakPolarHBondContact CG1-OG1 3.33Å; I588-T648 WeakPolarHBondContact CD1-OG1 3.33Å; A644-T648 WeakPolarHBondContact O-CB 3.23Å; A644-T648 PolarHBondContact O-N 2.82Å; A644-T648 PolarHBondContact O-OG1 3.22Å; V645-T648 PolarHBondContact O-N 3.42Å; Q646-T648 PolarHBondContact O-N 2.85Å; T648-G652 PolarHBondContact O-N 2.89Å |
| 649 | V | 63.2 | Low | 59.4 | Low | 99 Ų | 99 | 55.7 Ų | 55.7 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.7 | -48.9 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V645 Q646 A651 G652 | V645-V649 WeakPolarHBondContact O-CG2 3.18Å; V645-V649 PolarHBondContact O-N 2.86Å; Q646-V649 PolarHBondContact O-N 2.95Å; V649-A651 PolarHBondContact O-N 3Å; V649-G652 WeakPolarHBondContact O-CA 3.33Å; V649-G652 PolarHBondContact O-N 2.95Å |
| 650 | W | 57.6 | Low | 58.5 | Low | 69 Ų | 69 | 56 Ų | 56 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | -177.4 | -157 | 81.8 | 0 | 0 | 0 | 113 | Q646 G652 R662 L666 | Q646-W650 VanDerWaalsContact O-CB 3.32Å; Q646-W650 WeakPolarHBondContact O-CB 3.37Å; Q646-W650 PolarHBondContact O-N 3.41Å; W650-G652 VanDerWaalsContact C-N 3.29Å; W650-R662 HydrophobicContact CZ3-CB 4.25Å; W650-R662 HydrophobicContact CZ3-CG 4.36Å; W650-L666 HydrophobicContact CD2-CD1 4.41Å; W650-L666 HydrophobicContact CE3-CD1 3.39Å; W650-L666 HydrophobicContact CZ3-CD1 3.46Å; W650-L666 VanDerWaalsContact CZ3-CD1 3.46Å; W650-L666 HydrophobicContact CZ3-CG 4.29Å |
| 651 | A | 60.4 | Low | 57.6 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -74.3 | -18.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L647 V649 E653 V659 I663 | L647-A651 WeakPolarHBondContact O-CB 3.32Å; L647-A651 PolarHBondContact O-N 3.38Å; V649-A651 PolarHBondContact O-N 3Å; A651-E653 VanDerWaalsContact C-N 3.28Å; A651-E653 PolarHBondContact O-N 3.06Å; A651-V659 HydrophobicContact CB-CG1 3.9Å; A651-V659 WeakPolarHBondContact O-CG2 3.3Å; A651-I663 HydrophobicContact CB-CD1 3.99Å; A651-I663 HydrophobicContact CB-CG1 3.87Å |
| 652 | G | 54.6 | Low | 56.5 | Low | 42 Ų | 42 | 58.4 Ų | 58.4 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T648 V649 W650 G654 | T648-G652 PolarHBondContact O-N 2.89Å; V649-G652 WeakPolarHBondContact O-CA 3.33Å; V649-G652 PolarHBondContact O-N 2.95Å; W650-G652 VanDerWaalsContact C-N 3.29Å; G652-G654 VanDerWaalsContact C-N 3.29Å; G652-G654 PolarHBondContact O-N 3.11Å |
| 653 | E | 57.6 | Low | 55.9 | Low | 84 Ų | 84 | 57.1 Ų | 57.1 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 31.8 | -179.2 | -58.1 | -161.6 | 113.8 | 0 | 0 | 113.5 | A651 R662 | A651-E653 VanDerWaalsContact C-N 3.28Å; A651-E653 PolarHBondContact O-N 3.06Å; E653-R662 VanDerWaalsContact C-NH1 3.34Å; E653-R662 PolarHBondContact O-NH1 3Å; E653-R662 PolarHBondContact O-NH2 2.91Å; E653-R662 VanDerWaalsContact O-NH2 3.13Å |
| 654 | G | 41.2 | Very low | 55.5 | Low | 23 Ų | 23 | 59.5 Ų | 59.5 | 24% | 0.237 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -145.1 | 160.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G652 | G652-G654 VanDerWaalsContact C-N 3.29Å; G652-G654 PolarHBondContact O-N 3.11Å |
| 655 | G | 44.2 | Very low | 54.8 | Low | 39 Ų | 39 | 64.7 Ų | 64.7 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | trans | -64.5 | 154.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y657 E658 V659 | G655-Y657 CarbonylContact O-C 3.6Å; G655-Y657 PolarHBondContact O-N 3.06Å; G655-E658 PolarHBondContact N-OE2 3.34Å; G655-E658 WeakPolarHBondContact O-CA 3.14Å; G655-E658 WeakPolarHBondContact O-CB 3.36Å; G655-E658 PolarHBondContact O-N 3.48Å; G655-V659 WeakPolarHBondContact O-CG2 3.31Å; G655-V659 PolarHBondContact O-N 2.97Å; G655-V659 VanDerWaalsContact O-N 3.13Å | ||
| 656 | Q | 42.7 | Very low | 53.9 | Low | 134 Ų | 134 | 63 Ų | 63 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -17 | -170.1 | -71.2 | -177.5 | -14 | 0 | 0 | 116.7 | ||
| 657 | Y | 42.2 | Very low | 53.3 | Low | 188 Ų | 188 | 64.1 Ų | 64.1 | 74% | 0.737 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -32.7 | 172.4 | -73.6 | -89.7 | 0 | 0 | 0 | 113.1 | G655 | G655-Y657 CarbonylContact O-C 3.6Å; G655-Y657 PolarHBondContact O-N 3.06Å |
| 658 | E | 51.2 | Low | 53 | Low | 101 Ų | 101 | 69.3 Ų | 69.3 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 173.5 | -59.8 | 177.3 | 98.5 | 0 | 0 | 112.2 | G655 L660 D661 R662 | G655-E658 PolarHBondContact N-OE2 3.34Å; G655-E658 WeakPolarHBondContact O-CA 3.14Å; G655-E658 WeakPolarHBondContact O-CB 3.36Å; G655-E658 PolarHBondContact O-N 3.48Å; E658-L660 PolarHBondContact O-N 2.89Å; E658-D661 PolarHBondContact O-N 3.49Å; E658-R662 WeakPolarHBondContact O-CB 3.11Å; E658-R662 WeakPolarHBondContact O-CG 3.35Å; E658-R662 PolarHBondContact O-N 3.44Å; E658-R662 IonicContact OE1-NH2 2.66Å |
| 659 | V | 50 | Low | 52.1 | Low | 14 Ų | 14 | 74.6 Ų | 74.6 | 9% | 0.085 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -52 | -43.9 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | A651 G655 I663 | A651-V659 HydrophobicContact CB-CG1 3.9Å; A651-V659 WeakPolarHBondContact O-CG2 3.3Å; G655-V659 WeakPolarHBondContact O-CG2 3.31Å; G655-V659 PolarHBondContact O-N 2.97Å; G655-V659 VanDerWaalsContact O-N 3.13Å; V659-I663 HydrophobicContact CG1-CD1 4.15Å; V659-I663 WeakPolarHBondContact O-CB 3.49Å; V659-I663 WeakPolarHBondContact O-CD1 3.12Å; V659-I663 VanDerWaalsContact O-CG1 3.25Å; V659-I663 WeakPolarHBondContact O-CG1 3.29Å; V659-I663 PolarHBondContact O-N 3.18Å; V659-I663 VanDerWaalsContact O-N 3.14Å |
| 660 | L | 52.9 | Low | 51.4 | Low | 87 Ų | 87 | 71.1 Ų | 71.1 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.5 | -40 | -178.3 | -168.1 | 64.8 | 0 | 0 | 0 | 111.7 | E658 I663 N664 | E658-L660 PolarHBondContact O-N 2.89Å; L660-I663 PolarHBondContact O-N 3.33Å; L660-N664 WeakPolarHBondContact O-CB 3.34Å; L660-N664 PolarHBondContact O-N 3.1Å; L660-N664 PolarHBondContact O-ND2 2.7Å; L660-N664 VanDerWaalsContact O-ND2 3.14Å |
| 661 | D | 55.3 | Low | 50.6 | Low | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 176.4 | -82.2 | -11.9 | 0 | 0 | 0 | 112.7 | E658 I663 N664 Q665 | E658-D661 PolarHBondContact O-N 3.49Å; D661-I663 VanDerWaalsContact C-N 3.35Å; D661-N664 PolarHBondContact O-N 3.29Å; D661-Q665 WeakPolarHBondContact O-CB 3.23Å; D661-Q665 WeakPolarHBondContact O-CG 3.35Å; D661-Q665 PolarHBondContact O-N 3.09Å |
| 662 | R | 51.4 | Low | 49.5 | Very low | 58 Ų | 58 | 74 Ų | 74 | 22% | 0.219 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 172.7 | -69.8 | -174.9 | -165.7 | 177.4 | 9.9 | 111.4 | W650 E653 E658 Q665 L666 | W650-R662 HydrophobicContact CZ3-CB 4.25Å; W650-R662 HydrophobicContact CZ3-CG 4.36Å; E653-R662 VanDerWaalsContact C-NH1 3.34Å; E653-R662 PolarHBondContact O-NH1 3Å; E653-R662 PolarHBondContact O-NH2 2.91Å; E653-R662 VanDerWaalsContact O-NH2 3.13Å; E658-R662 WeakPolarHBondContact O-CB 3.11Å; E658-R662 WeakPolarHBondContact O-CG 3.35Å; E658-R662 PolarHBondContact O-N 3.44Å; E658-R662 IonicContact OE1-NH2 2.66Å; R662-Q665 PolarHBondContact O-N 3.09Å; R662-L666 WeakPolarHBondContact O-CB 3.27Å; R662-L666 WeakPolarHBondContact O-CD1 3.38Å; R662-L666 PolarHBondContact O-N 2.92Å |
| 663 | I | 56.2 | Low | 48.7 | Very low | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 174 | -70.7 | 170.5 | 0 | 0 | 0 | 110.9 | P583 A651 V659 L660 D661 L666 E667 | P583-I663 HydrophobicContact CG-CD1 3.56Å; A651-I663 HydrophobicContact CB-CD1 3.99Å; A651-I663 HydrophobicContact CB-CG1 3.87Å; V659-I663 HydrophobicContact CG1-CD1 4.15Å; V659-I663 WeakPolarHBondContact O-CB 3.49Å; V659-I663 WeakPolarHBondContact O-CD1 3.12Å; V659-I663 VanDerWaalsContact O-CG1 3.25Å; V659-I663 WeakPolarHBondContact O-CG1 3.29Å; V659-I663 PolarHBondContact O-N 3.18Å; V659-I663 VanDerWaalsContact O-N 3.14Å; L660-I663 PolarHBondContact O-N 3.33Å; D661-I663 VanDerWaalsContact C-N 3.35Å; I663-L666 PolarHBondContact O-N 2.85Å; I663-E667 HydrophobicContact CG2-CG 4.48Å; I663-E667 WeakPolarHBondContact O-CB 3.18Å; I663-E667 WeakPolarHBondContact O-CG 3.44Å; I663-E667 PolarHBondContact O-N 2.8Å |
| 664 | N | 58.3 | Low | 47.5 | Very low | 69 Ų | 69 | 80.1 Ų | 80.1 | 37% | 0.369 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.8 | -67.1 | -30 | 0 | 0 | 0 | 112.1 | L660 D661 E667 L668 | L660-N664 WeakPolarHBondContact O-CB 3.34Å; L660-N664 PolarHBondContact O-N 3.1Å; L660-N664 PolarHBondContact O-ND2 2.7Å; L660-N664 VanDerWaalsContact O-ND2 3.14Å; D661-N664 PolarHBondContact O-N 3.29Å; N664-E667 PolarHBondContact O-N 2.83Å; N664-L668 WeakPolarHBondContact O-CG 3.48Å; N664-L668 PolarHBondContact O-N 3.03Å |
| 665 | Q | 54.3 | Low | 47 | Very low | 109 Ų | 109 | 85.9 Ų | 85.9 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.1 | -73.1 | 164.7 | 12.6 | 0 | 0 | 111.8 | D661 R662 L668 L669 | D661-Q665 WeakPolarHBondContact O-CB 3.23Å; D661-Q665 WeakPolarHBondContact O-CG 3.35Å; D661-Q665 PolarHBondContact O-N 3.09Å; R662-Q665 PolarHBondContact O-N 3.09Å; Q665-L668 WeakPolarHBondContact O-CB 3.49Å; Q665-L668 PolarHBondContact O-N 2.77Å; Q665-L669 WeakPolarHBondContact O-CG 3.35Å; Q665-L669 PolarHBondContact O-N 3.04Å |
| 666 | L | 48.4 | Very low | 46.3 | Very low | 21 Ų | 21 | 90.5 Ų | 90.5 | 11% | 0.11 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73.1 | -29.5 | 173.5 | -78.2 | 153.7 | 0 | 0 | 0 | 112.7 | L647 W650 R662 I663 L668 L669 L670 M749 | L647-L666 HydrophobicContact CD2-CB 3.92Å; L647-L666 HydrophobicContact CD2-CD1 3.56Å; L647-L666 HydrophobicContact CD2-CD2 3.86Å; L647-L666 HydrophobicContact CD2-CG 3.97Å; W650-L666 HydrophobicContact CD2-CD1 4.41Å; W650-L666 HydrophobicContact CE3-CD1 3.39Å; W650-L666 HydrophobicContact CZ3-CD1 3.46Å; W650-L666 VanDerWaalsContact CZ3-CD1 3.46Å; W650-L666 HydrophobicContact CZ3-CG 4.29Å; R662-L666 WeakPolarHBondContact O-CB 3.27Å; R662-L666 WeakPolarHBondContact O-CD1 3.38Å; R662-L666 PolarHBondContact O-N 2.92Å; I663-L666 PolarHBondContact O-N 2.85Å; L666-L668 VanDerWaalsContact C-N 3.26Å; L666-L668 PolarHBondContact O-N 3.01Å; L666-L669 HydrophobicContact CD2-CD1 4.29Å; L666-L669 PolarHBondContact O-N 3.45Å; L666-L670 WeakPolarHBondContact O-CB 3.48Å; L666-L670 WeakPolarHBondContact O-CG 3.48Å; L666-L670 PolarHBondContact O-N 3.27Å; L666-L670 VanDerWaalsContact O-N 3.16Å; L666-M749 HydrophobicContact CD2-CE 4.1Å |
| 667 | E | 50.2 | Low | 45.6 | Very low | 57 Ų | 57 | 91.1 Ų | 91.1 | 27% | 0.266 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.9 | -26.3 | 169.5 | -81.3 | -139.2 | 98.6 | 0 | 0 | 113.2 | Q591 K595 I663 N664 I671 | Q591-E667 PolarHBondContact NE2-OE1 3.06Å; Q591-E667 PolarHBondContact NE2-OE2 3.04Å; K595-E667 PolarHBondContact NZ-O 3.41Å; K595-E667 IonicContact NZ-OE1 3.73Å; K595-E667 PolarHBondContact NZ-OE1 2.96Å; I663-E667 HydrophobicContact CG2-CG 4.48Å; I663-E667 WeakPolarHBondContact O-CB 3.18Å; I663-E667 WeakPolarHBondContact O-CG 3.44Å; I663-E667 PolarHBondContact O-N 2.8Å; N664-E667 PolarHBondContact O-N 2.83Å; E667-I671 WeakPolarHBondContact O-CG1 3.33Å |
| 668 | L | 55.7 | Low | 44.9 | Very low | 120 Ų | 120 | 90 Ų | 90 | 63% | 0.628 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -79.5 | -42.1 | 171.6 | -72.4 | 162.6 | 0 | 0 | 0 | 112 | N664 Q665 L666 L670 I671 | N664-L668 WeakPolarHBondContact O-CG 3.48Å; N664-L668 PolarHBondContact O-N 3.03Å; Q665-L668 WeakPolarHBondContact O-CB 3.49Å; Q665-L668 PolarHBondContact O-N 2.77Å; L666-L668 VanDerWaalsContact C-N 3.26Å; L666-L668 PolarHBondContact O-N 3.01Å; L668-L670 PolarHBondContact O-N 2.91Å; L668-I671 HydrophobicContact CD2-CD1 4.04Å; L668-I671 WeakPolarHBondContact O-CG1 3.49Å; L668-I671 PolarHBondContact O-N 2.84Å |
| 669 | L | 46.4 | Very low | 43.7 | Very low | 138 Ų | 138 | 91 Ų | 91 | 72% | 0.723 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.5 | -13.6 | 177.4 | -72.6 | 167.8 | 0 | 0 | 0 | 114.4 | Q665 L666 | Q665-L669 WeakPolarHBondContact O-CG 3.35Å; Q665-L669 PolarHBondContact O-N 3.04Å; L666-L669 HydrophobicContact CD2-CD1 4.29Å; L666-L669 PolarHBondContact O-N 3.45Å |
| 670 | L | 48.6 | Very low | 42.5 | Very low | 26 Ų | 26 | 93.7 Ų | 93.7 | 14% | 0.136 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 18 | 177.8 | -75 | 169.1 | 0 | 0 | 0 | 112.8 | V592 K595 L647 L666 L668 | V592-L670 HydrophobicContact CG2-CD1 4.34Å; K595-L670 HydrophobicContact CB-CB 4.05Å; K595-L670 VanDerWaalsContact CB-O 3.25Å; K595-L670 WeakPolarHBondContact CB-O 3.47Å; K595-L670 HydrophobicContact CD-CB 3.77Å; K595-L670 WeakPolarHBondContact CD-O 3.27Å; K595-L670 HydrophobicContact CG-CB 4.43Å; K595-L670 WeakPolarHBondContact CG-O 3.41Å; L647-L670 HydrophobicContact CD1-CD1 4.49Å; L666-L670 WeakPolarHBondContact O-CB 3.48Å; L666-L670 WeakPolarHBondContact O-CG 3.48Å; L666-L670 PolarHBondContact O-N 3.27Å; L666-L670 VanDerWaalsContact O-N 3.16Å; L668-L670 PolarHBondContact O-N 2.91Å |
| 671 | I | 41.9 | Very low | 41.3 | Very low | 96 Ų | 96 | 94.8 Ų | 94.8 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | trans | -82 | 123.9 | 172.6 | -62.7 | 176.2 | 0 | 0 | 0 | 108.7 | E667 L668 | E667-I671 WeakPolarHBondContact O-CG1 3.33Å; L668-I671 HydrophobicContact CD2-CD1 4.04Å; L668-I671 WeakPolarHBondContact O-CG1 3.49Å; L668-I671 PolarHBondContact O-N 2.84Å | ||
| 672 | P | 37.1 | Very low | 40.2 | Very low | 34 Ų | 34 | 98.8 Ų | 98.8 | 22% | 0.221 | 53% | 0.526 | C | S | . | . | trans | -65.5 | 136.6 | 173.3 | -15.3 | 28.7 | 0 | 0 | 0 | 111.8 | T597 N600 D674 | T597-P672 HydrophobicContact CG2-CB 3.83Å; T597-P672 HydrophobicContact CG2-CG 3.44Å; T597-P672 VanDerWaalsContact CG2-CG 3.44Å; N600-P672 WeakPolarHBondContact OD1-CA 3.46Å; P672-D674 VanDerWaalsContact C-N 3.33Å; P672-D674 PolarHBondContact O-N 2.97Å | ||
| 673 | V | 36.2 | Very low | 39 | Very low | 119 Ų | 119 | 102.4 Ų | 102.4 | 72% | 0.721 | 55% | 0.547 | S | S | * | . | trans | -83.1 | 85.8 | 162.8 | -174.8 | 0 | 0 | 0 | 0 | 106.8 | D675 | V673-D675 PolarHBondContact O-N 3.33Š| ||
| 674 | D | 32.7 | Very low | 37.6 | Very low | 135 Ų | 135 | 107.6 Ų | 107.6 | 72% | 0.722 | 58% | 0.575 | S | S | * | * | trans | -79.6 | 106 | 164.5 | -79.6 | -36.5 | 0 | 0 | 0 | 107.7 | P672 | P672-D674 VanDerWaalsContact C-N 3.33Å; P672-D674 PolarHBondContact O-N 2.97Å | ||
| 675 | D | 30.3 | Very low | 36.5 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 78% | 0.775 | 60% | 0.601 | S | S | * | * | trans | -60.9 | 174.7 | 166.8 | -99.9 | -54.2 | 0 | 0 | 0 | 112.5 | V673 | V673-D675 PolarHBondContact O-N 3.33Š| ||
| 676 | D | 30.8 | Very low | 35.6 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | trans | 70.8 | 99.8 | 169.8 | -96.4 | -36.1 | 0 | 0 | 0 | 118 | ||||
| 677 | N | 27.9 | Very low | 34.5 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | 48 | 110.9 | 119.4 | -75.7 | -69.8 | 0 | 0 | 0 | 119.1 | |||||
| 678 | N | 27.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 66% | 0.664 | S | S | * | * | 172.5 | 128.9 | 108.4 | -170.2 | 1.2 | 0 | 0 | 0 | 114.3 | |||||
| 679 | V | 25.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | trans | -68.2 | 132.4 | -175.6 | 173.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 680 | S | 25.4 | Very low | 30.8 | Very low | 72 Ų | 72 | 132 Ų | 132 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | trans | 73.2 | 147.6 | 154.6 | -80.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 681 | N | 26.3 | Very low | 29.9 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | trans | 75.9 | 135.4 | 169.8 | -34.8 | -83.1 | 0 | 0 | 0 | 113.5 | R713 | N681-R713 PolarHBondContact OD1-NH1 3.05Š| ||
| 682 | Q | 31.6 | Very low | 29.1 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | cis | -131.5 | 137.5 | 25.1 | -67.9 | -179.9 | 54.6 | 0 | 0 | 111.8 | ||||
| 683 | M | 26.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | cis | 79.8 | 108.3 | 48.6 | -158.2 | -151.8 | -173.8 | 0 | 0 | 113.7 | ||||
| 684 | N | 27.5 | Very low | 28.3 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | 74.6 | 135.7 | 171.4 | -40.2 | -64.7 | 0 | 0 | 0 | 115.8 | ||||
| 685 | R | 35.3 | Very low | 28 | Very low | 241 Ų | 241 | 138.5 Ų | 138.5 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | cis | -136.2 | 94.3 | 16.9 | -69.8 | 177 | 177.8 | 156.8 | 3.4 | 113.2 | R687 | R685-R687 PolarHBondContact O-N 3.37Å; R685-R687 VanDerWaalsContact O-N 3.14Å | ||
| 686 | K | 34.9 | Very low | 27.7 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | trans | -61.9 | 110.4 | 152.1 | -109.5 | -175.6 | 178.1 | 178 | 0 | 108.5 | P543 | P543-K686 PolarHBondContact O-NZ 3.34Š| ||
| 687 | R | 25.9 | Very low | 27.4 | Very low | 225 Ų | 225 | 136.7 Ų | 136.7 | 85% | 0.849 | 70% | 0.7 | S | S | * | * | trans | 167.6 | 126.2 | 144.6 | -95.5 | 156.8 | -167.6 | 162.3 | 7.3 | 112.4 | R685 | R685-R687 PolarHBondContact O-N 3.37Å; R685-R687 VanDerWaalsContact O-N 3.14Å | ||
| 688 | T | 25.4 | Very low | 27.3 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 71% | 0.712 | 69% | 0.689 | S | S | * | * | trans | 48 | 129.9 | 142 | 63.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 689 | L | 24.9 | Very low | 27.3 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | -177.5 | 165.8 | 76.9 | -78.8 | 167 | 0 | 0 | 0 | 106.4 | |||||
| 690 | K | 24 | Very low | 27.3 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | cis | 176.5 | 177.2 | -19.2 | -176 | 168.8 | 174.3 | -174.8 | 0 | 105.2 | L549 | L549-K690 WeakPolarHBondContact O-CE 3.09Š| ||
| 691 | S | 29.9 | Very low | 27.6 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | 69.6 | 127.1 | -175.1 | 69 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 692 | E | 24.4 | Very low | 28.1 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 36% | 0.355 | 68% | 0.675 | S | S | . | * | cis | 88.1 | 120.4 | 35.8 | -61.6 | 157.7 | -145.5 | 0 | 0 | 112.8 | R550 K551 | R550-E692 VanDerWaalsContact C-OE2 3.24Å; R550-E692 WeakPolarHBondContact CA-OE1 3.47Å; R550-E692 PolarHBondContact N-OE1 2.58Å; K551-E692 WeakPolarHBondContact CA-OE2 3.34Å; K551-E692 PolarHBondContact N-OE1 3.29Å; K551-E692 PolarHBondContact N-OE2 2.83Å; K551-E692 VanDerWaalsContact O-OE2 3.09Å | ||
| 693 | S | 27.3 | Very low | 28.4 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | cis | 89.2 | 113.9 | 23.9 | 93.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 694 | R | 30.3 | Very low | 28.9 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 56% | 0.555 | 67% | 0.669 | S | S | * | * | trans | 176.3 | 149.8 | 157.1 | -98.1 | 143.6 | -169.6 | -67.8 | -26.3 | 108.8 | ||||
| 695 | T | 24.9 | Very low | 29.1 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | cis | -139.4 | 142.9 | 33.7 | 50.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 696 | S | 25.5 | Very low | 29 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | 60.6 | 151.1 | 152.4 | -53.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 697 | I | 23.9 | Very low | 28.9 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -73.1 | 120.7 | -5 | -67.3 | 175.3 | 0 | 0 | 0 | 107.6 | ||
| 698 | E | 24.8 | Very low | 29.3 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | 59.9 | 131.9 | 83.9 | -70.1 | -148.9 | 103.2 | 0 | 0 | 112.8 | |||||
| 699 | R | 28.3 | Very low | 29.7 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 73% | 0.725 | 66% | 0.658 | S | S | * | * | cis | -132.7 | 163.8 | -3.9 | -83.8 | 135.2 | -170.6 | -174 | 13.3 | 107.7 | ||||
| 700 | S | 25.5 | Very low | 30.2 | Very low | 74 Ų | 74 | 120.2 Ų | 120.2 | 52% | 0.517 | 65% | 0.654 | S | S | . | * | 30.9 | 132.5 | 88.5 | -44.1 | 0 | 0 | 0 | 0 | 114 | K551 | K551-S700 PolarHBondContact NZ-OG 3.12Š| |||
| 701 | G | 33 | Very low | 30.7 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 61% | 0.608 | 67% | 0.669 | S | S | * | * | cis | -78.5 | -178.8 | 7.6 | 0 | 0 | 0 | 0 | 0 | 117 | R550 | R550-G701 PolarHBondContact NH2-O 3.27Š| ||
| 702 | D | 35.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 128 Ų | 128 | 56% | 0.556 | 68% | 0.676 | S | S | * | * | cis | 89.5 | 129.3 | 13.5 | -57.6 | -67.7 | 0 | 0 | 0 | 112.3 | R550 | R550-D702 IonicContact CZ-OD1 3.76Å; R550-D702 IonicContact CZ-OD2 3.84Å; R550-D702 VanDerWaalsContact NH1-CG 3.27Å; R550-D702 IonicContact NH1-OD1 2.67Å; R550-D702 PolarHBondContact NH1-OD1 2.84Å; R550-D702 IonicContact NH1-OD2 2.78Å; R550-D702 PolarHBondContact NH1-OD2 2.88Å; R550-D702 VanDerWaalsContact NH1-OD2 3.16Å; R550-D702 IonicContact NH2-OD1 2.72Å; R550-D702 IonicContact NH2-OD2 2.66Å; R550-D702 PolarHBondContact NH2-OD2 2.96Å | ||
| 703 | I | 37.6 | Very low | 31.1 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | cis | -155.6 | 177.5 | 13.3 | -141.5 | -178.9 | 0 | 0 | 0 | 109.4 | ||||
| 704 | Q | 37.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | cis | -148.7 | -48.1 | -6.6 | -162.4 | -176.5 | 104.3 | 0 | 0 | 116 | ||||
| 705 | K | 33.1 | Very low | 31.5 | Very low | 142 Ų | 142 | 138 Ų | 138 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | trans | -130.6 | 171.4 | -148.6 | -95.1 | -169.8 | -179.1 | -70.9 | 0 | 114.7 | ||||
| 706 | E | 31.4 | Very low | 31.8 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | cis | -162.1 | -157.6 | -19.9 | -163.6 | 129 | -86.1 | 0 | 0 | 110.9 | ||||
| 707 | S | 34.1 | Very low | 32.1 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -162.3 | 174.8 | 174 | 70.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 708 | G | 34.5 | Very low | 32.5 | Very low | 57 Ų | 57 | 142 Ų | 142 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | cis | 165.5 | -151.7 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 709 | K | 34.2 | Very low | 32.9 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 90% | 0.9 | 71% | 0.709 | S | S | * | * | trans | 98.7 | 151.9 | 174.6 | -55.3 | 160 | -175.5 | 174.4 | 0 | 116.2 | ||||
| 710 | S | 35.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | cis | -178.7 | 147.5 | -25.8 | -91.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 711 | K | 33.1 | Very low | 33.3 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | trans | 72.2 | 155.6 | 164.4 | -61 | 170.7 | 177.2 | -178.4 | 0 | 116.7 | ||||
| 712 | K | 31.9 | Very low | 33.2 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | cis | -149.3 | 177.3 | 21.3 | -178.7 | -109.7 | -177 | -169.4 | 0 | 112.5 | ||||
| 713 | R | 32 | Very low | 32.9 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | trans | -144.9 | 173.9 | 170.4 | -162.4 | -166.8 | 179.1 | -153.8 | 2.7 | 110.8 | N681 | N681-R713 PolarHBondContact OD1-NH1 3.05Š| ||
| 714 | R | 30.1 | Very low | 32.5 | Very low | 205 Ų | 205 | 141 Ų | 141 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | trans | 120.6 | 136.3 | 139.1 | -149.8 | -170.8 | -165.4 | 179.2 | 5.5 | 119.5 | ||||
| 715 | M | 35.2 | Very low | 32.4 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | 112 | 147.8 | 150.2 | -68.9 | -178.3 | 57.4 | 0 | 0 | 118.7 | ||||
| 716 | L | 31.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | cis | -180 | 125.2 | -28 | -174.6 | 64.9 | 0 | 0 | 0 | 113.4 | ||||
| 717 | L | 31.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 61.8 | 163.2 | 157.1 | -68.2 | 172.2 | 0 | 0 | 0 | 119.7 | ||||
| 718 | K | 31.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | cis | -173.2 | 151.2 | -18 | 168.5 | 177.3 | -177 | -174.7 | 0 | 111.8 | ||||
| 719 | G | 33.1 | Very low | 33.6 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | 95.6 | 160.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 720 | D | 33.9 | Very low | 34.1 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | cis | -170.9 | 152.6 | -1 | -125.3 | 42.5 | 0 | 0 | 0 | 112.3 | ||||
| 721 | Q | 29.7 | Very low | 34.8 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 71% | 0.707 | S | S | * | * | trans | 78.9 | 128.4 | 143.8 | -83.6 | 175.7 | 81.8 | 0 | 0 | 126.3 | ||||
| 722 | I | 29.3 | Very low | 35.8 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 71% | 0.708 | 68% | 0.682 | S | S | * | * | 120.4 | 122.9 | 123.4 | -83.9 | 164.6 | 0 | 0 | 0 | 122 | |||||
| 723 | S | 29.5 | Very low | 36.9 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | trans | 68.4 | 155.8 | 154.8 | -75.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 724 | A | 30.8 | Very low | 38.2 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | cis | -179.5 | 161.7 | -27 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 725 | E | 33.6 | Very low | 39.3 | Very low | 173 Ų | 173 | 115.6 Ų | 115.6 | 81% | 0.808 | 64% | 0.638 | S | S | * | * | trans | 71.1 | 154.6 | 167.8 | -49.2 | -161.3 | 94.2 | 0 | 0 | 117.2 | ||||
| 726 | N | 31.1 | Very low | 40.3 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | cis | -174.1 | 114.2 | -35.3 | -95.8 | -32 | 0 | 0 | 0 | 107.8 | ||||
| 727 | D | 38.8 | Very low | 41.1 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 60% | 0.599 | 61% | 0.61 | S | S | * | * | trans | -161.5 | 112 | 150.1 | -130.4 | -33.6 | 0 | 0 | 0 | 114.2 | E729 A730 | D727-E729 VanDerWaalsContact C-N 3.26Å; D727-E729 PolarHBondContact O-N 3.18Å; D727-A730 HydrophobicContact CB-CB 4.26Å; D727-A730 PolarHBondContact O-N 2.77Å | ||
| 728 | P | 47.6 | Very low | 41.6 | Very low | 99 Ų | 99 | 107 Ų | 107 | 64% | 0.643 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.8 | -19.6 | 178.2 | 31.4 | -36.2 | 0 | 0 | 0 | 112.8 | A730 E731 D732 | P728-A730 VanDerWaalsContact C-N 3.3Å; P728-E731 PolarHBondContact O-N 3.3Å; P728-D732 PolarHBondContact O-N 3.35Å |
| 729 | E | 42 | Very low | 42.1 | Very low | 142 Ų | 142 | 100.6 Ų | 100.6 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.2 | -25.5 | 178.7 | -161.5 | 152.4 | -143.4 | 0 | 0 | 111.3 | D727 A733 | D727-E729 VanDerWaalsContact C-N 3.26Å; D727-E729 PolarHBondContact O-N 3.18Å; E729-A733 WeakPolarHBondContact O-CB 3.49Å; E729-A733 PolarHBondContact O-N 3.14Å |
| 730 | A | 45.5 | Very low | 42.3 | Very low | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.8 | -37.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D727 P728 A733 L734 | D727-A730 HydrophobicContact CB-CB 4.26Å; D727-A730 PolarHBondContact O-N 2.77Å; P728-A730 VanDerWaalsContact C-N 3.3Å; A730-A733 PolarHBondContact O-N 3.35Å; A730-L734 WeakPolarHBondContact O-CB 3.47Å; A730-L734 PolarHBondContact O-N 2.92Å |
| 731 | E | 49.4 | Very low | 42.7 | Very low | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -45.4 | 173.5 | -171.5 | 176.1 | -145.8 | 0 | 0 | 110.9 | P728 A733 L734 I735 | P728-E731 PolarHBondContact O-N 3.3Å; E731-A733 VanDerWaalsContact C-N 3.34Å; E731-A733 PolarHBondContact O-N 3.41Å; E731-L734 PolarHBondContact O-N 3.11Å; E731-I735 HydrophobicContact CG-CD1 4.2Å; E731-I735 WeakPolarHBondContact O-CB 3.3Å; E731-I735 VanDerWaalsContact O-CG1 3.28Å; E731-I735 WeakPolarHBondContact O-CG1 3.25Å; E731-I735 PolarHBondContact O-N 2.79Å |
| 732 | D | 53.3 | Low | 43.4 | Very low | 76 Ų | 76 | 100.2 Ų | 100.2 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.8 | -32 | 174.9 | -169.7 | 75.5 | 0 | 0 | 0 | 112.6 | P728 R736 | P728-D732 PolarHBondContact O-N 3.35Å; D732-R736 WeakPolarHBondContact O-CB 3.39Å; D732-R736 WeakPolarHBondContact O-CG 3.29Å; D732-R736 PolarHBondContact O-N 2.82Å; D732-R736 IonicContact OD2-CZ 2.88Å; D732-R736 IonicContact OD2-NE 3.65Å; D732-R736 PolarHBondContact OD2-NE 2.91Å; D732-R736 IonicContact OD2-NH2 3.67Å; D732-R736 PolarHBondContact OD2-NH2 2.94Å |
| 733 | A | 55 | Low | 43.7 | Very low | 43 Ų | 43 | 99.7 Ų | 99.7 | 36% | 0.355 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E729 A730 E731 R736 A737 | E729-A733 WeakPolarHBondContact O-CB 3.49Å; E729-A733 PolarHBondContact O-N 3.14Å; A730-A733 PolarHBondContact O-N 3.35Å; E731-A733 VanDerWaalsContact C-N 3.34Å; E731-A733 PolarHBondContact O-N 3.41Å; A733-R736 PolarHBondContact O-N 3.11Å; A733-A737 VanDerWaalsContact O-CB 3.25Å; A733-A737 WeakPolarHBondContact O-CB 3.39Å; A733-A737 PolarHBondContact O-N 3.23Å |
| 734 | L | 60 | Low | 44.1 | Very low | 93 Ų | 93 | 96.8 Ų | 96.8 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 174.9 | -178.2 | 60.1 | 0 | 0 | 0 | 111.5 | A730 E731 A737 N738 | A730-L734 WeakPolarHBondContact O-CB 3.47Å; A730-L734 PolarHBondContact O-N 2.92Å; E731-L734 PolarHBondContact O-N 3.11Å; L734-A737 PolarHBondContact O-N 2.8Å; L734-N738 VanDerWaalsContact O-CB 3.25Å; L734-N738 WeakPolarHBondContact O-CB 3.41Å; L734-N738 VanDerWaalsContact O-CG 3.23Å; L734-N738 PolarHBondContact O-N 2.92Å; L734-N738 PolarHBondContact O-ND2 3.34Å |
| 735 | I | 53.1 | Low | 44.2 | Very low | 95 Ų | 95 | 96.4 Ų | 96.4 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 170.6 | -69.9 | 164.7 | 0 | 0 | 0 | 109.9 | E731 A737 N738 A739 | E731-I735 HydrophobicContact CG-CD1 4.2Å; E731-I735 WeakPolarHBondContact O-CB 3.3Å; E731-I735 VanDerWaalsContact O-CG1 3.28Å; E731-I735 WeakPolarHBondContact O-CG1 3.25Å; E731-I735 PolarHBondContact O-N 2.79Å; I735-A737 PolarHBondContact O-N 3.45Å; I735-N738 PolarHBondContact O-N 3.25Å; I735-A739 VanDerWaalsContact O-CB 3.29Å; I735-A739 WeakPolarHBondContact O-CB 3.47Å; I735-A739 PolarHBondContact O-N 3.1Å |
| 736 | R | 57 | Low | 44 | Very low | 142 Ų | 142 | 91.4 Ų | 91.4 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 173.6 | -82.3 | -176.5 | -95.5 | 151 | -6.6 | 112.5 | D732 A733 A739 A740 | D732-R736 WeakPolarHBondContact O-CB 3.39Å; D732-R736 WeakPolarHBondContact O-CG 3.29Å; D732-R736 PolarHBondContact O-N 2.82Å; D732-R736 IonicContact OD2-CZ 2.88Å; D732-R736 IonicContact OD2-NE 3.65Å; D732-R736 PolarHBondContact OD2-NE 2.91Å; D732-R736 IonicContact OD2-NH2 3.67Å; D732-R736 PolarHBondContact OD2-NH2 2.94Å; A733-R736 PolarHBondContact O-N 3.11Å; R736-A739 PolarHBondContact O-N 3.44Å; R736-A740 VanDerWaalsContact O-CB 3.24Å; R736-A740 WeakPolarHBondContact O-CB 3.41Å; R736-A740 PolarHBondContact O-N 2.78Å |
| 737 | A | 47.4 | Very low | 44 | Very low | 38 Ų | 38 | 88.8 Ų | 88.8 | 31% | 0.314 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.8 | -34.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A733 L734 I735 R741 | A733-A737 VanDerWaalsContact O-CB 3.25Å; A733-A737 WeakPolarHBondContact O-CB 3.39Å; A733-A737 PolarHBondContact O-N 3.23Å; L734-A737 PolarHBondContact O-N 2.8Å; I735-A737 PolarHBondContact O-N 3.45Å; A737-R741 VanDerWaalsContact O-CB 3.28Å; A737-R741 WeakPolarHBondContact O-CB 3.47Å; A737-R741 VanDerWaalsContact O-CG 3.23Å; A737-R741 WeakPolarHBondContact O-CG 3.48Å; A737-R741 PolarHBondContact O-N 3.42Å; A737-R741 PolarHBondContact O-NE 3.35Å |
| 738 | N | 41.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 88 Ų | 88 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -79.5 | -28.1 | 175.9 | -71.1 | -21.5 | 0 | 0 | 0 | 112.7 | L734 I735 R741 K742 | L734-N738 VanDerWaalsContact O-CB 3.25Å; L734-N738 WeakPolarHBondContact O-CB 3.41Å; L734-N738 VanDerWaalsContact O-CG 3.23Å; L734-N738 PolarHBondContact O-N 2.92Å; L734-N738 PolarHBondContact O-ND2 3.34Å; I735-N738 PolarHBondContact O-N 3.25Å; N738-R741 PolarHBondContact OD1-NE 3.03Å; N738-R741 PolarHBondContact OD1-NH2 3.32Å; N738-K742 WeakPolarHBondContact O-CG 3.25Å; N738-K742 PolarHBondContact O-N 3.33Å |
| 739 | A | 41.5 | Very low | 42.9 | Very low | 42 Ų | 42 | 85.9 Ų | 85.9 | 35% | 0.347 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.5 | -49.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I735 R736 R741 K742 M743 | I735-A739 VanDerWaalsContact O-CB 3.29Å; I735-A739 WeakPolarHBondContact O-CB 3.47Å; I735-A739 PolarHBondContact O-N 3.1Å; R736-A739 PolarHBondContact O-N 3.44Å; A739-R741 PolarHBondContact O-N 3.15Å; A739-K742 WeakPolarHBondContact O-CA 3.36Å; A739-K742 WeakPolarHBondContact O-CB 3.41Å; A739-K742 PolarHBondContact O-N 2.94Å; A739-M743 WeakPolarHBondContact O-CG 3.39Å; A739-M743 PolarHBondContact O-N 3.41Å; A739-M743 VanDerWaalsContact O-N 3.1Å |
| 740 | A | 38.7 | Very low | 42.5 | Very low | 42 Ų | 42 | 83.7 Ų | 83.7 | 35% | 0.347 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55.8 | -53.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R736 K742 M743 H744 | R736-A740 VanDerWaalsContact O-CB 3.24Å; R736-A740 WeakPolarHBondContact O-CB 3.41Å; R736-A740 PolarHBondContact O-N 2.78Å; A740-K742 PolarHBondContact O-N 3.4Å; A740-M743 WeakPolarHBondContact O-CB 3.28Å; A740-M743 PolarHBondContact O-N 2.78Å; A740-H744 PolarHBondContact O-CE1 2.99Å; A740-H744 VanDerWaalsContact O-CE1 3.22Å; A740-H744 PolarHBondContact O-ND1 2.85Å |
| 741 | R | 40.9 | Very low | 41.8 | Very low | 161 Ų | 161 | 84.5 Ų | 84.5 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.6 | -20.8 | 176.6 | -73.3 | -174.8 | -74.1 | -152 | 3.4 | 113.9 | A737 N738 A739 | A737-R741 VanDerWaalsContact O-CB 3.28Å; A737-R741 WeakPolarHBondContact O-CB 3.47Å; A737-R741 VanDerWaalsContact O-CG 3.23Å; A737-R741 WeakPolarHBondContact O-CG 3.48Å; A737-R741 PolarHBondContact O-N 3.42Å; A737-R741 PolarHBondContact O-NE 3.35Å; N738-R741 PolarHBondContact OD1-NE 3.03Å; N738-R741 PolarHBondContact OD1-NH2 3.32Å; A739-R741 PolarHBondContact O-N 3.15Å |
| 742 | K | 44.8 | Very low | 41 | Very low | 123 Ų | 123 | 81.7 Ų | 81.7 | 54% | 0.535 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -85 | -20.8 | 170.1 | -78 | 178.8 | 178.8 | 174.4 | 0 | 114.2 | L607 N738 A739 A740 | L607-K742 HydrophobicContact CD2-CD 4.18Å; N738-K742 WeakPolarHBondContact O-CG 3.25Å; N738-K742 PolarHBondContact O-N 3.33Å; A739-K742 WeakPolarHBondContact O-CA 3.36Å; A739-K742 WeakPolarHBondContact O-CB 3.41Å; A739-K742 PolarHBondContact O-N 2.94Å; A740-K742 PolarHBondContact O-N 3.4Å |
| 743 | M | 35.1 | Very low | 40 | Very low | 128 Ų | 128 | 81.2 Ų | 81.2 | 63% | 0.631 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -76 | -29 | 178.9 | -56.6 | -138.6 | 73.2 | 0 | 0 | 113.1 | A739 A740 S745 | A739-M743 WeakPolarHBondContact O-CG 3.39Å; A739-M743 PolarHBondContact O-N 3.41Å; A739-M743 VanDerWaalsContact O-N 3.1Å; A740-M743 WeakPolarHBondContact O-CB 3.28Å; A740-M743 PolarHBondContact O-N 2.78Å; M743-S745 PolarHBondContact O-N 3.36Å; M743-S745 VanDerWaalsContact O-N 3.13Å |
| 744 | H | 39 | Very low | 38.7 | Very low | 53 Ų | 53 | 84.4 Ų | 84.4 | 25% | 0.245 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -68.4 | -16.1 | -168.2 | -60 | 12 | 0 | 0 | 0 | 115.1 | A740 N1040 D1041 I1042 | A740-H744 PolarHBondContact O-CE1 2.99Å; A740-H744 VanDerWaalsContact O-CE1 3.22Å; A740-H744 PolarHBondContact O-ND1 2.85Å; H744-N1040 CarbonylContact O-C 3.49Å; H744-D1041 HydrophobicContact CB-CB 4.24Å; H744-D1041 PolarHBondContact CD2-O 2.78Å; H744-D1041 VanDerWaalsContact CE1-CB 3.45Å; H744-D1041 WeakPolarHBondContact CE1-CB 3.4Å; H744-D1041 WeakPolarHBondContact ND1-CB 3.23Å; H744-I1042 PolarHBondContact CE1-O 3.42Å |
| 745 | S | 33.1 | Very low | 37.2 | Very low | 70 Ų | 70 | 86.3 Ų | 86.3 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -87.4 | 131.6 | -178.1 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | M743 | M743-S745 PolarHBondContact O-N 3.36Å; M743-S745 VanDerWaalsContact O-N 3.13Å |
| 746 | S | 28.5 | Very low | 36 | Very low | 69 Ų | 69 | 83.4 Ų | 83.4 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -71.7 | 137.6 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | K1038 R1039 | S746-K1038 WeakPolarHBondContact CA-O 3.49Å; S746-K1038 WeakPolarHBondContact CB-O 3.22Å; S746-R1039 VanDerWaalsContact OG-CA 3.28Å; S746-R1039 WeakPolarHBondContact OG-CA 3.48Å; S746-R1039 PolarHBondContact OG-N 3.23Å |
| 747 | Q | 30.9 | Very low | 34.5 | Very low | 76 Ų | 76 | 85.4 Ų | 85.4 | 36% | 0.355 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 69.2 | 57.3 | 171.5 | -156.8 | 167.3 | -3.3 | 0 | 0 | 116.4 | K1038 | Q747-K1038 PolarHBondContact N-O 2.72Š|
| 748 | T | 30.9 | Very low | 33.4 | Very low | 95 Ų | 95 | 90.5 Ų | 90.5 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | trans | -76.1 | 160 | 168.8 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | N750 | T748-N750 PolarHBondContact O-N 3.16Š| ||
| 749 | M | 33 | Very low | 32.9 | Very low | 54 Ų | 54 | 93.9 Ų | 93.9 | 27% | 0.266 | 52% | 0.515 | S | S | . | . | trans | -78 | 109.6 | -171.8 | -165.1 | -164.4 | -48.8 | 0 | 0 | 112.1 | Q646 L647 L666 I751 | Q646-M749 HydrophobicContact CB-SD 4.03Å; L647-M749 HydrophobicContact CD2-CE 4.02Å; L666-M749 HydrophobicContact CD2-CE 4.1Å; M749-I751 PolarHBondContact O-N 3.38Å | ||
| 750 | N | 33 | Very low | 32.2 | Very low | 97 Ų | 97 | 98.2 Ų | 98.2 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | trans | -80.4 | 112 | 178.6 | -168.2 | -32.5 | 0 | 0 | 0 | 111.4 | T748 S752 | T748-N750 PolarHBondContact O-N 3.16Å; N750-S752 VanDerWaalsContact C-N 3.34Å; N750-S752 WeakPolarHBondContact OD1-CB 3.44Å; N750-S752 PolarHBondContact OD1-N 3.43Å; N750-S752 PolarHBondContact OD1-OG 3.26Å | ||
| 751 | I | 31.9 | Very low | 31.5 | Very low | 75 Ų | 75 | 102.6 Ų | 102.6 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -15.3 | -174.5 | -67.2 | 170.1 | 0 | 0 | 0 | 112.4 | L604 M749 T753 | L604-I751 HydrophobicContact CD2-CD1 3.76Å; M749-I751 PolarHBondContact O-N 3.38Å; I751-T753 VanDerWaalsContact C-N 3.29Å; I751-T753 PolarHBondContact O-N 3Å |
| 752 | S | 32 | Very low | 30.8 | Very low | 73 Ų | 73 | 101.5 Ų | 101.5 | 51% | 0.51 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -2.5 | -166.7 | -55 | 0 | 0 | 0 | 0 | 115.8 | N750 L754 | N750-S752 VanDerWaalsContact C-N 3.34Å; N750-S752 WeakPolarHBondContact OD1-CB 3.44Å; N750-S752 PolarHBondContact OD1-N 3.43Å; N750-S752 PolarHBondContact OD1-OG 3.26Å; S752-L754 PolarHBondContact O-N 3.11Å |
| 753 | T | 32.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 99.5 Ų | 99.5 | 41% | 0.411 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 40 | -176.3 | 63 | 0 | 0 | 0 | 0 | 114.5 | I751 Q1848 | I751-T753 VanDerWaalsContact C-N 3.29Å; I751-T753 PolarHBondContact O-N 3Å; T753-Q1848 WeakPolarHBondContact CA-O 3.49Å |
| 754 | L | 27 | Very low | 29.3 | Very low | 110 Ų | 110 | 99.1 Ų | 99.1 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.3 | 7 | -175.2 | -152.3 | 66.3 | 0 | 0 | 0 | 115.2 | M642 S752 | M642-L754 HydrophobicContact CE-CD1 3.39Å; M642-L754 HydrophobicContact CE-CD2 3.83Å; M642-L754 HydrophobicContact CE-CG 4.29Å; M642-L754 HydrophobicContact CG-CD2 4.35Å; M642-L754 HydrophobicContact SD-CD1 4.29Å; M642-L754 HydrophobicContact SD-CD2 4.37Å; S752-L754 PolarHBondContact O-N 3.11Å |
| 755 | V | 29.2 | Very low | 28.5 | Very low | 132 Ų | 132 | 102.6 Ų | 102.6 | 80% | 0.8 | 58% | 0.584 | S | S | * | * | trans | -136.5 | 88.4 | 175.2 | -172 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 756 | G | 28.4 | Very low | 28.2 | Very low | 35 Ų | 35 | 103.2 Ų | 103.2 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | trans | -148.5 | 33.6 | -169 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 757 | Y | 24.7 | Very low | 28.1 | Very low | 183 Ų | 183 | 101.9 Ų | 101.9 | 72% | 0.718 | 57% | 0.57 | S | S | * | * | trans | -113 | 126.2 | 173.1 | -98.1 | -88.4 | 0 | 0 | 0 | 111.4 | L1846 | Y757-L1846 HydrophobicContact CD2-CD2 3.96Å; Y757-L1846 HydrophobicContact CE1-CD2 4.25Å; Y757-L1846 HydrophobicContact CE2-CD2 3.39Å | ||
| 758 | N | 24.1 | Very low | 28.1 | Very low | 146 Ų | 146 | 105.5 Ų | 105.5 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | trans | 81 | 139.1 | 169.1 | -59.9 | -31.8 | 0 | 0 | 0 | 120.7 | ||||
| 759 | T | 31.6 | Very low | 27.8 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 86% | 0.859 | 59% | 0.587 | S | S | * | * | trans | 100.3 | 155.3 | 155.2 | -31 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 760 | Q | 26.4 | Very low | 27.7 | Very low | 134 Ų | 134 | 110.2 Ų | 110.2 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | trans | -131.3 | 151.4 | -153 | -64.7 | 170 | -99 | 0 | 0 | 114.6 | ||||
| 761 | Q | 23.9 | Very low | 27.4 | Very low | 134 Ų | 134 | 111.7 Ų | 111.7 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | trans | 71.2 | 163.5 | 142.3 | -76.4 | 171.1 | -8.1 | 0 | 0 | 121.2 | ||||
| 762 | V | 26 | Very low | 27.2 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | trans | 72.8 | 122.3 | 177.5 | -164 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 763 | A | 24.5 | Very low | 27.3 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | cis | 124 | 147.5 | -5.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 764 | T | 24.2 | Very low | 27.5 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | trans | 74.9 | 130.5 | 162.8 | 41.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 765 | N | 23.5 | Very low | 27.6 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | trans | 74.4 | 119.8 | 145.3 | -66.4 | 37.9 | 0 | 0 | 0 | 118.9 | ||||
| 766 | E | 25.4 | Very low | 27.6 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 39% | 0.388 | 67% | 0.669 | S | S | . | * | 121.3 | -159.4 | 74.8 | -91.8 | -160.1 | 87.7 | 0 | 0 | 109.1 | S1857 | E766-S1857 PolarHBondContact O-OG 3.48Š| |||
| 767 | S | 26.9 | Very low | 27.6 | Very low | 41 Ų | 41 | 122.8 Ų | 122.8 | 29% | 0.287 | 69% | 0.692 | S | S | . | * | -149.9 | 144.1 | -68.2 | -83.9 | 0 | 0 | 0 | 0 | 109.7 | S1857 L1858 S1859 | S767-S1857 WeakPolarHBondContact CA-O 3.41Å; S767-L1858 WeakPolarHBondContact OG-CA 3.48Å; S767-S1859 PolarHBondContact OG-N 3.04Å | |||
| 768 | I | 30.4 | Very low | 27.7 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 77% | 0.774 | 70% | 0.697 | S | S | * | * | trans | 171.8 | 138.3 | 141.1 | -91.2 | 156.5 | 0 | 0 | 0 | 113.4 | ||||
| 769 | D | 25.1 | Very low | 28 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 52% | 0.519 | 69% | 0.688 | S | S | . | * | trans | -79.4 | 168.7 | -173 | -59.9 | -95.1 | 0 | 0 | 0 | 117 | L1858 | D769-L1858 VanDerWaalsContact OD2-CD2 3.31Å; D769-L1858 WeakPolarHBondContact OD2-CD2 3.43Å | ||
| 770 | L | 31.3 | Very low | 28 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | 166.5 | 116 | 111.1 | -81.2 | 167.5 | 0 | 0 | 0 | 109.6 | |||||
| 771 | N | 25.7 | Very low | 28.2 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | 66 | 108.5 | 66.2 | -159.2 | 12.5 | 0 | 0 | 0 | 111.6 | |||||
| 772 | I | 27.7 | Very low | 28.5 | Very low | 147 Ų | 147 | 115.5 Ų | 115.5 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | -171.3 | 154.9 | 85 | -88.6 | 173.1 | 0 | 0 | 0 | 111.1 | |||||
| 773 | P | 35.6 | Very low | 28.6 | Very low | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -108.8 | -140.1 | -172.4 | 45.1 | -36.5 | 0 | 0 | 0 | 112 | ||||
| 774 | P | 35.5 | Very low | 28.5 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | cis | -126.9 | 159.1 | -31.4 | 39.5 | -24.6 | 0 | 0 | 0 | 114.2 | ||||
| 775 | P | 29.9 | Very low | 29.4 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | -147.7 | -177.5 | 103.7 | 34.8 | -15.5 | 0 | 0 | 0 | 111.7 | |||||
| 776 | G | 28.5 | Very low | 29.8 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | cis | 130 | 127.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 777 | L | 28.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | 76 | 111.5 | 172.9 | -60.1 | 175.7 | 0 | 0 | 0 | 120.3 | ||||
| 778 | T | 27.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | 39.1 | 129.4 | 131.8 | 60.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 779 | G | 29.6 | Very low | 29.6 | Very low | 57 Ų | 57 | 124.3 Ų | 124.3 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | 123.6 | 161.1 | 51 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 780 | L | 31.7 | Very low | 29.6 | Very low | 167 Ų | 167 | 123.1 Ų | 123.1 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | cis | -121 | 134.4 | 5.4 | -67 | 155.2 | 0 | 0 | 0 | 108.2 | ||||
| 781 | V | 29.8 | Very low | 29.5 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | 74.7 | 122.6 | 50.3 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 782 | P | 31.9 | Very low | 29.7 | Very low | 113 Ų | 113 | 117.4 Ų | 117.4 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -99 | -128.1 | 177 | 39 | -30.1 | 0 | 0 | 0 | 109.9 | ||||
| 783 | M | 26.8 | Very low | 29.8 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | 67.2 | 121.1 | 169.9 | -54 | -177 | 72.2 | 0 | 0 | 117.5 | T785 | M783-T785 VanDerWaalsContact CE-OG1 3.26Å; M783-T785 WeakPolarHBondContact CE-OG1 3.3Å | ||
| 784 | F | 23.6 | Very low | 29.6 | Very low | 223 Ų | 223 | 113 Ų | 113 | 98% | 0.978 | 68% | 0.678 | S | S | * | * | -141.2 | 76.6 | 118 | -91.5 | -64.5 | 0 | 0 | 0 | 110.4 | |||||
| 785 | T | 41.5 | Very low | 29.3 | Very low | 90 Ų | 90 | 112.9 Ų | 112.9 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | trans | -71.1 | 173.2 | 135.5 | 53.5 | 0 | 0 | 0 | 0 | 108.5 | M783 | M783-T785 VanDerWaalsContact CE-OG1 3.26Å; M783-T785 WeakPolarHBondContact CE-OG1 3.3Å | ||
| 786 | P | 31.8 | Very low | 29.1 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | cis | -119.4 | -163.1 | -4.9 | 40.9 | -26.4 | 0 | 0 | 0 | 111.2 | T788 | P786-T788 PolarHBondContact O-N 3.12Š| ||
| 787 | S | 26.2 | Very low | 29.1 | Very low | 108 Ų | 108 | 117.4 Ų | 117.4 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -73.6 | 110.9 | 152.8 | -64.6 | 0 | 0 | 0 | 0 | 109 | ||
| 788 | T | 25.6 | Very low | 29.2 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 69% | 0.693 | 67% | 0.674 | S | S | * | * | trans | 37.3 | 123.4 | 138.2 | 52.9 | 0 | 0 | 0 | 0 | 118.4 | P786 | P786-T788 PolarHBondContact O-N 3.12Š| ||
| 789 | L | 27.3 | Very low | 29.6 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | cis | -155.8 | -176.1 | 27.8 | -98.5 | 139.3 | 0 | 0 | 0 | 112.6 | ||||
| 790 | T | 26 | Very low | 29.8 | Very low | 72 Ų | 72 | 118.4 Ų | 118.4 | 44% | 0.442 | 67% | 0.673 | S | S | . | * | trans | -74.7 | 164 | -176.4 | 35.9 | 0 | 0 | 0 | 0 | 115.6 | A1067 A1068 | T790-A1067 VanDerWaalsContact OG1-C 3.22Å; T790-A1067 PolarHBondContact OG1-O 3.35Å; T790-A1067 VanDerWaalsContact OG1-O 3.09Å; T790-A1068 CarbonylContact C-O 3.55Å; T790-A1068 VanDerWaalsContact C-O 3.29Å; T790-A1068 WeakPolarHBondContact CB-O 3.42Å; T790-A1068 VanDerWaalsContact O-O 3.08Å; T790-A1068 PolarHBondContact OG1-N 3.28Å; T790-A1068 PolarHBondContact OG1-O 2.88Å | ||
| 791 | S | 28.1 | Very low | 29.7 | Very low | 75 Ų | 75 | 115.8 Ų | 115.8 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | cis | -176.2 | -174.2 | -21.4 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | N1069 C1070 | S791-N1069 CarbonylContact O-C 3.48Å; S791-N1069 VanDerWaalsContact O-O 3.09Å; S791-C1070 PolarHBondContact O-N 3.12Å | ||
| 792 | V | 30.7 | Very low | 29.7 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | trans | 42.5 | 152.6 | 156.8 | -99.8 | 0 | 0 | 0 | 0 | 122.5 | C1070 T1071 | V792-C1070 HydrophobicContact CB-CB 3.97Å; V792-C1070 HydrophobicContact CG2-CB 3.43Å; V792-C1070 VanDerWaalsContact CG2-CB 3.43Å; V792-C1070 VanDerWaalsContact CG2-SG 3.53Å; V792-C1070 WeakPolarHBondContact O-CA 3.48Å; V792-C1070 PolarHBondContact O-N 2.82Å; V792-T1071 PolarHBondContact O-N 3.32Å | ||
| 793 | Q | 30.6 | Very low | 29.6 | Very low | 77 Ų | 77 | 116 Ų | 116 | 36% | 0.36 | 67% | 0.665 | S | S | . | * | -148.1 | 176.5 | 55.9 | -117.4 | 179.7 | 20.3 | 0 | 0 | 112.5 | C1070 D1072 | Q793-C1070 VanDerWaalsContact CD-C 3.49Å; Q793-C1070 HydrophobicContact CG-CB 4.21Å; Q793-C1070 WeakPolarHBondContact CG-SG 3.49Å; Q793-C1070 PolarHBondContact NE2-O 3.43Å; Q793-C1070 VanDerWaalsContact NE2-O 3.1Å; Q793-C1070 PolarHBondContact NE2-SG 2.85Å; Q793-D1072 PolarHBondContact OE1-OD1 2.88Å; Q793-D1072 PolarHBondContact OE1-OD2 3.36Å | |||
| 794 | N | 30.6 | Very low | 29.6 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 44% | 0.439 | 67% | 0.67 | S | S | . | * | cis | -156.5 | 177.3 | 7.4 | -144.6 | -15.1 | 0 | 0 | 0 | 113.4 | D1072 | N794-D1072 WeakPolarHBondContact CB-OD1 3.3Å; N794-D1072 VanDerWaalsContact ND2-CG 3.27Å; N794-D1072 PolarHBondContact ND2-OD1 2.67Å; N794-D1072 PolarHBondContact ND2-OD2 3.15Å | ||
| 795 | T | 29.5 | Very low | 29.7 | Very low | 107 Ų | 107 | 112.7 Ų | 112.7 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | trans | 62 | 136.3 | 156.7 | 42.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 796 | M | 25 | Very low | 29 | Very low | 171 Ų | 171 | 116 Ų | 116 | 84% | 0.842 | 67% | 0.668 | S | S | * | * | cis | -161.8 | 175 | -12.1 | -138 | -179.4 | -163.2 | 0 | 0 | 112.1 | ||||
| 797 | V | 29.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 76% | 0.764 | 66% | 0.661 | S | S | * | * | trans | 83.2 | 94.9 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 798 | M | 31.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 116.2 Ų | 116.2 | 79% | 0.793 | 67% | 0.666 | S | S | * | * | 83.5 | 148.3 | 64.5 | -74.4 | -95.3 | 89.3 | 0 | 0 | 114 | |||||
| 799 | P | 34.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 116.8 Ų | 116.8 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | cis | -132.9 | -130.5 | -13.9 | 43.4 | -22 | 0 | 0 | 0 | 111.9 | ||||
| 800 | P | 34.4 | Very low | 28.9 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | trans | -133.5 | -162.1 | -144.6 | 34.8 | -6.4 | 0 | 0 | 0 | 115.6 | ||||
| 801 | T | 29.7 | Very low | 28.8 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | trans | 72.7 | 84.4 | 145.4 | -54.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 802 | V | 29.7 | Very low | 29 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | 55.6 | -173.7 | 149.2 | -47.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 803 | P | 29.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 62% | 0.617 | 67% | 0.671 | S | S | * | * | cis | -122.1 | -173.6 | -35.6 | 36.5 | -19.4 | 0 | 0 | 0 | 112.7 | ||||
| 804 | N | 27.5 | Very low | 28.6 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | 68.2 | 159.8 | 145.9 | -71.4 | -9.3 | 0 | 0 | 0 | 122.6 | ||||
| 805 | M | 25.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 124 Ų | 124 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | trans | 2.1 | 136.1 | 138.2 | -45.7 | 165 | 69.7 | 0 | 0 | 115.8 | ||||
| 806 | M | 25.7 | Very low | 28.7 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 78% | 0.778 | 71% | 0.709 | S | S | * | * | cis | -129.8 | 148.8 | 31.8 | -92.4 | 70.3 | 149.7 | 0 | 0 | 111.1 | ||||
| 807 | V | 36.9 | Very low | 29.4 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | cis | 65 | 73 | 39.2 | -167.2 | 0 | 0 | 0 | 0 | 113.4 | N809 | V807-N809 HydrophobicContact CG1-CB 3.86Š| ||
| 808 | P | 25.7 | Very low | 29.7 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 84% | 0.844 | 70% | 0.702 | S | S | * | * | -81.9 | 75.7 | 116.5 | 28.9 | -30.9 | 0 | 0 | 0 | 106.7 | |||||
| 809 | N | 23.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | 71.6 | 127.5 | 75.4 | -165.5 | 38.2 | 0 | 0 | 0 | 111.3 | V807 N811 | V807-N809 HydrophobicContact CG1-CB 3.86Å; N809-N811 PolarHBondContact O-N 3.45Å | |||
| 810 | F | 23.4 | Very low | 29.7 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 77% | 0.768 | 70% | 0.703 | S | S | * | * | trans | -36.8 | 126.7 | 172.5 | -94.6 | -146.4 | 0 | 0 | 0 | 114.1 | P812 | F810-P812 VanDerWaalsContact C-CD 3.49Å; F810-P812 VanDerWaalsContact CB-CD 3.42Å; F810-P812 HydrophobicContact CB-CG 4.26Å; F810-P812 HydrophobicContact CD1-CG 3.41Å; F810-P812 VanDerWaalsContact CD1-CG 3.41Å; F810-P812 HydrophobicContact CE1-CG 3.76Å; F810-P812 HydrophobicContact CG-CG 3.83Å; F810-P812 HydrophobicContact CZ-CG 4.44Å | ||
| 811 | N | 25.5 | Very low | 29.5 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 48% | 0.476 | 72% | 0.715 | S | S | . | * | trans | -134 | 63.5 | 134 | -162.1 | 1.8 | 0 | 0 | 0 | 112.7 | N809 S813 Q814 | N809-N811 PolarHBondContact O-N 3.45Å; N811-S813 PolarHBondContact O-N 3.02Å; N811-S813 VanDerWaalsContact OD1-CA 3.32Å; N811-S813 WeakPolarHBondContact OD1-CA 3.23Å; N811-S813 WeakPolarHBondContact OD1-CB 3.2Å; N811-S813 PolarHBondContact OD1-N 2.93Å; N811-S813 PolarHBondContact OD1-OG 3.47Å; N811-Q814 PolarHBondContact ND2-OE1 2.83Å; N811-Q814 PolarHBondContact OD1-N 3.41Å | ||
| 812 | P | 31 | Very low | 29.9 | Very low | 98 Ų | 98 | 126 Ų | 126 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 45.7 | 161.6 | 36.4 | -35.1 | 0 | 0 | 0 | 110.8 | F810 | F810-P812 VanDerWaalsContact C-CD 3.49Å; F810-P812 VanDerWaalsContact CB-CD 3.42Å; F810-P812 HydrophobicContact CB-CG 4.26Å; F810-P812 HydrophobicContact CD1-CG 3.41Å; F810-P812 VanDerWaalsContact CD1-CG 3.41Å; F810-P812 HydrophobicContact CE1-CG 3.76Å; F810-P812 HydrophobicContact CG-CG 3.83Å; F810-P812 HydrophobicContact CZ-CG 4.44Å |
| 813 | S | 28 | Very low | 30.4 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 53% | 0.531 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -157 | 27.4 | -169.4 | 38.8 | 0 | 0 | 0 | 0 | 113.5 | N811 | N811-S813 PolarHBondContact O-N 3.02Å; N811-S813 VanDerWaalsContact OD1-CA 3.32Å; N811-S813 WeakPolarHBondContact OD1-CA 3.23Å; N811-S813 WeakPolarHBondContact OD1-CB 3.2Å; N811-S813 PolarHBondContact OD1-N 2.93Å; N811-S813 PolarHBondContact OD1-OG 3.47Å |
| 814 | Q | 25.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -148.5 | 160.7 | 161.4 | -108.6 | 157.4 | -26.7 | 0 | 0 | 110 | N811 | N811-Q814 PolarHBondContact ND2-OE1 2.83Å; N811-Q814 PolarHBondContact OD1-N 3.41Å |
| 815 | P | 31.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | -85.3 | 150.4 | -128.6 | 30.3 | -38.8 | 0 | 0 | 0 | 116 | P817 | P815-P817 VanDerWaalsContact C-CD 3.48Å; P815-P817 VanDerWaalsContact O-CD 3.28Å; P815-P817 WeakPolarHBondContact O-CD 3.4Å | |||
| 816 | P | 29.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | trans | -105.5 | 87.6 | 177.1 | 38.2 | -31.7 | 0 | 0 | 0 | 115 | ||||
| 817 | P | 40.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -142.2 | 160.8 | 163.6 | 40.2 | -25.6 | 0 | 0 | 0 | 115.7 | P815 | P815-P817 VanDerWaalsContact C-CD 3.48Å; P815-P817 VanDerWaalsContact O-CD 3.28Å; P815-P817 WeakPolarHBondContact O-CD 3.4Å | ||
| 818 | P | 36.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -116.4 | 98.4 | -15.5 | 34.5 | -18 | 0 | 0 | 0 | 111 | ||
| 819 | L | 30.7 | Very low | 30.5 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | -108.7 | 145 | 165 | -76.3 | 177.5 | 0 | 0 | 0 | 110 | ||||
| 820 | L | 34.2 | Very low | 30.7 | Very low | 131 Ų | 131 | 133 Ų | 133 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | 72.9 | 151.5 | 174.8 | -44.9 | -178.7 | 0 | 0 | 0 | 112.8 | M822 | L820-M822 HydrophobicContact CD2-CB 3.94Š| ||
| 821 | P | 28.8 | Very low | 30.9 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 94% | 0.942 | 73% | 0.731 | S | S | * | * | S | Bend | cis | -95.7 | 103.3 | 43.1 | 34 | -36.7 | 0 | 0 | 0 | 115.8 | ||
| 822 | M | 40 | Very low | 30.8 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | -130.8 | 146.3 | 151.4 | -167.2 | 178.6 | 179.5 | 0 | 0 | 107 | L820 | L820-M822 HydrophobicContact CD2-CB 3.94Š| ||
| 823 | M | 38.4 | Very low | 30.9 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | trans | 57.6 | 87.6 | -177.9 | -59.9 | -169.7 | 175 | 0 | 0 | 116.8 | ||||
| 824 | M | 29.2 | Very low | 30.6 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 95% | 0.951 | 75% | 0.749 | S | S | * | * | -155.7 | 153.8 | 120.3 | -94.8 | -50.3 | 168.9 | 0 | 0 | 109.2 | |||||
| 825 | M | 26.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -144.8 | 135 | -157.1 | -74.7 | -173.5 | -175.4 | 0 | 0 | 110.4 | ||||
| 826 | M | 32.4 | Very low | 30 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | cis | -144.4 | -175.1 | -5.2 | -55.1 | -168.9 | -174.4 | 0 | 0 | 107.6 | T828 | M826-T828 PolarHBondContact O-N 3.49Š| ||
| 827 | P | 27.3 | Very low | 30 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -66.1 | 76.9 | 146.9 | 31 | -35.9 | 0 | 0 | 0 | 110.2 | ||||
| 828 | T | 36.2 | Very low | 29.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | -85.4 | 79.6 | 115.7 | 47.2 | 0 | 0 | 0 | 0 | 107.5 | M826 | M826-T828 PolarHBondContact O-N 3.49Š| |||
| 829 | M | 22.7 | Very low | 29.8 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | -75.8 | 132.7 | 132.6 | -62.9 | -159.6 | 85.7 | 0 | 0 | 105.3 | ||||
| 830 | V | 26.5 | Very low | 29.9 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 73% | 0.733 | S | S | * | * | trans | 74.3 | 121.3 | -170.7 | -165.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 831 | P | 27.9 | Very low | 29.9 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -57.5 | 162.7 | -13.9 | 30.5 | -36.6 | 0 | 0 | 0 | 110.9 | ||||
| 832 | T | 23.8 | Very low | 29.9 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | cis | -142.9 | 119.9 | 35.3 | -52.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 833 | Q | 32.3 | Very low | 29.4 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | trans | 24.9 | 100.7 | 146.1 | -57.9 | 173.8 | -1 | 0 | 0 | 118.4 | ||||
| 834 | S | 21.6 | Very low | 29 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | -163.3 | 115.9 | 155.9 | 158.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 835 | Q | 19.4 | Very low | 29.1 | Very low | 176 Ų | 176 | 120.9 Ų | 120.9 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -140.6 | 152.3 | -11.5 | -65.7 | 133.5 | 55.9 | 0 | 0 | 106.2 | ||
| 836 | T | 26.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | S | Bend | cis | -66 | 142.6 | -3.4 | 42.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 837 | Q | 29.6 | Very low | 29 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | cis | 70.8 | 140.7 | 49.6 | -170.5 | -170 | 87.7 | 0 | 0 | 111.5 | ||||
| 838 | T | 35.1 | Very low | 28.9 | Very low | 95 Ų | 95 | 116.8 Ų | 116.8 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | trans | 66.3 | 128.5 | 178.3 | 39.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 839 | T | 37.2 | Very low | 28.5 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | 65.1 | 105.1 | 61.8 | -52.8 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 840 | L | 32.2 | Very low | 28.7 | Very low | 153 Ų | 153 | 115 Ų | 115 | 80% | 0.801 | 71% | 0.71 | S | S | * | * | cis | -130.5 | -172.2 | 28.7 | -65.2 | 104.4 | 0 | 0 | 0 | 110.9 | ||||
| 841 | G | 34.2 | Very low | 28.7 | Very low | 64 Ų | 64 | 115.3 Ų | 115.3 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | cis | 78.8 | 149.5 | 27 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 842 | V | 30.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | 67.7 | 134.5 | 173 | 179.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 843 | V | 29.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | cis | 175.3 | 147.9 | -14.3 | 120.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 844 | A | 29 | Very low | 28.5 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 53.9 | -174.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 845 | G | 31.5 | Very low | 28.7 | Very low | 61 Ų | 61 | 116.4 Ų | 116.4 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | 88.3 | 112.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 846 | T | 25.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 116.3 Ų | 116.3 | 80% | 0.798 | 70% | 0.695 | S | S | * | * | cis | 58.6 | 140.6 | 6.6 | 74.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 847 | P | 31.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | -133.4 | -159.1 | -54.4 | 36.6 | -18.9 | 0 | 0 | 0 | 110 | |||||
| 848 | S | 25.3 | Very low | 28.9 | Very low | 98 Ų | 98 | 116.5 Ų | 116.5 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | 68.8 | -176.9 | 144.5 | 72.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 849 | L | 27.3 | Very low | 28.5 | Very low | 149 Ų | 149 | 118.1 Ų | 118.1 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | 74.5 | 86.9 | 178.9 | -51.7 | -178.7 | 0 | 0 | 0 | 114.4 | ||||
| 850 | S | 26.3 | Very low | 27.9 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | cis | 77.7 | 119.4 | 45.5 | 100.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 851 | V | 27.6 | Very low | 28.3 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | 71.5 | 139 | 88.2 | 166.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 852 | P | 28.8 | Very low | 27.8 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 57% | 0.565 | 72% | 0.722 | S | S | * | * | cis | -132.5 | -170.4 | -24.5 | 35.4 | -15.8 | 0 | 0 | 0 | 112.4 | ||||
| 853 | F | 24 | Very low | 27.6 | Very low | 165 Ų | 165 | 123 Ų | 123 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | -170.3 | 136.9 | 109.8 | -114.2 | -109.1 | 0 | 0 | 0 | 107 | |||||
| 854 | N | 25.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 56% | 0.556 | 72% | 0.72 | S | S | * | * | 58.3 | 136.8 | 60.2 | -75 | -22.3 | 0 | 0 | 0 | 111.5 | |||||
| 855 | Q | 26 | Very low | 27.1 | Very low | 115 Ų | 115 | 124 Ų | 124 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | cis | -170.2 | 148.1 | 12.6 | -125.8 | 162.4 | 19.4 | 0 | 0 | 111.8 | ||||
| 856 | F | 25.1 | Very low | 26.8 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | trans | 60.8 | 162.6 | 163.8 | -45.4 | -57.7 | 0 | 0 | 0 | 115.8 | ||||
| 857 | T | 29.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | cis | -139.5 | 139.4 | 12.5 | 47.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 858 | N | 26.2 | Very low | 26.6 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 37.1 | 140.6 | 135.5 | -56.4 | -11.7 | 0 | 0 | 0 | 123.7 | ||||
| 859 | T | 27 | Very low | 26.8 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 80.1 | 111.8 | 142.3 | 37.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 860 | S | 25.1 | Very low | 26.9 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | 74.3 | 71.8 | 140.6 | 49.2 | 0 | 0 | 0 | 0 | 122.2 | P862 | S860-P862 WeakPolarHBondContact O-CD 3.36Š| ||
| 861 | L | 38.6 | Very low | 27 | Very low | 179 Ų | 179 | 129 Ų | 129 | 94% | 0.937 | 73% | 0.73 | S | S | * | * | 66.8 | 61.3 | 120.2 | -61.1 | 162.9 | 0 | 0 | 0 | 120.9 | |||||
| 862 | P | 25.2 | Very low | 27 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | trans | -122.5 | 162 | 140.1 | 6.3 | 16.9 | 0 | 0 | 0 | 110.6 | S860 | S860-P862 WeakPolarHBondContact O-CD 3.36Š| ||
| 863 | M | 24.6 | Very low | 27 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | cis | 90.4 | 108 | 34.8 | -150.8 | -159.8 | -67.4 | 0 | 0 | 115.5 | ||||
| 864 | S | 24.9 | Very low | 27.1 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | 71.5 | 136.1 | 146.1 | -71.7 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 865 | L | 24.2 | Very low | 27.1 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 83.8 | 135.1 | 138.1 | -73.6 | 163 | 0 | 0 | 0 | 124.4 | ||||
| 866 | N | 25.5 | Very low | 27.3 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 107.6 | 145.4 | -70.4 | -5.2 | 0 | 0 | 0 | 124.9 | ||||
| 867 | A | 25.1 | Very low | 27.7 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | 62 | 121.6 | 112.5 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 868 | V | 27.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 69 | 153.2 | 136.5 | 177 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 869 | P | 30.1 | Very low | 27.9 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | cis | -108 | 153.5 | 2.5 | 5.1 | 21 | 0 | 0 | 0 | 115.3 | ||||
| 870 | Q | 28.6 | Very low | 27.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | 73.3 | 130.7 | 84.9 | -62.2 | -172.9 | -45.7 | 0 | 0 | 117.9 | |||||
| 871 | S | 28.8 | Very low | 28.3 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 63.7 | 137.3 | 156.3 | -74 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 872 | D | 26 | Very low | 28.1 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -155.1 | 177.6 | 2.1 | -97.5 | -20.5 | 0 | 0 | 0 | 112 | ||||
| 873 | L | 28.8 | Very low | 28.7 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 74.6 | 83.1 | 155.8 | -75.3 | 153 | 0 | 0 | 0 | 120.8 | ||||
| 874 | I | 26.7 | Very low | 29.3 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | 42.1 | 106.3 | 123.8 | -52.1 | 172.3 | 0 | 0 | 0 | 118.6 | |||||
| 875 | A | 26.2 | Very low | 30.1 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -146.1 | 155.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 876 | P | 30.1 | Very low | 30.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -90.6 | 169.5 | -155.4 | 34.6 | -37.2 | 0 | 0 | 0 | 116.9 | ||||
| 877 | T | 32.9 | Very low | 32 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 71% | 0.709 | S | S | * | * | trans | -65.2 | 156.3 | 179 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 878 | P | 30.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | -146.7 | 156 | 125.2 | 37.8 | -23.5 | 0 | 0 | 0 | 117 | |||||
| 879 | I | 28.5 | Very low | 34 | Very low | 166 Ų | 166 | 118.5 Ų | 118.5 | 85% | 0.851 | 67% | 0.67 | S | S | * | * | trans | 77.5 | 140.7 | 155 | -64.8 | 153.5 | 0 | 0 | 0 | 118.2 | ||||
| 880 | R | 28.2 | Very low | 34.7 | Very low | 228 Ų | 228 | 122.8 Ų | 122.8 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -88.7 | 145 | -172.4 | -55.3 | 173.8 | -174.2 | 170 | 1 | 111.6 | ||||
| 881 | P | 32.9 | Very low | 36 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -71.6 | 159.8 | 173.2 | 31.9 | -36 | 0 | 0 | 0 | 112.5 | ||
| 882 | F | 34.8 | Very low | 37.6 | Very low | 201 Ų | 201 | 116 Ų | 116 | 88% | 0.882 | 65% | 0.645 | S | S | * | * | trans | 62.7 | 52.2 | 172.5 | -48.1 | -61.7 | 0 | 0 | 0 | 116.9 | ||||
| 883 | S | 37.3 | Very low | 39.2 | Very low | 63 Ų | 63 | 117.7 Ų | 117.7 | 44% | 0.441 | 64% | 0.641 | S | S | . | * | trans | -83.9 | 133.1 | 145.1 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | D885 A886 | S883-D885 PolarHBondContact O-N 3.31Å; S883-D885 PolarHBondContact OG-N 2.95Å; S883-A886 PolarHBondContact O-N 2.86Å | ||
| 884 | L | 38.2 | Very low | 40.9 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -26.3 | 177.1 | -162.9 | 69.9 | 0 | 0 | 0 | 112.1 | A886 V887 T888 L951 F956 | L884-A886 PolarHBondContact O-N 2.66Å; L884-V887 PolarHBondContact O-N 2.88Å; L884-T888 PolarHBondContact O-OG1 2.9Å; L884-L951 HydrophobicContact CD2-CD2 3.54Å; L884-F956 HydrophobicContact CD2-CE2 3.77Å; L884-F956 HydrophobicContact CD2-CZ 3.65Å; L884-F956 HydrophobicContact CG-CZ 4.31Å |
| 885 | D | 40.6 | Very low | 43 | Very low | 51 Ų | 51 | 111.2 Ų | 111.2 | 27% | 0.273 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.4 | -22 | 179.1 | -68.3 | -41 | 0 | 0 | 0 | 114.3 | S883 T889 R955 | S883-D885 PolarHBondContact O-N 3.31Å; S883-D885 PolarHBondContact OG-N 2.95Å; D885-T889 WeakPolarHBondContact O-CG2 2.97Å; D885-R955 WeakPolarHBondContact OD1-CD 3.39Å; D885-R955 IonicContact OD1-CZ 3.38Å; D885-R955 IonicContact OD1-NE 3.72Å; D885-R955 PolarHBondContact OD1-NE 3.19Å; D885-R955 IonicContact OD1-NH1 2.71Å; D885-R955 PolarHBondContact OD1-NH1 3.31Å; D885-R955 IonicContact OD1-NH2 3.1Å; D885-R955 IonicContact OD2-CZ 3.26Å; D885-R955 IonicContact OD2-NE 2.77Å; D885-R955 IonicContact OD2-NH1 3.79Å; D885-R955 PolarHBondContact OD2-NH1 2.81Å; D885-R955 IonicContact OD2-NH2 2.95Å; D885-R955 PolarHBondContact OD2-NH2 2.73Å; D885-R955 VanDerWaalsContact OD2-NH2 3.16Å |
| 886 | A | 40 | Very low | 44.7 | Very low | 74 Ų | 74 | 109 Ų | 109 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84.7 | -18.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S883 L884 | S883-A886 PolarHBondContact O-N 2.86Å; L884-A886 PolarHBondContact O-N 2.66Å |
| 887 | V | 49.6 | Very low | 46.4 | Very low | 105 Ų | 105 | 107 Ų | 107 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -101.9 | -26.3 | -176.8 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | L884 | L884-V887 PolarHBondContact O-N 2.88Å |
| 888 | T | 44.4 | Very low | 48.1 | Very low | 16 Ų | 16 | 104.7 Ų | 104.7 | 10% | 0.098 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -78.4 | -20.6 | -176.7 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | L884 F890 L891 Q896 F956 | L884-T888 PolarHBondContact O-OG1 2.9Å; T888-F890 PolarHBondContact O-N 3.1Å; T888-F890 VanDerWaalsContact O-N 3.14Å; T888-L891 PolarHBondContact O-N 3.37Å; T888-L891 VanDerWaalsContact O-N 3.17Å; T888-Q896 PolarHBondContact O-NE2 2.88Å; T888-F956 HydrophobicContact CG2-CE1 4.14Å; T888-F956 HydrophobicContact CG2-CZ 4.2Å |
| 889 | T | 50.4 | Low | 49.8 | Very low | 94 Ų | 94 | 103.3 Ų | 103.3 | 58% | 0.577 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.2 | -172.2 | 39 | 0 | 0 | 0 | 0 | 115.7 | D885 | D885-T889 WeakPolarHBondContact O-CG2 2.97Š|
| 890 | F | 46 | Very low | 51.6 | Low | 196 Ų | 196 | 95.7 Ų | 95.7 | 86% | 0.86 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 4.9 | 179.6 | -69 | -78.9 | 0 | 0 | 0 | 114.3 | T888 | T888-F890 PolarHBondContact O-N 3.1Å; T888-F890 VanDerWaalsContact O-N 3.14Å |
| 891 | L | 55.5 | Low | 53.5 | Low | 61 Ų | 61 | 88.5 Ų | 88.5 | 32% | 0.319 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -100.2 | 145.6 | 178.4 | -63 | 173.6 | 0 | 0 | 0 | 110.8 | T888 V895 Q896 L899 | T888-L891 PolarHBondContact O-N 3.37Å; T888-L891 VanDerWaalsContact O-N 3.17Å; L891-V895 HydrophobicContact CB-CB 4.48Å; L891-V895 HydrophobicContact CB-CG1 4.33Å; L891-V895 HydrophobicContact CD2-CG1 4.14Å; L891-Q896 HydrophobicContact CB-CG 3.73Å; L891-Q896 PolarHBondContact O-NE2 3.37Å; L891-L899 HydrophobicContact CD1-CD2 3.71Å |
| 892 | S | 62.6 | Low | 55.2 | Low | 74 Ų | 74 | 86.1 Ų | 86.1 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | trans | -56.2 | 146.6 | 169.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | D894 V895 Q896 | S892-D894 PolarHBondContact O-N 3.14Å; S892-D894 VanDerWaalsContact O-N 3.13Å; S892-V895 CarbonylContact O-C 3.49Å; S892-V895 WeakPolarHBondContact O-CA 3.45Å; S892-V895 WeakPolarHBondContact O-CB 3.45Å; S892-V895 PolarHBondContact O-N 3.1Å; S892-Q896 WeakPolarHBondContact O-CG 3.19Å; S892-Q896 PolarHBondContact O-N 3.28Å | ||
| 893 | R | 59.1 | Low | 56.8 | Low | 174 Ų | 174 | 78.1 Ų | 78.1 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.1 | -32.2 | -174.9 | -159.2 | 179.3 | -166 | -172.6 | 5.1 | 113.1 | R897 | R893-R897 WeakPolarHBondContact O-CB 3.29Å; R893-R897 WeakPolarHBondContact O-CG 3.34Å; R893-R897 PolarHBondContact O-N 3.43Å |
| 894 | D | 64.8 | Low | 58.2 | Low | 102 Ų | 102 | 75.1 Ų | 75.1 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80.1 | -28.8 | 177 | -54.9 | -55.1 | 0 | 0 | 0 | 112.1 | S892 R897 Q898 | S892-D894 PolarHBondContact O-N 3.14Å; S892-D894 VanDerWaalsContact O-N 3.13Å; D894-R897 PolarHBondContact O-N 3.42Å; D894-R897 IonicContact OD1-NH1 3.85Å; D894-R897 PolarHBondContact OD1-NH1 2.95Å; D894-Q898 WeakPolarHBondContact O-CB 3.43Å; D894-Q898 PolarHBondContact O-N 3.12Å |
| 895 | V | 69.9 | Low | 59.6 | Low | 75 Ų | 75 | 74.2 Ų | 74.2 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.9 | -36.1 | 169.2 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L891 S892 Q898 L899 | L891-V895 HydrophobicContact CB-CB 4.48Å; L891-V895 HydrophobicContact CB-CG1 4.33Å; L891-V895 HydrophobicContact CD2-CG1 4.14Å; S892-V895 CarbonylContact O-C 3.49Å; S892-V895 WeakPolarHBondContact O-CA 3.45Å; S892-V895 WeakPolarHBondContact O-CB 3.45Å; S892-V895 PolarHBondContact O-N 3.1Å; V895-Q898 PolarHBondContact O-N 3.18Å; V895-L899 WeakPolarHBondContact O-CB 3.3Å; V895-L899 PolarHBondContact O-N 3.45Å |
| 896 | Q | 61.5 | Low | 60.8 | Low | 49 Ų | 49 | 78.8 Ų | 78.8 | 23% | 0.229 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 170.2 | -66.5 | 175.8 | 28.6 | 0 | 0 | 110.9 | T888 L891 S892 A900 | T888-Q896 PolarHBondContact O-NE2 2.88Å; L891-Q896 HydrophobicContact CB-CG 3.73Å; L891-Q896 PolarHBondContact O-NE2 3.37Å; S892-Q896 WeakPolarHBondContact O-CG 3.19Å; S892-Q896 PolarHBondContact O-N 3.28Å; Q896-A900 WeakPolarHBondContact O-CB 3.43Å; Q896-A900 PolarHBondContact O-N 3.09Å |
| 897 | R | 66.2 | Low | 62.1 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.4 | -80.1 | 167.7 | 162.7 | 174 | -11.7 | 111.9 | R893 D894 A900 R901 | R893-R897 WeakPolarHBondContact O-CB 3.29Å; R893-R897 WeakPolarHBondContact O-CG 3.34Å; R893-R897 PolarHBondContact O-N 3.43Å; D894-R897 PolarHBondContact O-N 3.42Å; D894-R897 IonicContact OD1-NH1 3.85Å; D894-R897 PolarHBondContact OD1-NH1 2.95Å; R897-A900 CarbonylContact O-C 3.54Å; R897-A900 PolarHBondContact O-N 3.14Å; R897-R901 WeakPolarHBondContact O-CB 3.46Å; R897-R901 WeakPolarHBondContact O-CG 3.39Å; R897-R901 PolarHBondContact O-N 3.42Å |
| 898 | Q | 69.2 | Low | 62.8 | Low | 87 Ų | 87 | 71.5 Ų | 71.5 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | -180 | -168.2 | 57.9 | 37.8 | 0 | 0 | 111.3 | D894 V895 A900 R901 D902 | D894-Q898 WeakPolarHBondContact O-CB 3.43Å; D894-Q898 PolarHBondContact O-N 3.12Å; V895-Q898 PolarHBondContact O-N 3.18Å; Q898-A900 VanDerWaalsContact C-N 3.27Å; Q898-A900 PolarHBondContact O-N 3.45Å; Q898-R901 PolarHBondContact O-N 3.44Å; Q898-D902 PolarHBondContact NE2-OD1 3.5Å; Q898-D902 VanDerWaalsContact O-CB 3.28Å; Q898-D902 WeakPolarHBondContact O-CB 3.49Å; Q898-D902 PolarHBondContact O-N 3.31Å |
| 899 | L | 67.4 | Low | 63.8 | Low | 79 Ų | 79 | 75.2 Ų | 75.2 | 41% | 0.414 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 172.9 | -172.4 | 68.4 | 0 | 0 | 0 | 111.7 | L891 V895 A903 | L891-L899 HydrophobicContact CD1-CD2 3.71Å; V895-L899 WeakPolarHBondContact O-CB 3.3Å; V895-L899 PolarHBondContact O-N 3.45Å; L899-A903 WeakPolarHBondContact O-CB 3.25Å; L899-A903 PolarHBondContact O-N 3.08Å |
| 900 | A | 65.8 | Low | 64.1 | Low | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q896 R897 Q898 A903 F904 F956 F961 | Q896-A900 WeakPolarHBondContact O-CB 3.43Å; Q896-A900 PolarHBondContact O-N 3.09Å; R897-A900 CarbonylContact O-C 3.54Å; R897-A900 PolarHBondContact O-N 3.14Å; Q898-A900 VanDerWaalsContact C-N 3.27Å; Q898-A900 PolarHBondContact O-N 3.45Å; A900-A903 PolarHBondContact O-N 2.8Å; A900-F904 WeakPolarHBondContact O-CB 3.5Å; A900-F904 PolarHBondContact O-N 2.61Å; A900-F956 HydrophobicContact CB-CB 4.33Å; A900-F956 HydrophobicContact CB-CD1 3.45Å; A900-F956 VanDerWaalsContact CB-CD1 3.45Å; A900-F956 HydrophobicContact CB-CE1 3.97Å; A900-F956 HydrophobicContact CB-CG 3.96Å; A900-F961 HydrophobicContact CB-CE1 4.17Å; A900-F961 HydrophobicContact CB-CZ 3.76Å |
| 901 | R | 68.1 | Low | 64.6 | Low | 77 Ų | 77 | 61.9 Ų | 61.9 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 172.5 | -73.4 | -179.9 | -166.4 | 153 | -6.8 | 110.7 | R897 Q898 A903 F904 M905 E960 F961 | R897-R901 WeakPolarHBondContact O-CB 3.46Å; R897-R901 WeakPolarHBondContact O-CG 3.39Å; R897-R901 PolarHBondContact O-N 3.42Å; Q898-R901 PolarHBondContact O-N 3.44Å; R901-A903 VanDerWaalsContact C-N 3.34Å; R901-A903 PolarHBondContact O-N 2.7Å; R901-F904 PolarHBondContact O-N 3.29Å; R901-M905 VanDerWaalsContact O-CB 3.24Å; R901-M905 WeakPolarHBondContact O-CB 3.24Å; R901-M905 VanDerWaalsContact O-CG 3.23Å; R901-M905 WeakPolarHBondContact O-CG 3.44Å; R901-M905 PolarHBondContact O-N 2.94Å; R901-E960 IonicContact CZ-OE2 2.93Å; R901-E960 IonicContact NE-OE2 3.45Å; R901-E960 PolarHBondContact NE-OE2 3.45Å; R901-E960 IonicContact NH2-OE1 3.96Å; R901-E960 PolarHBondContact NH2-OE1 3.03Å; R901-E960 IonicContact NH2-OE2 3.24Å; R901-E960 PolarHBondContact NH2-OE2 3.28Å; R901-F961 HydrophobicContact CB-CE1 4.48Å; R901-F961 HydrophobicContact CG-CE1 4.01Å; R901-F961 HydrophobicContact CG-CZ 3.91Å |
| 902 | D | 68.8 | Low | 64.1 | Low | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 173.1 | -85.4 | 38.8 | 0 | 0 | 0 | 112.2 | Q898 R906 | Q898-D902 PolarHBondContact NE2-OD1 3.5Å; Q898-D902 VanDerWaalsContact O-CB 3.28Å; Q898-D902 WeakPolarHBondContact O-CB 3.49Å; Q898-D902 PolarHBondContact O-N 3.31Å; D902-R906 VanDerWaalsContact O-CB 3.32Å; D902-R906 WeakPolarHBondContact O-CB 3.24Å; D902-R906 WeakPolarHBondContact O-CG 3.38Å; D902-R906 PolarHBondContact O-N 3.5Å; D902-R906 IonicContact OD2-CZ 3.66Å; D902-R906 IonicContact OD2-NH1 3.01Å; D902-R906 IonicContact OD2-NH2 2.82Å; D902-R906 PolarHBondContact OD2-NH2 3.35Å |
| 903 | A | 66.7 | Low | 63.2 | Low | 33 Ų | 33 | 60.4 Ų | 60.4 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L899 A900 R901 R906 I907 | L899-A903 WeakPolarHBondContact O-CB 3.25Å; L899-A903 PolarHBondContact O-N 3.08Å; A900-A903 PolarHBondContact O-N 2.8Å; R901-A903 VanDerWaalsContact C-N 3.34Å; R901-A903 PolarHBondContact O-N 2.7Å; A903-R906 CarbonylContact O-C 3.57Å; A903-R906 PolarHBondContact O-N 3.37Å; A903-I907 WeakPolarHBondContact O-CB 3.5Å; A903-I907 VanDerWaalsContact O-CD1 3.26Å; A903-I907 WeakPolarHBondContact O-CD1 3.49Å; A903-I907 WeakPolarHBondContact O-CG1 3.23Å; A903-I907 PolarHBondContact O-N 3.24Å |
| 904 | F | 68.3 | Low | 62.2 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 178.1 | -165.9 | -99.7 | 0 | 0 | 0 | 111.6 | A900 R901 I907 L908 L948 L951 T952 F961 I964 L965 | A900-F904 WeakPolarHBondContact O-CB 3.5Å; A900-F904 PolarHBondContact O-N 2.61Å; R901-F904 PolarHBondContact O-N 3.29Å; F904-I907 PolarHBondContact O-N 3.37Å; F904-L908 HydrophobicContact CD1-CD1 3.64Å; F904-L908 HydrophobicContact CD1-CG 4.12Å; F904-L908 HydrophobicContact CE1-CD1 3.59Å; F904-L908 HydrophobicContact CE1-CG 4.16Å; F904-L908 WeakPolarHBondContact O-CB 3.17Å; F904-L908 WeakPolarHBondContact O-CG 3.3Å; F904-L908 PolarHBondContact O-N 2.95Å; F904-L948 HydrophobicContact CD2-CD2 3.56Å; F904-L948 HydrophobicContact CE1-CD2 4.39Å; F904-L948 HydrophobicContact CE2-CB 4.2Å; F904-L948 HydrophobicContact CE2-CD2 3.39Å; F904-L948 HydrophobicContact CE2-CG 4.39Å; F904-L948 HydrophobicContact CG-CD2 4.16Å; F904-L948 HydrophobicContact CZ-CD2 3.85Å; F904-L951 HydrophobicContact CB-CD1 4.44Å; F904-L951 HydrophobicContact CD2-CB 3.75Å; F904-L951 HydrophobicContact CD2-CD1 3.9Å; F904-L951 HydrophobicContact CD2-CG 4.48Å; F904-L951 HydrophobicContact CE2-CB 4.14Å; F904-T952 HydrophobicContact CE2-CG2 3.8Å; F904-T952 HydrophobicContact CZ-CG2 3.89Å; F904-F961 HydrophobicContact CB-CD1 3.74Å; F904-F961 HydrophobicContact CB-CE1 3.81Å; F904-F961 HydrophobicContact CD1-CB 4.49Å; F904-F961 AromaticContact CD1-CD1 3.73Å; F904-F961 HydrophobicContact CD1-CD1 3.73Å; F904-F961 AromaticContact CD2-CD1 3.78Å; F904-F961 HydrophobicContact CD2-CD1 3.78Å; F904-F961 HydrophobicContact CE1-CB 4.03Å; F904-F961 HydrophobicContact CE1-CD1 4.12Å; F904-F961 VanDerWaalsContact CE1-O 3.22Å; F904-F961 WeakPolarHBondContact CE1-O 3.37Å; F904-F961 HydrophobicContact CE2-CB 4.1Å; F904-F961 HydrophobicContact CE2-CD1 4.18Å; F904-F961 AromaticContact CG-CD1 3.51Å; F904-F961 HydrophobicContact CG-CD1 3.51Å; F904-F961 HydrophobicContact CG-CE1 4.12Å; F904-F961 HydrophobicContact CZ-CB 3.8Å; F904-F961 HydrophobicContact CZ-CD1 4.32Å; F904-F961 WeakPolarHBondContact CZ-O 3.21Å; F904-I964 HydrophobicContact CE1-CG2 4.49Å; F904-L965 HydrophobicContact CE1-CB 3.98Å; F904-L965 HydrophobicContact CZ-CB 3.87Å; F904-L965 HydrophobicContact CZ-CD2 4.11Å; F904-L965 HydrophobicContact CZ-CG 4.46Å |
| 905 | M | 66.9 | Low | 60.9 | Low | 71 Ų | 71 | 49.2 Ų | 49.2 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 169.4 | -72.7 | -58.9 | -63.2 | 0 | 0 | 110.1 | R901 I907 L908 E909 I964 | R901-M905 VanDerWaalsContact O-CB 3.24Å; R901-M905 WeakPolarHBondContact O-CB 3.24Å; R901-M905 VanDerWaalsContact O-CG 3.23Å; R901-M905 WeakPolarHBondContact O-CG 3.44Å; R901-M905 PolarHBondContact O-N 2.94Å; M905-I907 PolarHBondContact O-N 3.11Å; M905-L908 CarbonylContact O-C 3.6Å; M905-L908 PolarHBondContact O-N 3.42Å; M905-L908 VanDerWaalsContact O-N 3.09Å; M905-L908 HydrophobicContact SD-CD1 4.49Å; M905-E909 WeakPolarHBondContact O-CB 3.33Å; M905-E909 WeakPolarHBondContact O-CG 3.33Å; M905-E909 PolarHBondContact O-N 3.08Å; M905-I964 HydrophobicContact SD-CG2 3.68Å |
| 906 | R | 66.2 | Low | 59.2 | Low | 146 Ų | 146 | 49.6 Ų | 49.6 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.8 | -26 | 174.3 | -72.6 | 170.1 | -164.9 | 130.2 | 19 | 114.1 | D902 A903 G910 | D902-R906 VanDerWaalsContact O-CB 3.32Å; D902-R906 WeakPolarHBondContact O-CB 3.24Å; D902-R906 WeakPolarHBondContact O-CG 3.38Å; D902-R906 PolarHBondContact O-N 3.5Å; D902-R906 IonicContact OD2-CZ 3.66Å; D902-R906 IonicContact OD2-NH1 3.01Å; D902-R906 IonicContact OD2-NH2 2.82Å; D902-R906 PolarHBondContact OD2-NH2 3.35Å; A903-R906 CarbonylContact O-C 3.57Å; A903-R906 PolarHBondContact O-N 3.37Å; R906-G910 WeakPolarHBondContact O-CA 3.42Å; R906-G910 PolarHBondContact O-N 2.95Å |
| 907 | I | 66.4 | Low | 58 | Low | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82.2 | -36.3 | 174.2 | -65.3 | 156.4 | 0 | 0 | 0 | 111 | A903 F904 M905 G910 L911 L947 L948 L951 | A903-I907 WeakPolarHBondContact O-CB 3.5Å; A903-I907 VanDerWaalsContact O-CD1 3.26Å; A903-I907 WeakPolarHBondContact O-CD1 3.49Å; A903-I907 WeakPolarHBondContact O-CG1 3.23Å; A903-I907 PolarHBondContact O-N 3.24Å; F904-I907 PolarHBondContact O-N 3.37Å; M905-I907 PolarHBondContact O-N 3.11Å; I907-G910 PolarHBondContact O-N 3.05Å; I907-L911 HydrophobicContact CG2-CD1 4.32Å; I907-L911 WeakPolarHBondContact O-CB 3.41Å; I907-L911 WeakPolarHBondContact O-CG 3.48Å; I907-L911 PolarHBondContact O-N 2.92Å; I907-L947 HydrophobicContact CD1-CD2 3.49Å; I907-L947 VanDerWaalsContact CD1-CD2 3.49Å; I907-L947 HydrophobicContact CD1-CG 3.8Å; I907-L947 HydrophobicContact CG1-CD2 4.18Å; I907-L948 HydrophobicContact CB-CD2 4.17Å; I907-L948 HydrophobicContact CG2-CD2 3.62Å; I907-L948 HydrophobicContact CG2-CG 3.83Å; I907-L951 HydrophobicContact CD1-CD1 3.45Å; I907-L951 VanDerWaalsContact CD1-CD1 3.45Å |
| 908 | L | 65.7 | Low | 56.3 | Low | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.8 | -42.8 | 172.9 | -80.8 | -180 | 0 | 0 | 0 | 112.4 | F904 M905 G910 L911 G912 L948 I964 L965 H968 | F904-L908 HydrophobicContact CD1-CD1 3.64Å; F904-L908 HydrophobicContact CD1-CG 4.12Å; F904-L908 HydrophobicContact CE1-CD1 3.59Å; F904-L908 HydrophobicContact CE1-CG 4.16Å; F904-L908 WeakPolarHBondContact O-CB 3.17Å; F904-L908 WeakPolarHBondContact O-CG 3.3Å; F904-L908 PolarHBondContact O-N 2.95Å; M905-L908 CarbonylContact O-C 3.6Å; M905-L908 PolarHBondContact O-N 3.42Å; M905-L908 VanDerWaalsContact O-N 3.09Å; M905-L908 HydrophobicContact SD-CD1 4.49Å; L908-G910 VanDerWaalsContact C-N 3.28Å; L908-L911 CarbonylContact O-C 3.58Å; L908-L911 PolarHBondContact O-N 3.44Å; L908-G912 WeakPolarHBondContact O-CA 3.23Å; L908-G912 PolarHBondContact O-N 3.32Å; L908-L948 HydrophobicContact CD2-CD1 4.25Å; L908-L948 HydrophobicContact CD2-CD2 4.29Å; L908-L948 HydrophobicContact CG-CD2 4.25Å; L908-I964 HydrophobicContact CD1-CG2 3.67Å; L908-L965 HydrophobicContact CD2-CD1 3.74Å; L908-H968 HydrophobicContact CD1-CB 4.24Å; L908-H968 HydrophobicContact CD2-CB 4.35Å; L908-H968 PolarHBondContact O-NE2 2.97Å |
| 909 | E | 64 | Low | 54.4 | Low | 95 Ų | 95 | 57.9 Ų | 57.9 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 166.7 | -68.9 | 157.7 | -168.2 | 0 | 0 | 109.9 | M905 G912 I913 | M905-E909 WeakPolarHBondContact O-CB 3.33Å; M905-E909 WeakPolarHBondContact O-CG 3.33Å; M905-E909 PolarHBondContact O-N 3.08Å; E909-G912 CarbonylContact O-C 3.42Å; E909-G912 WeakPolarHBondContact O-CA 3.4Å; E909-G912 PolarHBondContact O-N 2.88Å; E909-I913 WeakPolarHBondContact O-CB 3.25Å; E909-I913 WeakPolarHBondContact O-CD1 3.4Å; E909-I913 WeakPolarHBondContact O-CG1 3.35Å; E909-I913 PolarHBondContact O-N 3.47Å |
| 910 | G | 57.5 | Low | 52.6 | Low | 6 Ų | 6 | 57 Ų | 57 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | R906 I907 L908 I913 S914 R944 | R906-G910 WeakPolarHBondContact O-CA 3.42Å; R906-G910 PolarHBondContact O-N 2.95Å; I907-G910 PolarHBondContact O-N 3.05Å; L908-G910 VanDerWaalsContact C-N 3.28Å; G910-I913 PolarHBondContact O-N 2.83Å; G910-S914 PolarHBondContact O-N 3.25Å; G910-S914 PolarHBondContact O-OG 3.08Å; G910-R944 VanDerWaalsContact C-NH1 3.26Å; G910-R944 PolarHBondContact O-NH1 3.07Å; G910-R944 PolarHBondContact O-NH2 3.49Å |
| 911 | L | 55.7 | Low | 50.7 | Low | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -35.1 | 171 | -77.1 | 158.7 | 0 | 0 | 0 | 111.2 | I907 L908 I913 S914 F915 D941 R944 L948 | I907-L911 HydrophobicContact CG2-CD1 4.32Å; I907-L911 WeakPolarHBondContact O-CB 3.41Å; I907-L911 WeakPolarHBondContact O-CG 3.48Å; I907-L911 PolarHBondContact O-N 2.92Å; L908-L911 CarbonylContact O-C 3.58Å; L908-L911 PolarHBondContact O-N 3.44Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 PolarHBondContact O-N 2.82Å; L911-S914 CarbonylContact O-C 3.59Å; L911-S914 VanDerWaalsContact O-CA 3.27Å; L911-S914 WeakPolarHBondContact O-CA 3.24Å; L911-S914 VanDerWaalsContact O-CB 3.27Å; L911-S914 WeakPolarHBondContact O-CB 3.46Å; L911-S914 PolarHBondContact O-N 2.73Å; L911-F915 HydrophobicContact CB-CD2 4.28Å; L911-F915 HydrophobicContact CB-CE2 3.87Å; L911-F915 HydrophobicContact CB-CZ 4.43Å; L911-F915 HydrophobicContact CD2-CE2 4.31Å; L911-F915 HydrophobicContact CD2-CZ 4.07Å; L911-F915 WeakPolarHBondContact O-CB 3.25Å; L911-F915 WeakPolarHBondContact O-CD2 3.32Å; L911-F915 WeakPolarHBondContact O-CG 3.44Å; L911-F915 PolarHBondContact O-N 3.31Å; L911-D941 WeakPolarHBondContact CD2-OD1 3.25Å; L911-R944 HydrophobicContact CD2-CB 4.37Å; L911-R944 HydrophobicContact CG-CB 4.49Å; L911-L948 HydrophobicContact CD1-CD1 3.41Å; L911-L948 VanDerWaalsContact CD1-CD1 3.41Å; L911-L948 HydrophobicContact CD1-CG 4.22Å |
| 912 | G | 46.5 | Very low | 48.9 | Very low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | L908 E909 S914 F915 I916 | L908-G912 WeakPolarHBondContact O-CA 3.23Å; L908-G912 PolarHBondContact O-N 3.32Å; E909-G912 CarbonylContact O-C 3.42Å; E909-G912 WeakPolarHBondContact O-CA 3.4Å; E909-G912 PolarHBondContact O-N 2.88Å; G912-S914 PolarHBondContact O-N 2.6Å; G912-F915 CarbonylContact O-C 3.6Å; G912-F915 PolarHBondContact O-N 2.84Å; G912-I916 WeakPolarHBondContact O-CA 3.41Å; G912-I916 WeakPolarHBondContact O-CB 3.42Å; G912-I916 VanDerWaalsContact O-CG1 3.23Å; G912-I916 WeakPolarHBondContact O-CG1 3.47Å; G912-I916 PolarHBondContact O-N 2.79Å |
| 913 | I | 42.4 | Very low | 47 | Very low | 105 Ų | 105 | 67 Ų | 67 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -19.8 | 173.6 | -69.3 | 157.5 | 0 | 0 | 0 | 111.3 | E909 G910 L911 R917 | E909-I913 WeakPolarHBondContact O-CB 3.25Å; E909-I913 WeakPolarHBondContact O-CD1 3.4Å; E909-I913 WeakPolarHBondContact O-CG1 3.35Å; E909-I913 PolarHBondContact O-N 3.47Å; G910-I913 PolarHBondContact O-N 2.83Å; L911-I913 VanDerWaalsContact C-N 3.32Å; L911-I913 PolarHBondContact O-N 2.82Å; I913-R917 WeakPolarHBondContact O-CB 3.29Å |
| 914 | S | 39.3 | Very low | 45.1 | Very low | 20 Ų | 20 | 68.7 Ų | 68.7 | 14% | 0.14 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -88.8 | -17.6 | 170.1 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | G910 L911 G912 R918 R944 | G910-S914 PolarHBondContact O-N 3.25Å; G910-S914 PolarHBondContact O-OG 3.08Å; L911-S914 CarbonylContact O-C 3.59Å; L911-S914 VanDerWaalsContact O-CA 3.27Å; L911-S914 WeakPolarHBondContact O-CA 3.24Å; L911-S914 VanDerWaalsContact O-CB 3.27Å; L911-S914 WeakPolarHBondContact O-CB 3.46Å; L911-S914 PolarHBondContact O-N 2.73Å; G912-S914 PolarHBondContact O-N 2.6Å; S914-R918 PolarHBondContact O-NE 2.77Å; S914-R944 PolarHBondContact OG-NH1 3.28Å |
| 915 | F | 36.4 | Very low | 43.4 | Very low | 21 Ų | 21 | 75.3 Ų | 75.3 | 9% | 0.092 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -108.5 | -44.2 | -177.2 | -60.4 | -31.6 | 0 | 0 | 0 | 113.6 | L911 G912 R917 R918 Q919 Y975 | L911-F915 HydrophobicContact CB-CD2 4.28Å; L911-F915 HydrophobicContact CB-CE2 3.87Å; L911-F915 HydrophobicContact CB-CZ 4.43Å; L911-F915 HydrophobicContact CD2-CE2 4.31Å; L911-F915 HydrophobicContact CD2-CZ 4.07Å; L911-F915 WeakPolarHBondContact O-CB 3.25Å; L911-F915 WeakPolarHBondContact O-CD2 3.32Å; L911-F915 WeakPolarHBondContact O-CG 3.44Å; L911-F915 PolarHBondContact O-N 3.31Å; G912-F915 CarbonylContact O-C 3.6Å; G912-F915 PolarHBondContact O-N 2.84Å; F915-R917 VanDerWaalsContact C-N 3.34Å; F915-R918 CarbonylContact O-C 3.58Å; F915-R918 VanDerWaalsContact O-CA 3.26Å; F915-R918 WeakPolarHBondContact O-CA 3.44Å; F915-R918 VanDerWaalsContact O-CB 3.26Å; F915-R918 WeakPolarHBondContact O-CB 3.48Å; F915-R918 PolarHBondContact O-N 3.42Å; F915-Q919 PolarHBondContact O-N 2.95Å; F915-Y975 HydrophobicContact CB-CD2 3.92Å; F915-Y975 HydrophobicContact CB-CG 4.36Å; F915-Y975 HydrophobicContact CD1-CD1 4.13Å; F915-Y975 HydrophobicContact CD1-CD2 4Å; F915-Y975 AromaticContact CD1-CG 3.6Å; F915-Y975 HydrophobicContact CD1-CG 3.6Å; F915-Y975 HydrophobicContact CE1-CD1 4.4Å; F915-Y975 HydrophobicContact CE1-CG 4.07Å; F915-Y975 HydrophobicContact CG-CD2 4.1Å; F915-Y975 HydrophobicContact CG-CG 4.03Å |
| 916 | I | 35.1 | Very low | 41.6 | Very low | 82 Ų | 82 | 78 Ų | 78 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -67.9 | -31.6 | 171.5 | -55.7 | 165.3 | 0 | 0 | 0 | 110.5 | G912 R918 Q919 S920 | G912-I916 WeakPolarHBondContact O-CA 3.41Å; G912-I916 WeakPolarHBondContact O-CB 3.42Å; G912-I916 VanDerWaalsContact O-CG1 3.23Å; G912-I916 WeakPolarHBondContact O-CG1 3.47Å; G912-I916 PolarHBondContact O-N 2.79Å; I916-R918 PolarHBondContact O-N 3.32Å; I916-Q919 CarbonylContact O-C 3.41Å; I916-Q919 WeakPolarHBondContact O-CA 3.46Å; I916-Q919 PolarHBondContact O-N 3.27Å; I916-S920 WeakPolarHBondContact CG2-O 3.36Å |
| 917 | R | 34.6 | Very low | 39.9 | Very low | 200 Ų | 200 | 77.1 Ų | 77.1 | 76% | 0.755 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -63.7 | -7.2 | 164.2 | -176.9 | 164.1 | -77.9 | -170.7 | -3.9 | 113.2 | I913 F915 | I913-R917 WeakPolarHBondContact O-CB 3.29Å; F915-R917 VanDerWaalsContact C-N 3.34Å |
| 918 | R | 31.7 | Very low | 38.1 | Very low | 102 Ų | 102 | 81.4 Ų | 81.4 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -107.5 | 1.3 | 167 | -49.5 | -177.3 | -169 | -145.1 | 10 | 113.3 | H56 S914 F915 I916 Y975 | H56-R918 PolarHBondContact CE1-O 3.39Å; H56-R918 PolarHBondContact NE2-O 3.39Å; S914-R918 PolarHBondContact O-NE 2.77Å; F915-R918 CarbonylContact O-C 3.58Å; F915-R918 VanDerWaalsContact O-CA 3.26Å; F915-R918 WeakPolarHBondContact O-CA 3.44Å; F915-R918 VanDerWaalsContact O-CB 3.26Å; F915-R918 WeakPolarHBondContact O-CB 3.48Å; F915-R918 PolarHBondContact O-N 3.42Å; I916-R918 PolarHBondContact O-N 3.32Å; R918-Y975 HydrophobicContact CB-CE2 4.04Å; R918-Y975 WeakPolarHBondContact CD-OH 3.37Å |
| 919 | Q | 30 | Very low | 36.2 | Very low | 91 Ų | 91 | 87.5 Ų | 87.5 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -153.2 | 94 | 171.4 | -68.4 | -165.7 | -85.7 | 0 | 0 | 112.7 | F915 I916 | F915-Q919 PolarHBondContact O-N 2.95Å; I916-Q919 CarbonylContact O-C 3.41Å; I916-Q919 WeakPolarHBondContact O-CA 3.46Å; I916-Q919 PolarHBondContact O-N 3.27Å |
| 920 | S | 28.3 | Very low | 34.5 | Very low | 60 Ų | 60 | 88.1 Ų | 88.1 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | trans | 71 | 135.2 | 166 | -154 | 0 | 0 | 0 | 0 | 120.2 | I916 | I916-S920 WeakPolarHBondContact CG2-O 3.36Š| ||
| 921 | L | 26.7 | Very low | 33 | Very low | 78 Ų | 78 | 90.4 Ų | 90.4 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | trans | -103.2 | 119.6 | 163.3 | -60.8 | 68.8 | 0 | 0 | 0 | 109.5 | E49 K53 | E49-L921 HydrophobicContact CB-CD1 4Å; E49-L921 HydrophobicContact CB-CD2 3.79Å; E49-L921 HydrophobicContact CG-CD1 4.45Å; E49-L921 HydrophobicContact CG-CD2 3.96Å; K53-L921 WeakPolarHBondContact CE-O 3.35Å; K53-L921 PolarHBondContact NZ-O 3.17Å | ||
| 922 | T | 29.8 | Very low | 31.7 | Very low | 110 Ų | 110 | 93.5 Ų | 93.5 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | trans | 178.5 | 128.5 | 163.4 | 36.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 923 | D | 28.2 | Very low | 30.7 | Very low | 158 Ų | 158 | 93.7 Ų | 93.7 | 85% | 0.845 | 55% | 0.545 | S | S | * | . | cis | -127.4 | 169.9 | 1.9 | -68.5 | -47.9 | 0 | 0 | 0 | 110.6 | ||||
| 924 | G | 28.4 | Very low | 30.1 | Very low | 68 Ų | 68 | 92.1 Ų | 92.1 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | trans | -128.8 | 166.1 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 925 | T | 31 | Very low | 29.6 | Very low | 139 Ų | 139 | 92.1 Ų | 92.1 | 85% | 0.853 | 54% | 0.536 | S | S | * | . | trans | -162 | 129.2 | 149 | 4.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 926 | V | 30.2 | Very low | 29.4 | Very low | 127 Ų | 127 | 91.9 Ų | 91.9 | 77% | 0.77 | 54% | 0.536 | S | S | * | . | trans | 59.3 | 98.8 | 154.5 | -166.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 927 | V | 29.7 | Very low | 29.2 | Very low | 129 Ų | 129 | 89.7 Ų | 89.7 | 78% | 0.782 | 53% | 0.527 | S | S | * | . | 41.1 | 139 | 116.5 | -179.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 928 | P | 27.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 83.1 Ų | 83.1 | 74% | 0.74 | 52% | 0.522 | S | S | * | . | cis | -131.1 | 179.7 | 14.9 | 23.4 | 2.3 | 0 | 0 | 0 | 118.3 | ||||
| 929 | T | 27.1 | Very low | 29.6 | Very low | 130 Ų | 130 | 83.5 Ų | 83.5 | 80% | 0.798 | 53% | 0.528 | S | S | * | . | trans | -55.3 | 176.8 | 166 | 28.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 930 | P | 28.4 | Very low | 30.2 | Very low | 107 Ų | 107 | 83 Ų | 83 | 70% | 0.695 | 52% | 0.523 | S | S | * | . | cis | -137.3 | 131.8 | -13.9 | 28.5 | -6.6 | 0 | 0 | 0 | 116.9 | ||||
| 931 | G | 25.5 | Very low | 31.3 | Very low | 55 Ų | 55 | 81.2 Ų | 81.2 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | trans | 69.1 | 148.4 | 140 | 0 | 0 | 0 | 0 | 0 | 122.2 | N145 | N145-G931 PolarHBondContact ND2-O 2.95Å; N145-G931 WeakPolarHBondContact OD1-CA 3.48Å; N145-G931 PolarHBondContact OD1-O 2.89Å | ||
| 932 | T | 27.7 | Very low | 32.5 | Very low | 67 Ų | 67 | 80.1 Ų | 80.1 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | -157.4 | 169.3 | 113.5 | -28.6 | 0 | 0 | 0 | 0 | 109 | A144 N145 | A144-T932 HydrophobicContact CB-CG2 3.82Å; N145-T932 PolarHBondContact ND2-OG1 2.99Å; N145-T932 WeakPolarHBondContact OD1-CA 3.28Å; N145-T932 PolarHBondContact OD1-N 3Å | |||
| 933 | T | 26.8 | Very low | 33.5 | Very low | 4 Ų | 4 | 78.5 Ų | 78.5 | 3% | 0.025 | 49% | 0.492 | C | S | . | . | trans | -27.6 | 134.1 | 163.3 | 47.3 | 0 | 0 | 0 | 0 | 116.6 | D149 E153 A247 Y940 | D149-T933 WeakPolarHBondContact OD1-CG2 3.5Å; D149-T933 WeakPolarHBondContact OD2-CG2 3.37Å; E153-T933 HydrophobicContact CB-CG2 4.18Å; E153-T933 HydrophobicContact CG-CG2 4.37Å; E153-T933 WeakPolarHBondContact OE1-CA 3.38Å; A247-T933 WeakPolarHBondContact CB-OG1 3.32Å; T933-Y940 WeakPolarHBondContact O-CE2 3.22Å | ||
| 934 | D | 28.7 | Very low | 34.8 | Very low | 72 Ų | 72 | 74.3 Ų | 74.3 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | trans | -123.3 | 19.6 | 163 | -121.6 | -28.1 | 0 | 0 | 0 | 111.6 | E153 L936 S937 Y940 | E153-D934 PolarHBondContact OE1-N 3.03Å; D934-L936 PolarHBondContact O-N 3.48Å; D934-S937 WeakPolarHBondContact O-CB 3.5Å; D934-S937 PolarHBondContact O-N 3.45Å; D934-Y940 WeakPolarHBondContact OD1-CD2 3.47Å | ||
| 935 | L | 29.7 | Very low | 36 | Very low | 21 Ų | 21 | 72.1 Ų | 72.1 | 11% | 0.11 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | -26.3 | 163.5 | -167.4 | 173.4 | 0 | 0 | 0 | 114.4 | E153 R156 S157 | E153-L935 HydrophobicContact CB-CD1 4.34Å; E153-L935 WeakPolarHBondContact OE1-CB 3.43Å; E153-L935 PolarHBondContact OE1-N 3.05Å; E153-L935 WeakPolarHBondContact OE2-CA 3.5Å; E153-L935 VanDerWaalsContact OE2-CB 3.28Å; E153-L935 WeakPolarHBondContact OE2-CB 3.47Å; E153-L935 WeakPolarHBondContact OE2-CD2 3.44Å; R156-L935 HydrophobicContact CB-CD1 4.24Å; R156-L935 HydrophobicContact CB-CD2 3.83Å; R156-L935 HydrophobicContact CG-CD1 4.37Å; R156-L935 HydrophobicContact CG-CD2 3.75Å; R156-L935 HydrophobicContact CG-CG 4.43Å; S157-L935 WeakPolarHBondContact OG-CD2 3.37Å |
| 936 | L | 31 | Very low | 37.2 | Very low | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 24.7 | 177.6 | -42.5 | -174.7 | 0 | 0 | 0 | 111.8 | A247 T251 D934 G938 Q939 Y940 | A247-L936 HydrophobicContact CB-CD1 3.72Å; A247-L936 HydrophobicContact CB-CG 4.16Å; T251-L936 HydrophobicContact CG2-CD1 3.78Å; T251-L936 HydrophobicContact CG2-CD2 3.78Å; T251-L936 HydrophobicContact CG2-CG 4.4Å; T251-L936 WeakPolarHBondContact OG1-CD2 3.16Å; D934-L936 PolarHBondContact O-N 3.48Å; L936-G938 PolarHBondContact O-N 2.88Å; L936-G938 VanDerWaalsContact O-N 3.13Å; L936-Q939 HydrophobicContact CB-CB 3.9Å; L936-Q939 CarbonylContact O-C 3.59Å; L936-Q939 VanDerWaalsContact O-CA 3.25Å; L936-Q939 WeakPolarHBondContact O-CA 3.06Å; L936-Q939 WeakPolarHBondContact O-CB 3.48Å; L936-Q939 PolarHBondContact O-N 3.35Å; L936-Y940 HydrophobicContact CB-CD2 3.61Å; L936-Y940 HydrophobicContact CB-CE2 3.85Å; L936-Y940 HydrophobicContact CB-CG 4.39Å; L936-Y940 HydrophobicContact CD1-CE2 4.08Å; L936-Y940 HydrophobicContact CG-CD2 4.38Å; L936-Y940 HydrophobicContact CG-CE2 4.11Å; L936-Y940 PolarHBondContact O-N 2.83Å |
| 937 | S | 32.6 | Very low | 38.7 | Very low | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -46.9 | -45.7 | -179.9 | 154.9 | 0 | 0 | 0 | 0 | 112.2 | D934 Q939 Y940 D941 | D934-S937 WeakPolarHBondContact O-CB 3.5Å; D934-S937 PolarHBondContact O-N 3.45Å; S937-Q939 PolarHBondContact O-N 2.98Å; S937-Y940 PolarHBondContact O-N 2.79Å; S937-D941 WeakPolarHBondContact O-CA 3.42Å; S937-D941 WeakPolarHBondContact O-CB 3.2Å; S937-D941 VanDerWaalsContact O-CG 3.31Å; S937-D941 PolarHBondContact O-N 3.44Å; S937-D941 PolarHBondContact OG-OD2 2.75Å |
| 938 | G | 35.1 | Very low | 40.2 | Very low | 62 Ų | 62 | 62 Ų | 62 | 64% | 0.639 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.4 | -19.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | L936 V942 | L936-G938 PolarHBondContact O-N 2.88Å; L936-G938 VanDerWaalsContact O-N 3.13Å; G938-V942 WeakPolarHBondContact O-CB 3.49Å; G938-V942 WeakPolarHBondContact O-CG2 3Å |
| 939 | Q | 38.8 | Very low | 41.7 | Very low | 110 Ų | 110 | 58.1 Ų | 58.1 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -104.5 | -38.4 | 177.4 | -142.7 | 94.3 | -8.3 | 0 | 0 | 112.9 | L936 S937 V942 N943 | L936-Q939 HydrophobicContact CB-CB 3.9Å; L936-Q939 CarbonylContact O-C 3.59Å; L936-Q939 VanDerWaalsContact O-CA 3.25Å; L936-Q939 WeakPolarHBondContact O-CA 3.06Å; L936-Q939 WeakPolarHBondContact O-CB 3.48Å; L936-Q939 PolarHBondContact O-N 3.35Å; S937-Q939 PolarHBondContact O-N 2.98Å; Q939-V942 CarbonylContact O-C 3.56Å; Q939-V942 PolarHBondContact O-N 2.65Å; Q939-N943 VanDerWaalsContact O-CB 3.29Å; Q939-N943 WeakPolarHBondContact O-CB 3.4Å; Q939-N943 PolarHBondContact O-N 3.03Å; Q939-N943 PolarHBondContact O-ND2 2.78Å |
| 940 | Y | 42 | Very low | 43.1 | Very low | 82 Ų | 82 | 60.3 Ų | 60.3 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.4 | -42.7 | 177.3 | -86.3 | -55.1 | 0 | 0 | 0 | 110.9 | A247 T933 D934 L936 S937 V942 N943 R944 | A247-Y940 HydrophobicContact CB-CE2 4.38Å; T933-Y940 WeakPolarHBondContact O-CE2 3.22Å; D934-Y940 WeakPolarHBondContact OD1-CD2 3.47Å; L936-Y940 HydrophobicContact CB-CD2 3.61Å; L936-Y940 HydrophobicContact CB-CE2 3.85Å; L936-Y940 HydrophobicContact CB-CG 4.39Å; L936-Y940 HydrophobicContact CD1-CE2 4.08Å; L936-Y940 HydrophobicContact CG-CD2 4.38Å; L936-Y940 HydrophobicContact CG-CE2 4.11Å; L936-Y940 PolarHBondContact O-N 2.83Å; S937-Y940 PolarHBondContact O-N 2.79Å; Y940-V942 VanDerWaalsContact C-N 3.27Å; Y940-V942 PolarHBondContact O-N 3.45Å; Y940-N943 CarbonylContact O-C 3.59Å; Y940-N943 PolarHBondContact O-N 2.79Å; Y940-N943 VanDerWaalsContact O-N 3.11Å; Y940-R944 VanDerWaalsContact O-CB 3.27Å; Y940-R944 WeakPolarHBondContact O-CB 3.44Å; Y940-R944 WeakPolarHBondContact O-CG 3.44Å; Y940-R944 PolarHBondContact O-N 2.79Å |
| 941 | D | 52.5 | Low | 44.7 | Very low | 22 Ų | 22 | 55.4 Ų | 55.4 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 170.2 | -64.7 | -47.3 | 0 | 0 | 0 | 109.7 | L911 S937 N943 M945 | L911-D941 WeakPolarHBondContact CD2-OD1 3.25Å; S937-D941 WeakPolarHBondContact O-CA 3.42Å; S937-D941 WeakPolarHBondContact O-CB 3.2Å; S937-D941 VanDerWaalsContact O-CG 3.31Å; S937-D941 PolarHBondContact O-N 3.44Å; S937-D941 PolarHBondContact OG-OD2 2.75Å; D941-N943 PolarHBondContact O-N 2.84Å; D941-M945 WeakPolarHBondContact O-CA 3.07Å; D941-M945 WeakPolarHBondContact O-CB 3.47Å; D941-M945 PolarHBondContact O-N 2.94Å |
| 942 | V | 51.1 | Low | 46.4 | Very low | 54 Ų | 54 | 53 Ų | 53 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 170.7 | 161.1 | 0 | 0 | 0 | 0 | 112.6 | G938 Q939 Y940 K946 | G938-V942 WeakPolarHBondContact O-CB 3.49Å; G938-V942 WeakPolarHBondContact O-CG2 3Å; Q939-V942 CarbonylContact O-C 3.56Å; Q939-V942 PolarHBondContact O-N 2.65Å; Y940-V942 VanDerWaalsContact C-N 3.27Å; Y940-V942 PolarHBondContact O-N 3.45Å; V942-K946 HydrophobicContact CG1-CD 4.26Å; V942-K946 VanDerWaalsContact CG1-CE 3.43Å; V942-K946 VanDerWaalsContact O-CB 3.29Å; V942-K946 WeakPolarHBondContact O-CB 3.45Å; V942-K946 WeakPolarHBondContact O-CD 3.48Å; V942-K946 WeakPolarHBondContact O-CG 3.46Å; V942-K946 PolarHBondContact O-N 2.82Å |
| 943 | N | 50.6 | Low | 47.8 | Very low | 77 Ų | 77 | 51.5 Ų | 51.5 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -83.1 | -36 | -179.3 | -73 | -19.2 | 0 | 0 | 0 | 113.4 | Q939 Y940 D941 K946 L947 | Q939-N943 VanDerWaalsContact O-CB 3.29Å; Q939-N943 WeakPolarHBondContact O-CB 3.4Å; Q939-N943 PolarHBondContact O-N 3.03Å; Q939-N943 PolarHBondContact O-ND2 2.78Å; Y940-N943 CarbonylContact O-C 3.59Å; Y940-N943 PolarHBondContact O-N 2.79Å; Y940-N943 VanDerWaalsContact O-N 3.11Å; D941-N943 PolarHBondContact O-N 2.84Å; N943-K946 PolarHBondContact OD1-NZ 3.2Å; N943-L947 WeakPolarHBondContact O-CB 3.41Å; N943-L947 PolarHBondContact O-N 3.02Å |
| 944 | R | 55.9 | Low | 49.1 | Very low | 70 Ų | 70 | 58.8 Ų | 58.8 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 168.4 | -77.8 | 171.5 | 153.6 | -166.6 | -9.4 | 110.9 | G910 L911 S914 Y940 L947 L948 | G910-R944 VanDerWaalsContact C-NH1 3.26Å; G910-R944 PolarHBondContact O-NH1 3.07Å; G910-R944 PolarHBondContact O-NH2 3.49Å; L911-R944 HydrophobicContact CD2-CB 4.37Å; L911-R944 HydrophobicContact CG-CB 4.49Å; S914-R944 PolarHBondContact OG-NH1 3.28Å; Y940-R944 VanDerWaalsContact O-CB 3.27Å; Y940-R944 WeakPolarHBondContact O-CB 3.44Å; Y940-R944 WeakPolarHBondContact O-CG 3.44Å; Y940-R944 PolarHBondContact O-N 2.79Å; R944-L947 CarbonylContact O-C 3.57Å; R944-L947 WeakPolarHBondContact O-CA 3.33Å; R944-L947 VanDerWaalsContact O-CB 3.32Å; R944-L947 WeakPolarHBondContact O-CB 3.36Å; R944-L947 PolarHBondContact O-N 3.14Å; R944-L948 PolarHBondContact O-N 2.55Å |
| 945 | M | 54 | Low | 50.2 | Low | 22 Ų | 22 | 63.1 Ų | 63.1 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 173 | -172.2 | 157.6 | 11.8 | 0 | 0 | 110.7 | D941 L947 L948 T949 L979 K982 | D941-M945 WeakPolarHBondContact O-CA 3.07Å; D941-M945 WeakPolarHBondContact O-CB 3.47Å; D941-M945 PolarHBondContact O-N 2.94Å; M945-L947 PolarHBondContact O-N 3.48Å; M945-L948 PolarHBondContact O-N 3.3Å; M945-L948 VanDerWaalsContact O-N 3.09Å; M945-T949 WeakPolarHBondContact O-CB 3.41Å; M945-T949 PolarHBondContact O-N 3.23Å; M945-T949 PolarHBondContact O-OG1 2.87Å; M945-L979 HydrophobicContact CG-CD1 3.86Å; M945-L979 HydrophobicContact SD-CD1 3.57Å; M945-L979 VanDerWaalsContact SD-CD1 3.57Å; M945-K982 HydrophobicContact CE-CD 3.36Å; M945-K982 HydrophobicContact SD-CB 3.51Å; M945-K982 VanDerWaalsContact SD-CB 3.51Å; M945-K982 HydrophobicContact SD-CD 3.31Å; M945-K982 WeakPolarHBondContact SD-CD 3.42Å; M945-K982 HydrophobicContact SD-CG 4Å |
| 946 | K | 55.3 | Low | 51.3 | Low | 107 Ų | 107 | 62.9 Ų | 62.9 | 47% | 0.465 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -52.8 | -23.6 | 167.2 | -77.8 | 168 | -164.2 | 160.3 | 0 | 113.6 | V942 N943 T949 R950 | V942-K946 HydrophobicContact CG1-CD 4.26Å; V942-K946 VanDerWaalsContact CG1-CE 3.43Å; V942-K946 VanDerWaalsContact O-CB 3.29Å; V942-K946 WeakPolarHBondContact O-CB 3.45Å; V942-K946 WeakPolarHBondContact O-CD 3.48Å; V942-K946 WeakPolarHBondContact O-CG 3.46Å; V942-K946 PolarHBondContact O-N 2.82Å; N943-K946 PolarHBondContact OD1-NZ 3.2Å; K946-T949 WeakPolarHBondContact O-CB 3.43Å; K946-R950 WeakPolarHBondContact O-CB 3.43Å; K946-R950 WeakPolarHBondContact O-CD 3.48Å; K946-R950 WeakPolarHBondContact O-CG 3.44Å; K946-R950 PolarHBondContact O-N 2.9Å |
| 947 | L | 62.4 | Low | 52.4 | Low | 72 Ų | 72 | 63.7 Ų | 63.7 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -84.7 | -44.8 | 175.5 | -168.9 | 59.9 | 0 | 0 | 0 | 112.1 | I907 N943 R944 M945 R950 L951 | I907-L947 HydrophobicContact CD1-CD2 3.49Å; I907-L947 VanDerWaalsContact CD1-CD2 3.49Å; I907-L947 HydrophobicContact CD1-CG 3.8Å; I907-L947 HydrophobicContact CG1-CD2 4.18Å; N943-L947 WeakPolarHBondContact O-CB 3.41Å; N943-L947 PolarHBondContact O-N 3.02Å; R944-L947 CarbonylContact O-C 3.57Å; R944-L947 WeakPolarHBondContact O-CA 3.33Å; R944-L947 VanDerWaalsContact O-CB 3.32Å; R944-L947 WeakPolarHBondContact O-CB 3.36Å; R944-L947 PolarHBondContact O-N 3.14Å; M945-L947 PolarHBondContact O-N 3.48Å; L947-R950 WeakPolarHBondContact O-CB 3.47Å; L947-R950 PolarHBondContact O-N 3.26Å; L947-L951 HydrophobicContact CG-CD1 4.34Å; L947-L951 WeakPolarHBondContact O-CG 3.33Å; L947-L951 PolarHBondContact O-N 2.96Å |
| 948 | L | 62.1 | Low | 53.5 | Low | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.7 | -53.6 | 167.7 | -68.7 | 178.1 | 0 | 0 | 0 | 110.5 | F904 I907 L908 L911 R944 M945 R950 L951 T952 L965 L979 | F904-L948 HydrophobicContact CD2-CD2 3.56Å; F904-L948 HydrophobicContact CE1-CD2 4.39Å; F904-L948 HydrophobicContact CE2-CB 4.2Å; F904-L948 HydrophobicContact CE2-CD2 3.39Å; F904-L948 HydrophobicContact CE2-CG 4.39Å; F904-L948 HydrophobicContact CG-CD2 4.16Å; F904-L948 HydrophobicContact CZ-CD2 3.85Å; I907-L948 HydrophobicContact CB-CD2 4.17Å; I907-L948 HydrophobicContact CG2-CD2 3.62Å; I907-L948 HydrophobicContact CG2-CG 3.83Å; L908-L948 HydrophobicContact CD2-CD1 4.25Å; L908-L948 HydrophobicContact CD2-CD2 4.29Å; L908-L948 HydrophobicContact CG-CD2 4.25Å; L911-L948 HydrophobicContact CD1-CD1 3.41Å; L911-L948 VanDerWaalsContact CD1-CD1 3.41Å; L911-L948 HydrophobicContact CD1-CG 4.22Å; R944-L948 PolarHBondContact O-N 2.55Å; M945-L948 PolarHBondContact O-N 3.3Å; M945-L948 VanDerWaalsContact O-N 3.09Å; L948-R950 PolarHBondContact O-N 3.39Å; L948-R950 VanDerWaalsContact O-N 3.08Å; L948-L951 PolarHBondContact O-N 2.98Å; L948-T952 WeakPolarHBondContact O-CG2 3.41Å; L948-T952 PolarHBondContact O-N 3.33Å; L948-T952 PolarHBondContact O-OG1 3.36Å; L948-T952 VanDerWaalsContact O-OG1 3.09Å; L948-L965 HydrophobicContact CD1-CD1 3.97Å; L948-L979 HydrophobicContact CD1-CD1 3.98Å; L948-L979 HydrophobicContact CD1-CD2 4.33Å |
| 949 | T | 58.3 | Low | 54.7 | Low | 33 Ų | 33 | 64.8 Ų | 64.8 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -40.1 | -37.2 | 166.9 | -76.6 | 0 | 0 | 0 | 0 | 114.5 | M945 K946 T952 T953 Q986 | M945-T949 WeakPolarHBondContact O-CB 3.41Å; M945-T949 PolarHBondContact O-N 3.23Å; M945-T949 PolarHBondContact O-OG1 2.87Å; K946-T949 WeakPolarHBondContact O-CB 3.43Å; T949-T952 PolarHBondContact O-OG1 2.81Å; T949-T953 WeakPolarHBondContact O-CG2 3.29Å; T949-Q986 PolarHBondContact OG1-OE1 2.84Å |
| 950 | R | 57.6 | Low | 55.9 | Low | 176 Ų | 176 | 62.9 Ų | 62.9 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -86.5 | -40.2 | 179.9 | -83.1 | 172 | 171.9 | -166.2 | -3.3 | 111.7 | K946 L947 L948 T953 | K946-R950 WeakPolarHBondContact O-CB 3.43Å; K946-R950 WeakPolarHBondContact O-CD 3.48Å; K946-R950 WeakPolarHBondContact O-CG 3.44Å; K946-R950 PolarHBondContact O-N 2.9Å; L947-R950 WeakPolarHBondContact O-CB 3.47Å; L947-R950 PolarHBondContact O-N 3.26Å; L948-R950 PolarHBondContact O-N 3.39Å; L948-R950 VanDerWaalsContact O-N 3.08Å; R950-T953 WeakPolarHBondContact O-CB 3.5Å; R950-T953 WeakPolarHBondContact O-CG2 2.97Å; R950-T953 PolarHBondContact O-N 3.42Å; R950-T953 PolarHBondContact O-OG1 2.97Å |
| 951 | L | 61.1 | Low | 57.1 | Low | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -34.5 | 177.6 | -70.2 | 167.7 | 0 | 0 | 0 | 112.4 | L884 F904 I907 L947 L948 T953 F956 | L884-L951 HydrophobicContact CD2-CD2 3.54Å; F904-L951 HydrophobicContact CB-CD1 4.44Å; F904-L951 HydrophobicContact CD2-CB 3.75Å; F904-L951 HydrophobicContact CD2-CD1 3.9Å; F904-L951 HydrophobicContact CD2-CG 4.48Å; F904-L951 HydrophobicContact CE2-CB 4.14Å; I907-L951 HydrophobicContact CD1-CD1 3.45Å; I907-L951 VanDerWaalsContact CD1-CD1 3.45Å; L947-L951 HydrophobicContact CG-CD1 4.34Å; L947-L951 WeakPolarHBondContact O-CG 3.33Å; L947-L951 PolarHBondContact O-N 2.96Å; L948-L951 PolarHBondContact O-N 2.98Å; L951-T953 PolarHBondContact O-N 3.37Å; L951-F956 HydrophobicContact CD2-CD2 4.41Å; L951-F956 HydrophobicContact CD2-CE2 4.32Å |
| 952 | T | 60.1 | Low | 58 | Low | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -9 | 173.8 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | F904 L948 T949 F961 Y962 L965 | F904-T952 HydrophobicContact CE2-CG2 3.8Å; F904-T952 HydrophobicContact CZ-CG2 3.89Å; L948-T952 WeakPolarHBondContact O-CG2 3.41Å; L948-T952 PolarHBondContact O-N 3.33Å; L948-T952 PolarHBondContact O-OG1 3.36Å; L948-T952 VanDerWaalsContact O-OG1 3.09Å; T949-T952 PolarHBondContact O-OG1 2.81Å; T952-F961 HydrophobicContact CG2-CB 4.15Å; T952-Y962 HydrophobicContact CG2-CD1 4.37Å; T952-Y962 HydrophobicContact CG2-CD2 4.29Å; T952-Y962 HydrophobicContact CG2-CE1 4.2Å; T952-Y962 HydrophobicContact CG2-CE2 4.12Å; T952-Y962 HydrophobicContact CG2-CG 4.41Å; T952-Y962 WeakPolarHBondContact O-CE2 3.43Å; T952-L965 HydrophobicContact CG2-CD2 4.17Å |
| 953 | T | 57.2 | Low | 58.9 | Low | 36 Ų | 36 | 59.7 Ų | 59.7 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -66.3 | 159.7 | 176.3 | 68.5 | 0 | 0 | 0 | 0 | 112.4 | T949 R950 L951 R955 F956 | T949-T953 WeakPolarHBondContact O-CG2 3.29Å; R950-T953 WeakPolarHBondContact O-CB 3.5Å; R950-T953 WeakPolarHBondContact O-CG2 2.97Å; R950-T953 PolarHBondContact O-N 3.42Å; R950-T953 PolarHBondContact O-OG1 2.97Å; L951-T953 PolarHBondContact O-N 3.37Å; T953-R955 PolarHBondContact O-N 3.33Å; T953-F956 PolarHBondContact O-N 2.96Å |
| 954 | R | 54.9 | Low | 60 | Low | 157 Ų | 157 | 58.7 Ų | 58.7 | 59% | 0.592 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -11.1 | -170.3 | -64.2 | -172.1 | -174 | 155.6 | 7.8 | 116.3 | D1172 C1175 | R954-D1172 IonicContact CZ-OD1 3.01Å; R954-D1172 IonicContact NH1-OD1 2.65Å; R954-D1172 PolarHBondContact NH1-OD1 3.31Å; R954-D1172 IonicContact NH2-OD1 2.94Å; R954-D1172 PolarHBondContact NH2-OD1 3.36Å; R954-C1175 PolarHBondContact NH2-SG 2.96Å |
| 955 | R | 52.9 | Low | 60.7 | Low | 163 Ų | 163 | 55.4 Ų | 55.4 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -42 | -180 | -65.9 | -173.5 | -175.8 | -109.5 | 2.1 | 114.1 | D885 T953 | D885-R955 WeakPolarHBondContact OD1-CD 3.39Å; D885-R955 IonicContact OD1-CZ 3.38Å; D885-R955 IonicContact OD1-NE 3.72Å; D885-R955 PolarHBondContact OD1-NE 3.19Å; D885-R955 IonicContact OD1-NH1 2.71Å; D885-R955 PolarHBondContact OD1-NH1 3.31Å; D885-R955 IonicContact OD1-NH2 3.1Å; D885-R955 IonicContact OD2-CZ 3.26Å; D885-R955 IonicContact OD2-NE 2.77Å; D885-R955 IonicContact OD2-NH1 3.79Å; D885-R955 PolarHBondContact OD2-NH1 2.81Å; D885-R955 IonicContact OD2-NH2 2.95Å; D885-R955 PolarHBondContact OD2-NH2 2.73Å; D885-R955 VanDerWaalsContact OD2-NH2 3.16Å; T953-R955 PolarHBondContact O-N 3.33Å |
| 956 | F | 52.5 | Low | 61.6 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -12.7 | -170.7 | -66.9 | -76.5 | 0 | 0 | 0 | 115 | L884 T888 A900 L951 T953 F961 | L884-F956 HydrophobicContact CD2-CE2 3.77Å; L884-F956 HydrophobicContact CD2-CZ 3.65Å; L884-F956 HydrophobicContact CG-CZ 4.31Å; T888-F956 HydrophobicContact CG2-CE1 4.14Å; T888-F956 HydrophobicContact CG2-CZ 4.2Å; A900-F956 HydrophobicContact CB-CB 4.33Å; A900-F956 HydrophobicContact CB-CD1 3.45Å; A900-F956 VanDerWaalsContact CB-CD1 3.45Å; A900-F956 HydrophobicContact CB-CE1 3.97Å; A900-F956 HydrophobicContact CB-CG 3.96Å; L951-F956 HydrophobicContact CD2-CD2 4.41Å; L951-F956 HydrophobicContact CD2-CE2 4.32Å; T953-F956 PolarHBondContact O-N 2.96Å; F956-F961 HydrophobicContact CB-CD2 4.39Å; F956-F961 HydrophobicContact CB-CE2 3.74Å; F956-F961 HydrophobicContact CB-CZ 4.16Å |
| 957 | G | 53.4 | Low | 62.4 | Low | 33 Ų | 33 | 52.2 Ų | 52.2 | 34% | 0.34 | 25% | 0.25 | S | S | . | . | trans | 102.5 | 63.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N959 E960 | G957-N959 VanDerWaalsContact C-N 3.34Å; G957-N959 PolarHBondContact O-N 3.01Å; G957-E960 PolarHBondContact O-N 3.29Å | ||
| 958 | G | 55.8 | Low | 62.8 | Low | 10 Ų | 10 | 50.2 Ų | 50.2 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -42.9 | -48.3 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | E960 F961 Y962 | G958-E960 PolarHBondContact O-N 3.2Å; G958-F961 WeakPolarHBondContact O-CA 3.43Å; G958-F961 WeakPolarHBondContact O-CB 3.24Å; G958-F961 PolarHBondContact O-N 3.47Å; G958-Y962 VanDerWaalsContact O-CD2 3.24Å; G958-Y962 WeakPolarHBondContact O-CD2 3.49Å; G958-Y962 PolarHBondContact O-N 2.65Å |
| 959 | N | 59.9 | Low | 63.2 | Low | 110 Ų | 110 | 50.1 Ų | 50.1 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -50.6 | -38.4 | -170.4 | -60.3 | 22 | 0 | 0 | 0 | 114.3 | G957 N963 | G957-N959 VanDerWaalsContact C-N 3.34Å; G957-N959 PolarHBondContact O-N 3.01Å; N959-N963 PolarHBondContact O-N 3Å; N959-N963 PolarHBondContact O-ND2 3.31Å |
| 960 | E | 64.7 | Low | 63.7 | Low | 70 Ų | 70 | 49.4 Ų | 49.4 | 33% | 0.327 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -48.9 | 176.3 | -63.2 | -174.3 | 173.4 | 0 | 0 | 111.4 | R901 G957 G958 Y962 N963 I964 | R901-E960 IonicContact CZ-OE2 2.93Å; R901-E960 IonicContact NE-OE2 3.45Å; R901-E960 PolarHBondContact NE-OE2 3.45Å; R901-E960 IonicContact NH2-OE1 3.96Å; R901-E960 PolarHBondContact NH2-OE1 3.03Å; R901-E960 IonicContact NH2-OE2 3.24Å; R901-E960 PolarHBondContact NH2-OE2 3.28Å; G957-E960 PolarHBondContact O-N 3.29Å; G958-E960 PolarHBondContact O-N 3.2Å; E960-Y962 PolarHBondContact O-N 3.36Å; E960-N963 PolarHBondContact O-N 3.19Å; E960-I964 VanDerWaalsContact O-CG1 3.29Å; E960-I964 WeakPolarHBondContact O-CG1 3.28Å; E960-I964 PolarHBondContact O-N 2.83Å |
| 961 | F | 67.4 | Low | 64.4 | Low | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | -179.6 | -63.9 | -82 | 0 | 0 | 0 | 112 | A900 R901 F904 T952 F956 G958 L965 | A900-F961 HydrophobicContact CB-CE1 4.17Å; A900-F961 HydrophobicContact CB-CZ 3.76Å; R901-F961 HydrophobicContact CB-CE1 4.48Å; R901-F961 HydrophobicContact CG-CE1 4.01Å; R901-F961 HydrophobicContact CG-CZ 3.91Å; F904-F961 HydrophobicContact CB-CD1 3.74Å; F904-F961 HydrophobicContact CB-CE1 3.81Å; F904-F961 HydrophobicContact CD1-CB 4.49Å; F904-F961 AromaticContact CD1-CD1 3.73Å; F904-F961 HydrophobicContact CD1-CD1 3.73Å; F904-F961 AromaticContact CD2-CD1 3.78Å; F904-F961 HydrophobicContact CD2-CD1 3.78Å; F904-F961 HydrophobicContact CE1-CB 4.03Å; F904-F961 HydrophobicContact CE1-CD1 4.12Å; F904-F961 VanDerWaalsContact CE1-O 3.22Å; F904-F961 WeakPolarHBondContact CE1-O 3.37Å; F904-F961 HydrophobicContact CE2-CB 4.1Å; F904-F961 HydrophobicContact CE2-CD1 4.18Å; F904-F961 AromaticContact CG-CD1 3.51Å; F904-F961 HydrophobicContact CG-CD1 3.51Å; F904-F961 HydrophobicContact CG-CE1 4.12Å; F904-F961 HydrophobicContact CZ-CB 3.8Å; F904-F961 HydrophobicContact CZ-CD1 4.32Å; F904-F961 WeakPolarHBondContact CZ-O 3.21Å; T952-F961 HydrophobicContact CG2-CB 4.15Å; F956-F961 HydrophobicContact CB-CD2 4.39Å; F956-F961 HydrophobicContact CB-CE2 3.74Å; F956-F961 HydrophobicContact CB-CZ 4.16Å; G958-F961 WeakPolarHBondContact O-CA 3.43Å; G958-F961 WeakPolarHBondContact O-CB 3.24Å; G958-F961 PolarHBondContact O-N 3.47Å; F961-L965 WeakPolarHBondContact O-CB 3.28Å; F961-L965 PolarHBondContact O-N 3.39Å |
| 962 | Y | 70.9 | Confident | 64.6 | Low | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | 172.9 | -76.1 | -83.1 | 0 | 0 | 0 | 111.7 | T952 G958 E960 I964 L965 I966 L983 E987 F1178 L1182 | T952-Y962 HydrophobicContact CG2-CD1 4.37Å; T952-Y962 HydrophobicContact CG2-CD2 4.29Å; T952-Y962 HydrophobicContact CG2-CE1 4.2Å; T952-Y962 HydrophobicContact CG2-CE2 4.12Å; T952-Y962 HydrophobicContact CG2-CG 4.41Å; T952-Y962 WeakPolarHBondContact O-CE2 3.43Å; G958-Y962 VanDerWaalsContact O-CD2 3.24Å; G958-Y962 WeakPolarHBondContact O-CD2 3.49Å; G958-Y962 PolarHBondContact O-N 2.65Å; E960-Y962 PolarHBondContact O-N 3.36Å; Y962-I964 PolarHBondContact O-N 3.42Å; Y962-L965 PolarHBondContact O-N 3.44Å; Y962-I966 WeakPolarHBondContact O-CB 3.4Å; Y962-I966 VanDerWaalsContact O-CD1 3.28Å; Y962-I966 WeakPolarHBondContact O-CD1 3.21Å; Y962-I966 WeakPolarHBondContact O-CG1 3.49Å; Y962-I966 PolarHBondContact O-N 2.93Å; Y962-L983 HydrophobicContact CD1-CD1 4.29Å; Y962-L983 HydrophobicContact CD1-CD2 3.96Å; Y962-L983 HydrophobicContact CD1-CG 4.32Å; Y962-L983 HydrophobicContact CE1-CD1 3.68Å; Y962-L983 HydrophobicContact CE1-CD2 4.12Å; Y962-L983 HydrophobicContact CE1-CG 3.96Å; Y962-E987 HydrophobicContact CE1-CG 4.47Å; Y962-E987 VanDerWaalsContact OH-CD 3.28Å; Y962-E987 PolarHBondContact OH-OE1 3.16Å; Y962-F1178 AromaticContact CD1-CE1 3.94Å; Y962-F1178 HydrophobicContact CD1-CE1 3.94Å; Y962-F1178 AromaticContact CD1-CZ 3.91Å; Y962-F1178 HydrophobicContact CD1-CZ 3.91Å; Y962-F1178 AromaticContact CD2-CE1 3.81Å; Y962-F1178 HydrophobicContact CD2-CE1 3.81Å; Y962-F1178 HydrophobicContact CD2-CE2 4.04Å; Y962-F1178 AromaticContact CD2-CZ 3.19Å; Y962-F1178 HydrophobicContact CD2-CZ 3.19Å; Y962-F1178 AromaticContact CE1-CE1 3.59Å; Y962-F1178 HydrophobicContact CE1-CE1 3.59Å; Y962-F1178 AromaticContact CE1-CZ 3.97Å; Y962-F1178 HydrophobicContact CE1-CZ 3.97Å; Y962-F1178 HydrophobicContact CE2-CD1 4.48Å; Y962-F1178 AromaticContact CE2-CE1 3.45Å; Y962-F1178 HydrophobicContact CE2-CE1 3.45Å; Y962-F1178 VanDerWaalsContact CE2-CE1 3.45Å; Y962-F1178 HydrophobicContact CE2-CE2 4.13Å; Y962-F1178 AromaticContact CE2-CZ 3.26Å; Y962-F1178 HydrophobicContact CE2-CZ 3.26Å; Y962-F1178 HydrophobicContact CG-CE1 4.05Å; Y962-F1178 AromaticContact CG-CZ 3.54Å; Y962-F1178 HydrophobicContact CG-CZ 3.54Å; Y962-F1178 AromaticContact CZ-CE1 3.34Å; Y962-F1178 AromaticContact CZ-CZ 3.68Å; Y962-L1182 HydrophobicContact CD1-CD1 3.94Å; Y962-L1182 HydrophobicContact CD1-CD2 4.44Å; Y962-L1182 HydrophobicContact CE1-CD2 4.22Å |
| 963 | N | 70 | Confident | 65 | Low | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -47.3 | 177.2 | -75 | -17.7 | 0 | 0 | 0 | 111.9 | N959 E960 L965 I966 D967 | N959-N963 PolarHBondContact O-N 3Å; N959-N963 PolarHBondContact O-ND2 3.31Å; E960-N963 PolarHBondContact O-N 3.19Å; N963-L965 VanDerWaalsContact C-N 3.34Å; N963-L965 PolarHBondContact O-N 2.73Å; N963-I966 PolarHBondContact O-N 2.7Å; N963-D967 PolarHBondContact O-N 3.22Å |
| 964 | I | 72.7 | Confident | 65.3 | Low | 57 Ų | 57 | 52.6 Ų | 52.6 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.1 | -64 | 164.1 | 0 | 0 | 0 | 111.2 | F904 M905 L908 E960 Y962 H968 | F904-I964 HydrophobicContact CE1-CG2 4.49Å; M905-I964 HydrophobicContact SD-CG2 3.68Å; L908-I964 HydrophobicContact CD1-CG2 3.67Å; E960-I964 VanDerWaalsContact O-CG1 3.29Å; E960-I964 WeakPolarHBondContact O-CG1 3.28Å; E960-I964 PolarHBondContact O-N 2.83Å; Y962-I964 PolarHBondContact O-N 3.42Å; I964-H968 WeakPolarHBondContact O-CB 3.17Å; I964-H968 PolarHBondContact O-N 3.41Å |
| 965 | L | 70.7 | Confident | 65.7 | Low | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 177.2 | 175.9 | 58.2 | 0 | 0 | 0 | 112.5 | F904 L908 L948 T952 F961 Y962 N963 A969 L979 L983 | F904-L965 HydrophobicContact CE1-CB 3.98Å; F904-L965 HydrophobicContact CZ-CB 3.87Å; F904-L965 HydrophobicContact CZ-CD2 4.11Å; F904-L965 HydrophobicContact CZ-CG 4.46Å; L908-L965 HydrophobicContact CD2-CD1 3.74Å; L948-L965 HydrophobicContact CD1-CD1 3.97Å; T952-L965 HydrophobicContact CG2-CD2 4.17Å; F961-L965 WeakPolarHBondContact O-CB 3.28Å; F961-L965 PolarHBondContact O-N 3.39Å; Y962-L965 PolarHBondContact O-N 3.44Å; N963-L965 VanDerWaalsContact C-N 3.34Å; N963-L965 PolarHBondContact O-N 2.73Å; L965-A969 WeakPolarHBondContact O-CB 3.23Å; L965-A969 PolarHBondContact O-N 3.02Å; L965-L979 HydrophobicContact CD1-CD1 4.38Å; L965-L979 HydrophobicContact CD1-CD2 3.65Å; L965-L979 HydrophobicContact CD1-CG 3.99Å; L965-L983 HydrophobicContact CD2-CD1 3.75Å; L965-L983 HydrophobicContact CD2-CD2 3.44Å; L965-L983 VanDerWaalsContact CD2-CD2 3.44Å; L965-L983 HydrophobicContact CD2-CG 4.23Å; L965-L983 HydrophobicContact CG-CD2 4.01Å |
| 966 | I | 72.8 | Confident | 66.5 | Low | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -45.9 | 176.8 | -64.9 | 157.7 | 0 | 0 | 0 | 110 | Y962 N963 A969 I970 L980 L1182 A1185 I1186 K1189 | Y962-I966 WeakPolarHBondContact O-CB 3.4Å; Y962-I966 VanDerWaalsContact O-CD1 3.28Å; Y962-I966 WeakPolarHBondContact O-CD1 3.21Å; Y962-I966 WeakPolarHBondContact O-CG1 3.49Å; Y962-I966 PolarHBondContact O-N 2.93Å; N963-I966 PolarHBondContact O-N 2.7Å; I966-A969 PolarHBondContact O-N 3.43Å; I966-I970 HydrophobicContact CG2-CD1 3.63Å; I966-I970 HydrophobicContact CG2-CG1 4.31Å; I966-I970 WeakPolarHBondContact O-CB 3.41Å; I966-I970 WeakPolarHBondContact O-CG1 3.31Å; I966-I970 PolarHBondContact O-N 2.83Å; I966-L980 HydrophobicContact CG1-CD2 4.14Å; I966-L1182 HydrophobicContact CD1-CD1 3.7Å; I966-L1182 HydrophobicContact CG1-CD1 4.11Å; I966-A1185 HydrophobicContact CD1-CB 4.23Å; I966-I1186 HydrophobicContact CD1-CG1 4.36Å; I966-I1186 HydrophobicContact CG1-CG1 4.08Å; I966-I1186 HydrophobicContact CG2-CG1 4.09Å; I966-K1189 HydrophobicContact CG2-CD 3.6Å |
| 967 | D | 74 | Confident | 67.5 | Low | 61 Ų | 61 | 39 Ų | 39 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.4 | -42 | 178.4 | -82.2 | -50.7 | 0 | 0 | 0 | 112.1 | N963 A969 I970 Q971 K1189 | N963-D967 PolarHBondContact O-N 3.22Å; D967-A969 PolarHBondContact O-N 2.83Å; D967-I970 PolarHBondContact O-N 3.37Å; D967-Q971 WeakPolarHBondContact O-CB 3.28Å; D967-Q971 WeakPolarHBondContact O-CG 3.48Å; D967-Q971 PolarHBondContact O-N 2.98Å; D967-K1189 IonicContact OD1-NZ 3.71Å; D967-K1189 PolarHBondContact OD1-NZ 2.9Å; D967-K1189 IonicContact OD2-NZ 2.83Å; D967-K1189 PolarHBondContact OD2-NZ 3.49Å |
| 968 | H | 68.9 | Low | 68.3 | Low | 29 Ų | 29 | 42.1 Ų | 42.1 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.9 | -174 | 89.4 | 0 | 0 | 0 | 112.6 | L908 I964 N972 | L908-H968 HydrophobicContact CD1-CB 4.24Å; L908-H968 HydrophobicContact CD2-CB 4.35Å; L908-H968 PolarHBondContact O-NE2 2.97Å; I964-H968 WeakPolarHBondContact O-CB 3.17Å; I964-H968 PolarHBondContact O-N 3.41Å; H968-N972 PolarHBondContact O-N 3.39Å; H968-N972 PolarHBondContact O-ND2 3.4Å |
| 969 | A | 70.5 | Confident | 69 | Low | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.7 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L965 I966 D967 N972 L973 G976 L980 | L965-A969 WeakPolarHBondContact O-CB 3.23Å; L965-A969 PolarHBondContact O-N 3.02Å; I966-A969 PolarHBondContact O-N 3.43Å; D967-A969 PolarHBondContact O-N 2.83Å; A969-N972 CarbonylContact O-C 3.56Å; A969-N972 PolarHBondContact O-N 3.07Å; A969-L973 WeakPolarHBondContact O-CA 3.46Å; A969-L973 PolarHBondContact O-N 2.81Å; A969-L973 VanDerWaalsContact O-N 3.12Å; A969-G976 WeakPolarHBondContact O-CA 3.26Å; A969-L980 HydrophobicContact CB-CD1 3.8Å; A969-L980 HydrophobicContact CB-CD2 3.92Å; A969-L980 HydrophobicContact CB-CG 3.68Å |
| 970 | I | 70 | Confident | 69.8 | Low | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -82.6 | -25.5 | 178 | -68.7 | 179.7 | 0 | 0 | 0 | 111.7 | I966 D967 N972 L973 L980 K1189 L1190 | I966-I970 HydrophobicContact CG2-CD1 3.63Å; I966-I970 HydrophobicContact CG2-CG1 4.31Å; I966-I970 WeakPolarHBondContact O-CB 3.41Å; I966-I970 WeakPolarHBondContact O-CG1 3.31Å; I966-I970 PolarHBondContact O-N 2.83Å; D967-I970 PolarHBondContact O-N 3.37Å; I970-N972 PolarHBondContact O-N 2.8Å; I970-L973 WeakPolarHBondContact O-CD1 3.18Å; I970-L980 HydrophobicContact CG1-CD1 4.08Å; I970-K1189 HydrophobicContact CD1-CB 3.34Å; I970-K1189 HydrophobicContact CD1-CD 4.12Å; I970-K1189 HydrophobicContact CD1-CG 4.38Å; I970-K1189 HydrophobicContact CG2-CB 4.48Å; I970-L1190 HydrophobicContact CD1-CG 4.43Å |
| 971 | Q | 71.7 | Confident | 70.3 | Confident | 146 Ų | 146 | 34.2 Ų | 34.2 | 68% | 0.682 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -63.5 | -30.3 | 162.5 | -72.2 | 163.4 | 23.5 | 0 | 0 | 111.9 | D967 | D967-Q971 WeakPolarHBondContact O-CB 3.28Å; D967-Q971 WeakPolarHBondContact O-CG 3.48Å; D967-Q971 PolarHBondContact O-N 2.98Å |
| 972 | N | 66.2 | Low | 70.5 | Confident | 27 Ų | 27 | 36.1 Ų | 36.1 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 41.8 | -176.3 | -67.1 | -79.2 | 0 | 0 | 0 | 113.6 | H968 A969 I970 R974 Y975 G976 | H968-N972 PolarHBondContact O-N 3.39Å; H968-N972 PolarHBondContact O-ND2 3.4Å; A969-N972 CarbonylContact O-C 3.56Å; A969-N972 PolarHBondContact O-N 3.07Å; I970-N972 PolarHBondContact O-N 2.8Å; N972-R974 VanDerWaalsContact C-N 3.25Å; N972-R974 PolarHBondContact O-N 3.39Å; N972-Y975 PolarHBondContact O-N 2.95Å; N972-G976 PolarHBondContact O-N 2.94Å |
| 973 | L | 67.3 | Low | 70.7 | Confident | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -38.8 | -44 | -169.4 | -81.3 | 121.3 | 0 | 0 | 0 | 116 | A969 I970 Y975 F977 L1190 R1196 Y1199 | A969-L973 WeakPolarHBondContact O-CA 3.46Å; A969-L973 PolarHBondContact O-N 2.81Å; A969-L973 VanDerWaalsContact O-N 3.12Å; I970-L973 WeakPolarHBondContact O-CD1 3.18Å; L973-Y975 PolarHBondContact O-N 2.84Å; L973-Y975 VanDerWaalsContact O-N 3.17Å; L973-F977 WeakPolarHBondContact O-CB 3.39Å; L973-F977 PolarHBondContact O-N 2.71Å; L973-L1190 HydrophobicContact CD2-CD2 3.44Å; L973-L1190 VanDerWaalsContact CD2-CD2 3.44Å; L973-R1196 HydrophobicContact CD1-CG 4.26Å; L973-R1196 HydrophobicContact CD2-CG 4.33Å; L973-Y1199 HydrophobicContact CB-CD2 4.38Å; L973-Y1199 HydrophobicContact CB-CE1 4.38Å; L973-Y1199 HydrophobicContact CB-CE2 4.17Å; L973-Y1199 HydrophobicContact CD2-CD1 4.36Å; L973-Y1199 HydrophobicContact CD2-CD2 3.74Å; L973-Y1199 HydrophobicContact CD2-CE2 4.35Å; L973-Y1199 HydrophobicContact CD2-CG 3.73Å |
| 974 | R | 64.3 | Low | 71 | Confident | 79 Ų | 79 | 32.1 Ų | 32.1 | 30% | 0.298 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.5 | -28.8 | -175.9 | -165.6 | 175 | -172.9 | -176.8 | -1.3 | 113.6 | Y90 T94 N972 Y1199 | Y90-R974 PolarHBondContact OH-NH1 3.49Å; Y90-R974 VanDerWaalsContact OH-NH1 3.13Å; T94-R974 PolarHBondContact OG1-NH2 3.46Å; N972-R974 VanDerWaalsContact C-N 3.25Å; N972-R974 PolarHBondContact O-N 3.39Å; R974-Y1199 WeakPolarHBondContact CA-OH 3.43Å |
| 975 | Y | 64 | Low | 71 | Confident | 36 Ų | 36 | 29.9 Ų | 29.9 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -111.4 | -36.7 | 176.4 | -56.8 | -64.5 | 0 | 0 | 0 | 111.9 | F915 R918 N972 L973 F977 E978 L979 | F915-Y975 HydrophobicContact CB-CD2 3.92Å; F915-Y975 HydrophobicContact CB-CG 4.36Å; F915-Y975 HydrophobicContact CD1-CD1 4.13Å; F915-Y975 HydrophobicContact CD1-CD2 4Å; F915-Y975 AromaticContact CD1-CG 3.6Å; F915-Y975 HydrophobicContact CD1-CG 3.6Å; F915-Y975 HydrophobicContact CE1-CD1 4.4Å; F915-Y975 HydrophobicContact CE1-CG 4.07Å; F915-Y975 HydrophobicContact CG-CD2 4.1Å; F915-Y975 HydrophobicContact CG-CG 4.03Å; R918-Y975 HydrophobicContact CB-CE2 4.04Å; R918-Y975 WeakPolarHBondContact CD-OH 3.37Å; N972-Y975 PolarHBondContact O-N 2.95Å; L973-Y975 PolarHBondContact O-N 2.84Å; L973-Y975 VanDerWaalsContact O-N 3.17Å; Y975-F977 PolarHBondContact O-N 3.47Å; Y975-E978 PolarHBondContact O-N 3.5Å; Y975-L979 PolarHBondContact O-N 2.67Å |
| 976 | G | 68.7 | Low | 70.9 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -31.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | A969 N972 E978 L979 L980 | A969-G976 WeakPolarHBondContact O-CA 3.26Å; N972-G976 PolarHBondContact O-N 2.94Å; G976-E978 VanDerWaalsContact C-N 3.33Å; G976-E978 PolarHBondContact O-N 2.78Å; G976-L979 WeakPolarHBondContact O-CB 3.48Å; G976-L979 PolarHBondContact O-N 3.46Å; G976-L980 WeakPolarHBondContact O-CB 3.44Å; G976-L980 WeakPolarHBondContact O-CG 3.36Å; G976-L980 PolarHBondContact O-N 3.36Å |
| 977 | F | 73.4 | Confident | 70.9 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 175.2 | 179.7 | -89.2 | 0 | 0 | 0 | 113 | L973 Y975 L980 S981 Y1199 R1202 F1203 E1206 | L973-F977 WeakPolarHBondContact O-CB 3.39Å; L973-F977 PolarHBondContact O-N 2.71Å; Y975-F977 PolarHBondContact O-N 3.47Å; F977-L980 PolarHBondContact O-N 2.87Å; F977-S981 WeakPolarHBondContact O-CB 3.43Å; F977-S981 PolarHBondContact O-N 3.15Å; F977-S981 PolarHBondContact O-OG 3.38Å; F977-Y1199 HydrophobicContact CB-CD1 3.91Å; F977-Y1199 HydrophobicContact CB-CE1 4.13Å; F977-Y1199 AromaticContact CD2-CD1 3.75Å; F977-Y1199 HydrophobicContact CD2-CD1 3.75Å; F977-Y1199 AromaticContact CG-CD1 3.96Å; F977-Y1199 HydrophobicContact CG-CD1 3.96Å; F977-Y1199 HydrophobicContact CG-CE1 4.47Å; F977-R1202 HydrophobicContact CE1-CG 4.18Å; F977-R1202 HydrophobicContact CE2-CB 4.06Å; F977-R1202 HydrophobicContact CE2-CG 4.15Å; F977-R1202 HydrophobicContact CZ-CB 3.99Å; F977-R1202 HydrophobicContact CZ-CG 3.57Å; F977-F1203 HydrophobicContact CD2-CD2 4.25Å; F977-F1203 HydrophobicContact CE2-CB 3.89Å; F977-F1203 AromaticContact CE2-CD2 3.75Å; F977-F1203 HydrophobicContact CE2-CD2 3.75Å; F977-F1203 HydrophobicContact CE2-CG 4.33Å; F977-F1203 HydrophobicContact CZ-CD2 4.28Å; F977-E1206 WeakPolarHBondContact CE1-OE2 3.37Å |
| 978 | E | 69.9 | Low | 70.9 | Confident | 100 Ų | 100 | 30.3 Ų | 30.3 | 47% | 0.467 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -74.7 | -31.3 | -179.6 | -163.8 | -176.7 | 169.2 | 0 | 0 | 111.9 | Y975 G976 S981 K982 | Y975-E978 PolarHBondContact O-N 3.5Å; G976-E978 VanDerWaalsContact C-N 3.33Å; G976-E978 PolarHBondContact O-N 2.78Å; E978-S981 PolarHBondContact O-OG 2.78Å; E978-K982 VanDerWaalsContact CD-NZ 3.3Å; E978-K982 HydrophobicContact CG-CD 4.29Å; E978-K982 WeakPolarHBondContact O-CB 3.43Å; E978-K982 WeakPolarHBondContact O-CD 3.36Å; E978-K982 VanDerWaalsContact O-CG 3.23Å; E978-K982 WeakPolarHBondContact O-CG 3.37Å; E978-K982 PolarHBondContact O-N 3Å; E978-K982 VanDerWaalsContact O-N 3.14Å; E978-K982 WeakPolarHBondContact OE1-CE 3.41Å; E978-K982 IonicContact OE1-NZ 3.71Å; E978-K982 PolarHBondContact OE1-NZ 3.46Å |
| 979 | L | 71.5 | Confident | 70.9 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 171.1 | 179.7 | 53.6 | 0 | 0 | 0 | 111 | M945 L948 L965 Y975 G976 L983 | M945-L979 HydrophobicContact CG-CD1 3.86Å; M945-L979 HydrophobicContact SD-CD1 3.57Å; M945-L979 VanDerWaalsContact SD-CD1 3.57Å; L948-L979 HydrophobicContact CD1-CD1 3.98Å; L948-L979 HydrophobicContact CD1-CD2 4.33Å; L965-L979 HydrophobicContact CD1-CD1 4.38Å; L965-L979 HydrophobicContact CD1-CD2 3.65Å; L965-L979 HydrophobicContact CD1-CG 3.99Å; Y975-L979 PolarHBondContact O-N 2.67Å; G976-L979 WeakPolarHBondContact O-CB 3.48Å; G976-L979 PolarHBondContact O-N 3.46Å; L979-L983 WeakPolarHBondContact O-CB 3.5Å; L979-L983 PolarHBondContact O-N 3.42Å |
| 980 | L | 76.5 | Confident | 70.7 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.5 | -39.1 | 177.2 | -68.8 | 172.2 | 0 | 0 | 0 | 112.6 | I966 A969 I970 G976 F977 L983 L984 I1186 F1203 | I966-L980 HydrophobicContact CG1-CD2 4.14Å; A969-L980 HydrophobicContact CB-CD1 3.8Å; A969-L980 HydrophobicContact CB-CD2 3.92Å; A969-L980 HydrophobicContact CB-CG 3.68Å; I970-L980 HydrophobicContact CG1-CD1 4.08Å; G976-L980 WeakPolarHBondContact O-CB 3.44Å; G976-L980 WeakPolarHBondContact O-CG 3.36Å; G976-L980 PolarHBondContact O-N 3.36Å; F977-L980 PolarHBondContact O-N 2.87Å; L980-L983 HydrophobicContact CD2-CD2 4.3Å; L980-L983 PolarHBondContact O-N 3.25Å; L980-L984 VanDerWaalsContact O-CB 3.24Å; L980-L984 WeakPolarHBondContact O-CB 3.13Å; L980-L984 PolarHBondContact O-N 2.85Å; L980-I1186 HydrophobicContact CB-CD1 4.35Å; L980-I1186 HydrophobicContact CD1-CG2 4.19Å; L980-I1186 HydrophobicContact CD2-CD1 3.78Å; L980-I1186 HydrophobicContact CD2-CG1 4.06Å; L980-I1186 HydrophobicContact CG-CD1 4.47Å; L980-F1203 HydrophobicContact CB-CE2 3.93Å; L980-F1203 HydrophobicContact CB-CZ 4.26Å |
| 981 | S | 74.8 | Confident | 70.6 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.2 | -35.7 | 178 | 72.6 | 0 | 0 | 0 | 0 | 112 | F977 E978 M985 | F977-S981 WeakPolarHBondContact O-CB 3.43Å; F977-S981 PolarHBondContact O-N 3.15Å; F977-S981 PolarHBondContact O-OG 3.38Å; E978-S981 PolarHBondContact O-OG 2.78Å; S981-M985 WeakPolarHBondContact O-CB 3.4Å; S981-M985 PolarHBondContact O-N 2.84Å |
| 982 | K | 70.7 | Confident | 70.3 | Confident | 40 Ų | 40 | 36 Ų | 36 | 17% | 0.174 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 171 | -73.6 | 169.9 | -174.6 | 169.5 | 0 | 112.4 | M945 E978 Q986 F999 | M945-K982 HydrophobicContact CE-CD 3.36Å; M945-K982 HydrophobicContact SD-CB 3.51Å; M945-K982 VanDerWaalsContact SD-CB 3.51Å; M945-K982 HydrophobicContact SD-CD 3.31Å; M945-K982 WeakPolarHBondContact SD-CD 3.42Å; M945-K982 HydrophobicContact SD-CG 4Å; E978-K982 VanDerWaalsContact CD-NZ 3.3Å; E978-K982 HydrophobicContact CG-CD 4.29Å; E978-K982 WeakPolarHBondContact O-CB 3.43Å; E978-K982 WeakPolarHBondContact O-CD 3.36Å; E978-K982 VanDerWaalsContact O-CG 3.23Å; E978-K982 WeakPolarHBondContact O-CG 3.37Å; E978-K982 PolarHBondContact O-N 3Å; E978-K982 VanDerWaalsContact O-N 3.14Å; E978-K982 WeakPolarHBondContact OE1-CE 3.41Å; E978-K982 IonicContact OE1-NZ 3.71Å; E978-K982 PolarHBondContact OE1-NZ 3.46Å; K982-Q986 WeakPolarHBondContact O-CB 3.12Å; K982-Q986 PolarHBondContact O-N 3.04Å; K982-F999 HydrophobicContact CB-CE1 4.3Å; K982-F999 HydrophobicContact CD-CD1 4.45Å; K982-F999 HydrophobicContact CD-CE1 4.33Å; K982-F999 HydrophobicContact CG-CD1 3.62Å; K982-F999 HydrophobicContact CG-CE1 3.29Å; K982-F999 HydrophobicContact CG-CZ 4.25Å |
| 983 | L | 75.1 | Confident | 69.4 | Low | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 176 | -172.2 | 70.7 | 0 | 0 | 0 | 112.1 | Y962 L965 L979 L980 Q986 E987 L1182 | Y962-L983 HydrophobicContact CD1-CD1 4.29Å; Y962-L983 HydrophobicContact CD1-CD2 3.96Å; Y962-L983 HydrophobicContact CD1-CG 4.32Å; Y962-L983 HydrophobicContact CE1-CD1 3.68Å; Y962-L983 HydrophobicContact CE1-CD2 4.12Å; Y962-L983 HydrophobicContact CE1-CG 3.96Å; L965-L983 HydrophobicContact CD2-CD1 3.75Å; L965-L983 HydrophobicContact CD2-CD2 3.44Å; L965-L983 VanDerWaalsContact CD2-CD2 3.44Å; L965-L983 HydrophobicContact CD2-CG 4.23Å; L965-L983 HydrophobicContact CG-CD2 4.01Å; L979-L983 WeakPolarHBondContact O-CB 3.5Å; L979-L983 PolarHBondContact O-N 3.42Å; L980-L983 HydrophobicContact CD2-CD2 4.3Å; L980-L983 PolarHBondContact O-N 3.25Å; L983-Q986 WeakPolarHBondContact O-CB 3.32Å; L983-Q986 PolarHBondContact O-N 2.99Å; L983-E987 PolarHBondContact O-N 2.73Å; L983-E987 VanDerWaalsContact O-N 3.1Å; L983-L1182 HydrophobicContact CD2-CD1 4.12Å; L983-L1182 HydrophobicContact CD2-CD2 4.36Å; L983-L1182 HydrophobicContact CG-CD2 4.11Å |
| 984 | L | 78 | Confident | 68.9 | Low | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.9 | -176.5 | 73.3 | 0 | 0 | 0 | 111 | L980 Q986 E987 Y988 Y1179 L1182 L1183 F1203 A1207 | L980-L984 VanDerWaalsContact O-CB 3.24Å; L980-L984 WeakPolarHBondContact O-CB 3.13Å; L980-L984 PolarHBondContact O-N 2.85Å; L984-Q986 VanDerWaalsContact C-N 3.28Å; L984-Q986 PolarHBondContact O-N 3.47Å; L984-E987 PolarHBondContact O-N 3.12Å; L984-Y988 PolarHBondContact O-N 3.47Å; L984-Y1179 HydrophobicContact CD1-CD2 3.8Å; L984-Y1179 HydrophobicContact CD1-CE1 4.44Å; L984-Y1179 HydrophobicContact CD1-CE2 3.36Å; L984-Y1179 HydrophobicContact CD2-CE2 4.42Å; L984-Y1179 HydrophobicContact CG-CD2 4.35Å; L984-Y1179 HydrophobicContact CG-CE2 3.57Å; L984-Y1179 WeakPolarHBondContact O-CE2 3.27Å; L984-L1182 HydrophobicContact CD1-CD2 4.48Å; L984-L1183 HydrophobicContact CD1-CB 3.92Å; L984-L1183 HydrophobicContact CD1-CD1 4.17Å; L984-L1183 HydrophobicContact CD1-CG 4.44Å; L984-L1183 HydrophobicContact CD2-CD1 4.04Å; L984-F1203 HydrophobicContact CB-CZ 4.05Å; L984-F1203 HydrophobicContact CD2-CE1 3.82Å; L984-F1203 HydrophobicContact CD2-CE2 4.24Å; L984-F1203 HydrophobicContact CD2-CZ 3.62Å; L984-F1203 HydrophobicContact CG-CZ 4.28Å; L984-A1207 HydrophobicContact CD2-CB 3.68Å |
| 985 | M | 71.8 | Confident | 68.4 | Low | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 174.9 | -175.5 | 65.6 | 77.1 | 0 | 0 | 111.8 | S981 Y988 C989 L996 F999 F1002 P1208 | S981-M985 WeakPolarHBondContact O-CB 3.4Å; S981-M985 PolarHBondContact O-N 2.84Å; M985-Y988 WeakPolarHBondContact O-CB 3.49Å; M985-Y988 PolarHBondContact O-N 2.75Å; M985-Y988 HydrophobicContact SD-CD1 3.75Å; M985-Y988 HydrophobicContact SD-CG 4.47Å; M985-C989 WeakPolarHBondContact O-CB 3.14Å; M985-C989 PolarHBondContact O-N 3.19Å; M985-C989 PolarHBondContact O-SG 2.88Å; M985-C989 VanDerWaalsContact O-SG 3.41Å; M985-L996 HydrophobicContact CB-CD1 4.12Å; M985-L996 HydrophobicContact CG-CD1 3.79Å; M985-F999 HydrophobicContact CB-CD2 3.97Å; M985-F999 HydrophobicContact CB-CE2 3.5Å; M985-F999 HydrophobicContact CB-CZ 4.05Å; M985-F999 HydrophobicContact CE-CD2 4.13Å; M985-F999 HydrophobicContact CE-CE2 3.67Å; M985-F999 HydrophobicContact CG-CD2 3.51Å; M985-F999 HydrophobicContact CG-CE2 3.48Å; M985-F999 VanDerWaalsContact CG-CE2 3.48Å; M985-F999 HydrophobicContact CG-CZ 4.47Å; M985-F999 HydrophobicContact SD-CE2 4.45Å; M985-F1002 HydrophobicContact CE-CD1 3.72Å; M985-F1002 HydrophobicContact CE-CE1 3.35Å; M985-F1002 HydrophobicContact CE-CZ 4.13Å; M985-P1208 HydrophobicContact CE-CB 3.77Å; M985-P1208 HydrophobicContact CE-CG 3.98Å; M985-P1208 HydrophobicContact SD-CB 3.84Å; M985-P1208 HydrophobicContact SD-CG 3.8Å |
| 986 | Q | 69.6 | Low | 67.8 | Low | 26 Ų | 26 | 49 Ų | 49 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 174.8 | -176.7 | -162.8 | -52.4 | 0 | 0 | 111.5 | T949 K982 L983 L984 Y988 C989 R990 L996 | T949-Q986 PolarHBondContact OG1-OE1 2.84Å; K982-Q986 WeakPolarHBondContact O-CB 3.12Å; K982-Q986 PolarHBondContact O-N 3.04Å; L983-Q986 WeakPolarHBondContact O-CB 3.32Å; L983-Q986 PolarHBondContact O-N 2.99Å; L984-Q986 VanDerWaalsContact C-N 3.28Å; L984-Q986 PolarHBondContact O-N 3.47Å; Q986-Y988 PolarHBondContact O-N 3.45Å; Q986-C989 PolarHBondContact O-N 2.94Å; Q986-C989 VanDerWaalsContact O-N 3.15Å; Q986-R990 WeakPolarHBondContact O-CB 3.33Å; Q986-R990 PolarHBondContact O-N 3.45Å; Q986-L996 HydrophobicContact CB-CD1 4.05Å |
| 987 | E | 72.4 | Confident | 66.9 | Low | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -25.3 | -179.7 | -64.5 | -55.9 | 118.8 | 0 | 0 | 111.7 | Y962 L983 L984 R990 Y991 F1178 Y1179 L1182 | Y962-E987 HydrophobicContact CE1-CG 4.47Å; Y962-E987 VanDerWaalsContact OH-CD 3.28Å; Y962-E987 PolarHBondContact OH-OE1 3.16Å; L983-E987 PolarHBondContact O-N 2.73Å; L983-E987 VanDerWaalsContact O-N 3.1Å; L984-E987 PolarHBondContact O-N 3.12Å; E987-R990 VanDerWaalsContact CD-NH1 3.32Å; E987-R990 IonicContact OE1-CZ 3.02Å; E987-R990 IonicContact OE1-NH1 2.73Å; E987-R990 PolarHBondContact OE1-NH1 3.49Å; E987-R990 WeakPolarHBondContact OE2-CD 3.24Å; E987-R990 IonicContact OE2-CZ 3.95Å; E987-R990 IonicContact OE2-NE 3.69Å; E987-R990 IonicContact OE2-NH1 3.29Å; E987-R990 PolarHBondContact OE2-NH1 2.79Å; E987-Y991 VanDerWaalsContact O-CB 3.29Å; E987-Y991 WeakPolarHBondContact O-CB 3.22Å; E987-Y991 PolarHBondContact O-N 3.15Å; E987-F1178 HydrophobicContact CG-CD1 3.99Å; E987-F1178 HydrophobicContact CG-CE1 4.21Å; E987-Y1179 HydrophobicContact CB-CD2 4.49Å; E987-L1182 HydrophobicContact CB-CD2 4.5Å; E987-L1182 HydrophobicContact CG-CD2 4.22Å |
| 988 | Y | 73 | Confident | 65.8 | Low | 43 Ų | 43 | 56.9 Ų | 56.9 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 165.6 | -178.9 | -102.8 | 0 | 0 | 0 | 113.4 | L984 M985 Q986 R990 Y991 R992 Y1179 P1208 L1209 | L984-Y988 PolarHBondContact O-N 3.47Å; M985-Y988 WeakPolarHBondContact O-CB 3.49Å; M985-Y988 PolarHBondContact O-N 2.75Å; M985-Y988 HydrophobicContact SD-CD1 3.75Å; M985-Y988 HydrophobicContact SD-CG 4.47Å; Q986-Y988 PolarHBondContact O-N 3.45Å; Y988-R990 VanDerWaalsContact C-N 3.28Å; Y988-R990 PolarHBondContact O-N 3.09Å; Y988-Y991 HydrophobicContact CD2-CD1 4.08Å; Y988-Y991 HydrophobicContact CE2-CD1 4.19Å; Y988-Y991 HydrophobicContact CE2-CE1 4.4Å; Y988-Y991 WeakPolarHBondContact O-CB 3.37Å; Y988-Y991 PolarHBondContact O-N 3.49Å; Y988-R992 HydrophobicContact CD1-CG 4.3Å; Y988-R992 HydrophobicContact CD2-CG 4.46Å; Y988-R992 HydrophobicContact CE1-CG 3.82Å; Y988-R992 HydrophobicContact CE2-CG 3.98Å; Y988-R992 WeakPolarHBondContact O-CB 3.41Å; Y988-R992 WeakPolarHBondContact O-CG 3.26Å; Y988-R992 PolarHBondContact O-N 3Å; Y988-R992 PolarHBondContact OH-NE 2.68Å; Y988-R992 PolarHBondContact OH-NH2 3.17Å; Y988-Y1179 HydrophobicContact CD2-CE2 4.44Å; Y988-Y1179 HydrophobicContact CG-CE2 4.49Å; Y988-P1208 VanDerWaalsContact CB-CG 3.48Å; Y988-P1208 HydrophobicContact CD1-CB 3.47Å; Y988-P1208 VanDerWaalsContact CD1-CB 3.47Å; Y988-P1208 HydrophobicContact CD1-CG 3.72Å; Y988-P1208 HydrophobicContact CD2-CB 3.96Å; Y988-P1208 HydrophobicContact CD2-CG 3.89Å; Y988-P1208 HydrophobicContact CE1-CB 3.71Å; Y988-P1208 HydrophobicContact CE1-CG 4.43Å; Y988-P1208 HydrophobicContact CE2-CB 4.2Å; Y988-P1208 HydrophobicContact CG-CB 3.6Å; Y988-P1208 HydrophobicContact CG-CG 3.4Å; Y988-L1209 HydrophobicContact CD2-CB 4.02Å; Y988-L1209 HydrophobicContact CE2-CB 3.81Å; Y988-L1209 HydrophobicContact CE2-CD2 4.27Å |
| 989 | C | 69.5 | Low | 64.8 | Low | 18 Ų | 18 | 53 Ų | 53 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.6 | -78 | 0 | 0 | 0 | 0 | 111 | M985 Q986 R992 G993 F994 L996 | M985-C989 WeakPolarHBondContact O-CB 3.14Å; M985-C989 PolarHBondContact O-N 3.19Å; M985-C989 PolarHBondContact O-SG 2.88Å; M985-C989 VanDerWaalsContact O-SG 3.41Å; Q986-C989 PolarHBondContact O-N 2.94Å; Q986-C989 VanDerWaalsContact O-N 3.15Å; C989-R992 CarbonylContact O-C 3.39Å; C989-R992 PolarHBondContact O-N 2.71Å; C989-G993 CarbonylContact O-C 3.55Å; C989-G993 PolarHBondContact O-N 2.89Å; C989-F994 CarbonylContact C-O 3.56Å; C989-F994 WeakPolarHBondContact CB-O 3.34Å; C989-F994 PolarHBondContact O-N 3.05Å; C989-L996 HydrophobicContact CB-CD1 4.4Å |
| 990 | R | 66.2 | Low | 63.8 | Low | 82 Ų | 82 | 55.1 Ų | 55.1 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 172.4 | -173 | -169.6 | -154.4 | 137.6 | 13.3 | 111.6 | Q986 E987 Y988 R992 G993 | Q986-R990 WeakPolarHBondContact O-CB 3.33Å; Q986-R990 PolarHBondContact O-N 3.45Å; E987-R990 VanDerWaalsContact CD-NH1 3.32Å; E987-R990 IonicContact OE1-CZ 3.02Å; E987-R990 IonicContact OE1-NH1 2.73Å; E987-R990 PolarHBondContact OE1-NH1 3.49Å; E987-R990 WeakPolarHBondContact OE2-CD 3.24Å; E987-R990 IonicContact OE2-CZ 3.95Å; E987-R990 IonicContact OE2-NE 3.69Å; E987-R990 IonicContact OE2-NH1 3.29Å; E987-R990 PolarHBondContact OE2-NH1 2.79Å; Y988-R990 VanDerWaalsContact C-N 3.28Å; Y988-R990 PolarHBondContact O-N 3.09Å; R990-R992 PolarHBondContact O-N 3.4Å; R990-G993 PolarHBondContact O-N 2.8Å; R990-G993 VanDerWaalsContact O-N 3.1Å |
| 991 | Y | 68.4 | Low | 62.6 | Low | 86 Ų | 86 | 58.4 Ų | 58.4 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.4 | -35.9 | 173.8 | 162.5 | -115.9 | 0 | 0 | 0 | 112.5 | E987 Y988 L1176 L1209 | E987-Y991 VanDerWaalsContact O-CB 3.29Å; E987-Y991 WeakPolarHBondContact O-CB 3.22Å; E987-Y991 PolarHBondContact O-N 3.15Å; Y988-Y991 HydrophobicContact CD2-CD1 4.08Å; Y988-Y991 HydrophobicContact CE2-CD1 4.19Å; Y988-Y991 HydrophobicContact CE2-CE1 4.4Å; Y988-Y991 WeakPolarHBondContact O-CB 3.37Å; Y988-Y991 PolarHBondContact O-N 3.49Å; Y991-L1176 HydrophobicContact CD1-CD1 4.16Å; Y991-L1176 HydrophobicContact CD2-CB 3.84Å; Y991-L1176 HydrophobicContact CD2-CD1 4.3Å; Y991-L1176 HydrophobicContact CE1-CD1 3.95Å; Y991-L1176 HydrophobicContact CE2-CB 3.8Å; Y991-L1176 HydrophobicContact CE2-CD1 4.12Å; Y991-L1176 HydrophobicContact CE2-CD2 4.12Å; Y991-L1176 HydrophobicContact CE2-CG 4.23Å; Y991-L1176 HydrophobicContact CG-CD1 4.33Å; Y991-L1209 HydrophobicContact CE1-CD2 4.36Å |
| 992 | R | 64.5 | Low | 61.7 | Low | 127 Ų | 127 | 62.3 Ų | 62.3 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3 | 176.5 | -68.4 | -63.4 | -161 | 173.7 | 3.3 | 115.2 | Y988 C989 R990 F994 | Y988-R992 HydrophobicContact CD1-CG 4.3Å; Y988-R992 HydrophobicContact CD2-CG 4.46Å; Y988-R992 HydrophobicContact CE1-CG 3.82Å; Y988-R992 HydrophobicContact CE2-CG 3.98Å; Y988-R992 WeakPolarHBondContact O-CB 3.41Å; Y988-R992 WeakPolarHBondContact O-CG 3.26Å; Y988-R992 PolarHBondContact O-N 3Å; Y988-R992 PolarHBondContact OH-NE 2.68Å; Y988-R992 PolarHBondContact OH-NH2 3.17Å; C989-R992 CarbonylContact O-C 3.39Å; C989-R992 PolarHBondContact O-N 2.71Å; R990-R992 PolarHBondContact O-N 3.4Å; R992-F994 VanDerWaalsContact C-N 3.27Å; R992-F994 HydrophobicContact CB-CD2 3.52Å; R992-F994 HydrophobicContact CB-CE2 3.86Å; R992-F994 HydrophobicContact CB-CG 4.47Å; R992-F994 HydrophobicContact CG-CD2 4.49Å; R992-F994 PolarHBondContact O-N 3.08Å |
| 993 | G | 47.6 | Very low | 61.1 | Low | 69 Ų | 69 | 60.8 Ų | 60.8 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 10.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C989 R990 | C989-G993 CarbonylContact O-C 3.55Å; C989-G993 PolarHBondContact O-N 2.89Å; R990-G993 PolarHBondContact O-N 2.8Å; R990-G993 VanDerWaalsContact O-N 3.1Å |
| 994 | F | 57 | Low | 60.2 | Low | 144 Ų | 144 | 62.6 Ų | 62.6 | 63% | 0.632 | 33% | 0.334 | S | S | * | . | trans | -92.5 | 149.7 | -179.5 | -63.7 | -55.8 | 0 | 0 | 0 | 112.7 | C989 R992 | C989-F994 CarbonylContact C-O 3.56Å; C989-F994 WeakPolarHBondContact CB-O 3.34Å; C989-F994 PolarHBondContact O-N 3.05Å; R992-F994 VanDerWaalsContact C-N 3.27Å; R992-F994 HydrophobicContact CB-CD2 3.52Å; R992-F994 HydrophobicContact CB-CE2 3.86Å; R992-F994 HydrophobicContact CB-CG 4.47Å; R992-F994 HydrophobicContact CG-CD2 4.49Å; R992-F994 PolarHBondContact O-N 3.08Å | ||
| 995 | Q | 54.5 | Low | 59.4 | Low | 166 Ų | 166 | 66.2 Ų | 66.2 | 78% | 0.776 | 36% | 0.356 | S | S | * | . | trans | -86.7 | 139.3 | 168 | -64.3 | -171.6 | 10.5 | 0 | 0 | 110.4 | I997 | Q995-I997 HydrophobicContact CB-CD1 4.4Å; Q995-I997 HydrophobicContact CB-CG1 4.35Å; Q995-I997 PolarHBondContact O-N 2.77Å | ||
| 996 | L | 51.3 | Low | 58.6 | Low | 72 Ų | 72 | 67.4 Ų | 67.4 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | trans | -78.8 | 68.8 | -175 | -161.4 | 137.4 | 0 | 0 | 0 | 111.2 | M985 Q986 C989 F999 | M985-L996 HydrophobicContact CB-CD1 4.12Å; M985-L996 HydrophobicContact CG-CD1 3.79Å; Q986-L996 HydrophobicContact CB-CD1 4.05Å; C989-L996 HydrophobicContact CB-CD1 4.4Å; L996-F999 HydrophobicContact CD2-CB 3.5Å; L996-F999 HydrophobicContact CD2-CG 4.16Å; L996-F999 HydrophobicContact CG-CB 3.98Å | ||
| 997 | I | 48.6 | Very low | 58.3 | Low | 143 Ų | 143 | 70.9 Ų | 70.9 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | trans | -101.9 | 130.2 | 174.2 | -57.9 | 175 | 0 | 0 | 0 | 107.3 | Q995 | Q995-I997 HydrophobicContact CB-CD1 4.4Å; Q995-I997 HydrophobicContact CB-CG1 4.35Å; Q995-I997 PolarHBondContact O-N 2.77Å | ||
| 998 | G | 50 | Low | 57.8 | Low | 36 Ų | 36 | 74.8 Ų | 74.8 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 75.9 | 23.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1000 S1001 F1002 | G998-G1000 PolarHBondContact O-N 3.35Å; G998-S1001 WeakPolarHBondContact CA-OG 3.11Å; G998-S1001 PolarHBondContact O-N 3.44Å; G998-S1001 PolarHBondContact O-OG 3.41Å; G998-F1002 PolarHBondContact O-N 3.22Å |
| 999 | F | 49.3 | Very low | 57.4 | Low | 17 Ų | 17 | 77.9 Ų | 77.9 | 8% | 0.075 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -32.4 | 173.3 | 177.3 | -108.6 | 0 | 0 | 0 | 113.1 | K982 M985 L996 F1002 L1003 | K982-F999 HydrophobicContact CB-CE1 4.3Å; K982-F999 HydrophobicContact CD-CD1 4.45Å; K982-F999 HydrophobicContact CD-CE1 4.33Å; K982-F999 HydrophobicContact CG-CD1 3.62Å; K982-F999 HydrophobicContact CG-CE1 3.29Å; K982-F999 HydrophobicContact CG-CZ 4.25Å; M985-F999 HydrophobicContact CB-CD2 3.97Å; M985-F999 HydrophobicContact CB-CE2 3.5Å; M985-F999 HydrophobicContact CB-CZ 4.05Å; M985-F999 HydrophobicContact CE-CD2 4.13Å; M985-F999 HydrophobicContact CE-CE2 3.67Å; M985-F999 HydrophobicContact CG-CD2 3.51Å; M985-F999 HydrophobicContact CG-CE2 3.48Å; M985-F999 VanDerWaalsContact CG-CE2 3.48Å; M985-F999 HydrophobicContact CG-CZ 4.47Å; M985-F999 HydrophobicContact SD-CE2 4.45Å; L996-F999 HydrophobicContact CD2-CB 3.5Å; L996-F999 HydrophobicContact CD2-CG 4.16Å; L996-F999 HydrophobicContact CG-CB 3.98Å; F999-F1002 HydrophobicContact CD2-CD1 4.31Å; F999-F1002 HydrophobicContact CE2-CD1 4.39Å; F999-F1002 PolarHBondContact O-N 3.07Å; F999-L1003 HydrophobicContact CD1-CD1 4.23Å; F999-L1003 HydrophobicContact CD1-CG 4.27Å; F999-L1003 HydrophobicContact CD2-CG 4.25Å; F999-L1003 HydrophobicContact CE1-CD1 3.35Å; F999-L1003 HydrophobicContact CE1-CD2 4.46Å; F999-L1003 HydrophobicContact CE1-CG 3.65Å; F999-L1003 HydrophobicContact CE2-CD1 4.22Å; F999-L1003 HydrophobicContact CE2-CD2 3.85Å; F999-L1003 HydrophobicContact CE2-CG 3.67Å; F999-L1003 HydrophobicContact CZ-CD1 3.4Å; F999-L1003 HydrophobicContact CZ-CD2 3.72Å; F999-L1003 HydrophobicContact CZ-CG 3.37Å; F999-L1003 PolarHBondContact O-N 3.01Å |
| 1000 | G | 51.4 | Low | 57.1 | Low | 54 Ų | 54 | 77.9 Ų | 77.9 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.1 | -47.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G998 L1003 E1004 | G998-G1000 PolarHBondContact O-N 3.35Å; G1000-L1003 PolarHBondContact O-N 2.79Å; G1000-E1004 WeakPolarHBondContact O-CB 3.28Å; G1000-E1004 PolarHBondContact O-N 2.74Å |
| 1001 | S | 50.7 | Low | 57.1 | Low | 74 Ų | 74 | 77.3 Ų | 77.3 | 52% | 0.517 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.9 | -30.5 | 174.8 | 43.4 | 0 | 0 | 0 | 0 | 113.1 | G998 E1004 T1005 | G998-S1001 WeakPolarHBondContact CA-OG 3.11Å; G998-S1001 PolarHBondContact O-N 3.44Å; G998-S1001 PolarHBondContact O-OG 3.41Å; S1001-E1004 PolarHBondContact O-N 3.12Å; S1001-T1005 VanDerWaalsContact O-CB 3.28Å; S1001-T1005 WeakPolarHBondContact O-CB 3.19Å; S1001-T1005 PolarHBondContact O-N 2.78Å; S1001-T1005 PolarHBondContact O-OG1 2.99Å |
| 1002 | F | 56.7 | Low | 56.9 | Low | 92 Ų | 92 | 76 Ų | 76 | 40% | 0.404 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 171.2 | 176.7 | -91.3 | 0 | 0 | 0 | 111.8 | M985 G998 F999 E1004 R1006 | M985-F1002 HydrophobicContact CE-CD1 3.72Å; M985-F1002 HydrophobicContact CE-CE1 3.35Å; M985-F1002 HydrophobicContact CE-CZ 4.13Å; G998-F1002 PolarHBondContact O-N 3.22Å; F999-F1002 HydrophobicContact CD2-CD1 4.31Å; F999-F1002 HydrophobicContact CE2-CD1 4.39Å; F999-F1002 PolarHBondContact O-N 3.07Å; F1002-E1004 VanDerWaalsContact C-N 3.32Å; F1002-R1006 HydrophobicContact CE1-CB 4.45Å; F1002-R1006 WeakPolarHBondContact O-CB 3.45Å; F1002-R1006 PolarHBondContact O-N 2.89Å |
| 1003 | L | 57.7 | Low | 56.8 | Low | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -39 | 173.2 | -80 | -167.5 | 0 | 0 | 0 | 111.3 | F999 G1000 R1006 R1007 | F999-L1003 HydrophobicContact CD1-CD1 4.23Å; F999-L1003 HydrophobicContact CD1-CG 4.27Å; F999-L1003 HydrophobicContact CD2-CG 4.25Å; F999-L1003 HydrophobicContact CE1-CD1 3.35Å; F999-L1003 HydrophobicContact CE1-CD2 4.46Å; F999-L1003 HydrophobicContact CE1-CG 3.65Å; F999-L1003 HydrophobicContact CE2-CD1 4.22Å; F999-L1003 HydrophobicContact CE2-CD2 3.85Å; F999-L1003 HydrophobicContact CE2-CG 3.67Å; F999-L1003 HydrophobicContact CZ-CD1 3.4Å; F999-L1003 HydrophobicContact CZ-CD2 3.72Å; F999-L1003 HydrophobicContact CZ-CG 3.37Å; F999-L1003 PolarHBondContact O-N 3.01Å; G1000-L1003 PolarHBondContact O-N 2.79Å; L1003-R1006 PolarHBondContact O-N 2.83Å; L1003-R1007 WeakPolarHBondContact O-CB 3.08Å; L1003-R1007 VanDerWaalsContact O-CG 3.23Å; L1003-R1007 WeakPolarHBondContact O-CG 3.27Å; L1003-R1007 PolarHBondContact O-N 2.97Å |
| 1004 | E | 55.1 | Low | 57.2 | Low | 45 Ų | 45 | 75.7 Ų | 75.7 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 179.4 | -157.4 | 60.1 | -163 | 0 | 0 | 112 | G1000 S1001 F1002 R1006 R1007 H1008 | G1000-E1004 WeakPolarHBondContact O-CB 3.28Å; G1000-E1004 PolarHBondContact O-N 2.74Å; S1001-E1004 PolarHBondContact O-N 3.12Å; F1002-E1004 VanDerWaalsContact C-N 3.32Å; E1004-R1006 PolarHBondContact O-N 2.92Å; E1004-R1007 PolarHBondContact O-N 2.81Å; E1004-R1007 IonicContact OE2-CZ 2.71Å; E1004-R1007 IonicContact OE2-NE 2.69Å; E1004-R1007 PolarHBondContact OE2-NE 3.31Å; E1004-R1007 IonicContact OE2-NH2 3.17Å; E1004-R1007 PolarHBondContact OE2-NH2 2.77Å; E1004-H1008 VanDerWaalsContact O-CB 3.23Å; E1004-H1008 WeakPolarHBondContact O-CB 3.48Å; E1004-H1008 PolarHBondContact O-N 3.16Å |
| 1005 | T | 61.7 | Low | 57.3 | Low | 77 Ų | 77 | 71.8 Ų | 71.8 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 171.2 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | S1001 H1008 Q1009 | S1001-T1005 VanDerWaalsContact O-CB 3.28Å; S1001-T1005 WeakPolarHBondContact O-CB 3.19Å; S1001-T1005 PolarHBondContact O-N 2.78Å; S1001-T1005 PolarHBondContact O-OG1 2.99Å; T1005-H1008 PolarHBondContact O-N 3.39Å; T1005-Q1009 WeakPolarHBondContact O-CB 3.44Å; T1005-Q1009 VanDerWaalsContact O-CG 3.26Å; T1005-Q1009 WeakPolarHBondContact O-CG 3.36Å; T1005-Q1009 PolarHBondContact O-N 2.93Å |
| 1006 | R | 56.4 | Low | 57.5 | Low | 33 Ų | 33 | 69.5 Ų | 69.5 | 13% | 0.125 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72 | -36.6 | 177.1 | -171.8 | 175.8 | 174.3 | 106.2 | -7.7 | 112 | F1002 L1003 E1004 Q1009 L1010 I1205 A1207 | F1002-R1006 HydrophobicContact CE1-CB 4.45Å; F1002-R1006 WeakPolarHBondContact O-CB 3.45Å; F1002-R1006 PolarHBondContact O-N 2.89Å; L1003-R1006 PolarHBondContact O-N 2.83Å; E1004-R1006 PolarHBondContact O-N 2.92Å; R1006-Q1009 PolarHBondContact O-N 3.32Å; R1006-L1010 HydrophobicContact CG-CD1 4.13Å; R1006-L1010 HydrophobicContact CG-CG 4.48Å; R1006-L1010 VanDerWaalsContact O-CB 3.28Å; R1006-L1010 WeakPolarHBondContact O-CB 3.19Å; R1006-L1010 WeakPolarHBondContact O-CD1 3.47Å; R1006-L1010 WeakPolarHBondContact O-CG 3.49Å; R1006-L1010 PolarHBondContact O-N 3.03Å; R1006-I1205 PolarHBondContact NH2-O 3.45Å; R1006-A1207 PolarHBondContact NH2-O 2.95Å |
| 1007 | R | 61.4 | Low | 57.6 | Low | 100 Ų | 100 | 67.9 Ų | 67.9 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 171.5 | -79.5 | -168 | -72.3 | -128.1 | 14.8 | 110.8 | L1003 E1004 L1010 S1011 | L1003-R1007 WeakPolarHBondContact O-CB 3.08Å; L1003-R1007 VanDerWaalsContact O-CG 3.23Å; L1003-R1007 WeakPolarHBondContact O-CG 3.27Å; L1003-R1007 PolarHBondContact O-N 2.97Å; E1004-R1007 PolarHBondContact O-N 2.81Å; E1004-R1007 IonicContact OE2-CZ 2.71Å; E1004-R1007 IonicContact OE2-NE 2.69Å; E1004-R1007 PolarHBondContact OE2-NE 3.31Å; E1004-R1007 IonicContact OE2-NH2 3.17Å; E1004-R1007 PolarHBondContact OE2-NH2 2.77Å; R1007-L1010 PolarHBondContact O-N 2.92Å; R1007-S1011 VanDerWaalsContact O-CB 3.26Å; R1007-S1011 WeakPolarHBondContact O-CB 3.32Å; R1007-S1011 PolarHBondContact O-N 2.8Å |
| 1008 | H | 63.6 | Low | 57.6 | Low | 84 Ų | 84 | 67.5 Ų | 67.5 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 174.8 | -177.3 | 77.7 | 0 | 0 | 0 | 111.5 | Q182 E1004 T1005 L1010 S1011 V1012 | Q182-H1008 PolarHBondContact OE1-CE1 3.46Å; Q182-H1008 PolarHBondContact OE1-ND1 3.31Å; E1004-H1008 VanDerWaalsContact O-CB 3.23Å; E1004-H1008 WeakPolarHBondContact O-CB 3.48Å; E1004-H1008 PolarHBondContact O-N 3.16Å; T1005-H1008 PolarHBondContact O-N 3.39Å; H1008-L1010 PolarHBondContact O-N 3.42Å; H1008-S1011 CarbonylContact O-C 3.56Å; H1008-S1011 WeakPolarHBondContact O-CB 3.16Å; H1008-S1011 PolarHBondContact O-N 3.3Å; H1008-S1011 VanDerWaalsContact O-N 3.13Å; H1008-V1012 WeakPolarHBondContact O-CG2 3.42Å; H1008-V1012 PolarHBondContact O-N 3.44Å |
| 1009 | Q | 63.9 | Low | 57.5 | Low | 109 Ų | 109 | 71.3 Ų | 71.3 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 172.1 | -77.6 | 173.8 | -13.4 | 0 | 0 | 111.9 | T1005 R1006 S1011 V1012 I1013 | T1005-Q1009 WeakPolarHBondContact O-CB 3.44Å; T1005-Q1009 VanDerWaalsContact O-CG 3.26Å; T1005-Q1009 WeakPolarHBondContact O-CG 3.36Å; T1005-Q1009 PolarHBondContact O-N 2.93Å; R1006-Q1009 PolarHBondContact O-N 3.32Å; Q1009-S1011 VanDerWaalsContact C-N 3.29Å; Q1009-S1011 PolarHBondContact O-N 3.25Å; Q1009-V1012 PolarHBondContact O-N 3.27Å; Q1009-I1013 WeakPolarHBondContact O-CB 3.45Å; Q1009-I1013 WeakPolarHBondContact O-CD1 3.42Å; Q1009-I1013 VanDerWaalsContact O-CG1 3.23Å; Q1009-I1013 WeakPolarHBondContact O-CG1 3.41Å; Q1009-I1013 PolarHBondContact O-N 2.85Å |
| 1010 | L | 62.9 | Low | 57.2 | Low | 17 Ų | 17 | 76.4 Ų | 76.4 | 9% | 0.089 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 175 | -72.7 | 168.2 | 0 | 0 | 0 | 112.2 | R1006 R1007 H1008 R1014 I1205 T1241 | R1006-L1010 HydrophobicContact CG-CD1 4.13Å; R1006-L1010 HydrophobicContact CG-CG 4.48Å; R1006-L1010 VanDerWaalsContact O-CB 3.28Å; R1006-L1010 WeakPolarHBondContact O-CB 3.19Å; R1006-L1010 WeakPolarHBondContact O-CD1 3.47Å; R1006-L1010 WeakPolarHBondContact O-CG 3.49Å; R1006-L1010 PolarHBondContact O-N 3.03Å; R1007-L1010 PolarHBondContact O-N 2.92Å; H1008-L1010 PolarHBondContact O-N 3.42Å; L1010-R1014 WeakPolarHBondContact O-CB 3.35Å; L1010-R1014 WeakPolarHBondContact O-CD 3.33Å; L1010-R1014 WeakPolarHBondContact O-CG 3.34Å; L1010-R1014 PolarHBondContact O-N 3.15Å; L1010-I1205 HydrophobicContact CD1-CG2 3.78Å; L1010-I1205 HydrophobicContact CD2-CG2 4.04Å; L1010-T1241 HydrophobicContact CD2-CG2 3.81Å |
| 1011 | S | 66 | Low | 56.5 | Low | 70 Ų | 70 | 76.7 Ų | 76.7 | 49% | 0.49 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 174.7 | -164.3 | 0 | 0 | 0 | 0 | 111.3 | R1007 H1008 Q1009 R1014 E1015 | R1007-S1011 VanDerWaalsContact O-CB 3.26Å; R1007-S1011 WeakPolarHBondContact O-CB 3.32Å; R1007-S1011 PolarHBondContact O-N 2.8Å; H1008-S1011 CarbonylContact O-C 3.56Å; H1008-S1011 WeakPolarHBondContact O-CB 3.16Å; H1008-S1011 PolarHBondContact O-N 3.3Å; H1008-S1011 VanDerWaalsContact O-N 3.13Å; Q1009-S1011 VanDerWaalsContact C-N 3.29Å; Q1009-S1011 PolarHBondContact O-N 3.25Å; S1011-R1014 PolarHBondContact O-N 2.85Å; S1011-E1015 WeakPolarHBondContact O-CB 3.3Å; S1011-E1015 PolarHBondContact O-N 3.24Å |
| 1012 | V | 65.5 | Low | 55.9 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | H1008 Q1009 E1015 Q1016 | H1008-V1012 WeakPolarHBondContact O-CG2 3.42Å; H1008-V1012 PolarHBondContact O-N 3.44Å; Q1009-V1012 PolarHBondContact O-N 3.27Å; V1012-E1015 PolarHBondContact O-N 2.86Å; V1012-Q1016 WeakPolarHBondContact O-CB 3.23Å; V1012-Q1016 VanDerWaalsContact O-CG 3.25Å; V1012-Q1016 WeakPolarHBondContact O-CG 3.26Å; V1012-Q1016 PolarHBondContact O-N 3.1Å |
| 1013 | I | 61.7 | Low | 54.8 | Low | 51 Ų | 51 | 77.4 Ų | 77.4 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 175.4 | -69.9 | 164.4 | 0 | 0 | 0 | 110.5 | Q1009 E1015 Q1016 I1017 T1241 | Q1009-I1013 WeakPolarHBondContact O-CB 3.45Å; Q1009-I1013 WeakPolarHBondContact O-CD1 3.42Å; Q1009-I1013 VanDerWaalsContact O-CG1 3.23Å; Q1009-I1013 WeakPolarHBondContact O-CG1 3.41Å; Q1009-I1013 PolarHBondContact O-N 2.85Å; I1013-E1015 VanDerWaalsContact C-N 3.31Å; I1013-E1015 PolarHBondContact O-N 3.28Å; I1013-Q1016 PolarHBondContact O-N 3.25Å; I1013-I1017 HydrophobicContact CG2-CD1 3.7Å; I1013-I1017 HydrophobicContact CG2-CG1 4.42Å; I1013-I1017 WeakPolarHBondContact O-CB 3.36Å; I1013-I1017 VanDerWaalsContact O-CG1 3.26Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.15Å; I1013-I1017 PolarHBondContact O-N 2.66Å; I1013-T1241 HydrophobicContact CG2-CG2 4.4Å |
| 1014 | R | 56.6 | Low | 53.6 | Low | 139 Ų | 139 | 79.4 Ų | 79.4 | 53% | 0.525 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | 175.5 | -77.9 | 170.6 | 176.2 | -176.4 | -3.1 | 112.7 | L1010 S1011 R1018 | L1010-R1014 WeakPolarHBondContact O-CB 3.35Å; L1010-R1014 WeakPolarHBondContact O-CD 3.33Å; L1010-R1014 WeakPolarHBondContact O-CG 3.34Å; L1010-R1014 PolarHBondContact O-N 3.15Å; S1011-R1014 PolarHBondContact O-N 2.85Å; R1014-R1018 WeakPolarHBondContact O-CB 3.22Å; R1014-R1018 PolarHBondContact O-N 3.04Å |
| 1015 | E | 58.9 | Low | 52.6 | Low | 61 Ų | 61 | 80.9 Ų | 80.9 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.3 | -34.7 | 176.9 | -176.4 | 67.9 | 178.4 | 0 | 0 | 111.8 | S1011 V1012 I1013 R1018 K1019 | S1011-E1015 WeakPolarHBondContact O-CB 3.3Å; S1011-E1015 PolarHBondContact O-N 3.24Å; V1012-E1015 PolarHBondContact O-N 2.86Å; I1013-E1015 VanDerWaalsContact C-N 3.31Å; I1013-E1015 PolarHBondContact O-N 3.28Å; E1015-R1018 IonicContact OE2-CZ 3.95Å; E1015-R1018 IonicContact OE2-NH1 3.7Å; E1015-R1018 PolarHBondContact OE2-NH1 3.43Å; E1015-K1019 HydrophobicContact CG-CD 4.32Å; E1015-K1019 WeakPolarHBondContact O-CB 3.11Å; E1015-K1019 WeakPolarHBondContact O-CG 3.34Å; E1015-K1019 PolarHBondContact O-N 3.08Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.49Å; E1015-K1019 IonicContact OE1-NZ 2.74Å; E1015-K1019 PolarHBondContact OE1-NZ 3.48Å |
| 1016 | Q | 57.8 | Low | 51.2 | Low | 118 Ų | 118 | 83.4 Ų | 83.4 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.7 | -41.5 | 170.9 | -75.1 | 172.2 | -8.2 | 0 | 0 | 111.7 | V1012 I1013 K1019 R1020 | V1012-Q1016 WeakPolarHBondContact O-CB 3.23Å; V1012-Q1016 VanDerWaalsContact O-CG 3.25Å; V1012-Q1016 WeakPolarHBondContact O-CG 3.26Å; V1012-Q1016 PolarHBondContact O-N 3.1Å; I1013-Q1016 PolarHBondContact O-N 3.25Å; Q1016-K1019 PolarHBondContact O-N 2.71Å; Q1016-R1020 WeakPolarHBondContact O-CG 3.38Å; Q1016-R1020 PolarHBondContact O-N 3.23Å |
| 1017 | I | 54.1 | Low | 49.8 | Very low | 38 Ų | 38 | 86.8 Ų | 86.8 | 20% | 0.195 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 174 | -67.9 | 166.4 | 0 | 0 | 0 | 110.2 | I1013 K1019 R1020 F1021 E1240 | I1013-I1017 HydrophobicContact CG2-CD1 3.7Å; I1013-I1017 HydrophobicContact CG2-CG1 4.42Å; I1013-I1017 WeakPolarHBondContact O-CB 3.36Å; I1013-I1017 VanDerWaalsContact O-CG1 3.26Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.15Å; I1013-I1017 PolarHBondContact O-N 2.66Å; I1017-K1019 PolarHBondContact O-N 2.66Å; I1017-R1020 PolarHBondContact O-N 2.78Å; I1017-F1021 HydrophobicContact CG2-CD2 3.87Å; I1017-F1021 HydrophobicContact CG2-CE2 4.21Å; I1017-F1021 PolarHBondContact O-N 3.48Å; I1017-E1240 HydrophobicContact CD1-CB 4.23Å |
| 1018 | R | 49.1 | Very low | 48.1 | Very low | 135 Ų | 135 | 88 Ų | 88 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -54.4 | -51.4 | 172.9 | 174.1 | -176.2 | -71.6 | 139.3 | -8 | 110.8 | R1014 E1015 R1020 F1021 E1022 | R1014-R1018 WeakPolarHBondContact O-CB 3.22Å; R1014-R1018 PolarHBondContact O-N 3.04Å; E1015-R1018 IonicContact OE2-CZ 3.95Å; E1015-R1018 IonicContact OE2-NH1 3.7Å; E1015-R1018 PolarHBondContact OE2-NH1 3.43Å; R1018-R1020 VanDerWaalsContact C-N 3.34Å; R1018-R1020 PolarHBondContact O-N 3.49Å; R1018-F1021 CarbonylContact O-C 3.56Å; R1018-F1021 PolarHBondContact O-N 2.85Å; R1018-F1021 VanDerWaalsContact O-N 3.1Å; R1018-E1022 VanDerWaalsContact CD-OE1 3.3Å; R1018-E1022 WeakPolarHBondContact CD-OE1 3.09Å; R1018-E1022 HydrophobicContact CG-CG 4.21Å; R1018-E1022 WeakPolarHBondContact CG-OE1 3.16Å; R1018-E1022 WeakPolarHBondContact O-CB 3.19Å; R1018-E1022 WeakPolarHBondContact O-CG 3.39Å; R1018-E1022 PolarHBondContact O-N 3.03Å |
| 1019 | K | 47.5 | Very low | 46.4 | Very low | 117 Ų | 117 | 89.1 Ų | 89.1 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 179.9 | -77.5 | 168.3 | 177.6 | 156.8 | 0 | 113.2 | E1015 Q1016 I1017 S1023 | E1015-K1019 HydrophobicContact CG-CD 4.32Å; E1015-K1019 WeakPolarHBondContact O-CB 3.11Å; E1015-K1019 WeakPolarHBondContact O-CG 3.34Å; E1015-K1019 PolarHBondContact O-N 3.08Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.49Å; E1015-K1019 IonicContact OE1-NZ 2.74Å; E1015-K1019 PolarHBondContact OE1-NZ 3.48Å; Q1016-K1019 PolarHBondContact O-N 2.71Å; I1017-K1019 PolarHBondContact O-N 2.66Å; K1019-S1023 WeakPolarHBondContact O-CB 3.21Å; K1019-S1023 PolarHBondContact O-N 3.34Å; K1019-S1023 PolarHBondContact O-OG 2.88Å |
| 1020 | R | 42.7 | Very low | 44.7 | Very low | 123 Ų | 123 | 86.4 Ų | 86.4 | 46% | 0.464 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 169.3 | -78.1 | -176.9 | 178.4 | -177.4 | 2.8 | 112 | Q1016 I1017 R1018 S1023 S1024 S1279 D1280 | Q1016-R1020 WeakPolarHBondContact O-CG 3.38Å; Q1016-R1020 PolarHBondContact O-N 3.23Å; I1017-R1020 PolarHBondContact O-N 2.78Å; R1018-R1020 VanDerWaalsContact C-N 3.34Å; R1018-R1020 PolarHBondContact O-N 3.49Å; R1020-S1023 WeakPolarHBondContact CA-OG 3.19Å; R1020-S1023 CarbonylContact O-C 3.15Å; R1020-S1023 PolarHBondContact O-N 2.96Å; R1020-S1023 PolarHBondContact O-OG 3.03Å; R1020-S1024 PolarHBondContact O-N 3.43Å; R1020-S1024 PolarHBondContact O-OG 2.8Å; R1020-S1279 PolarHBondContact NH1-O 2.98Å; R1020-D1280 IonicContact CZ-OD2 3.94Å; R1020-D1280 IonicContact NH1-OD2 3.9Å; R1020-D1280 PolarHBondContact NH1-OD2 3.35Å; R1020-D1280 IonicContact NH2-OD2 3.16Å; R1020-D1280 PolarHBondContact NH2-OD2 2.82Å; R1020-D1280 VanDerWaalsContact NH2-OD2 3.1Å |
| 1021 | F | 37.3 | Very low | 43.1 | Very low | 60 Ų | 60 | 91.1 Ų | 91.1 | 26% | 0.263 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 178.2 | -94.6 | -85.1 | 0 | 0 | 0 | 112.5 | I1017 R1018 S1023 S1024 T1025 R1236 S1279 | I1017-F1021 HydrophobicContact CG2-CD2 3.87Å; I1017-F1021 HydrophobicContact CG2-CE2 4.21Å; I1017-F1021 PolarHBondContact O-N 3.48Å; R1018-F1021 CarbonylContact O-C 3.56Å; R1018-F1021 PolarHBondContact O-N 2.85Å; R1018-F1021 VanDerWaalsContact O-N 3.1Å; F1021-S1023 VanDerWaalsContact C-N 3.27Å; F1021-S1023 PolarHBondContact O-N 3.36Å; F1021-S1024 PolarHBondContact O-N 3.43Å; F1021-S1024 VanDerWaalsContact O-N 3.07Å; F1021-S1024 PolarHBondContact O-OG 3.13Å; F1021-T1025 HydrophobicContact CD1-CG2 4.14Å; F1021-T1025 WeakPolarHBondContact O-CB 3.25Å; F1021-T1025 WeakPolarHBondContact O-CG2 3.42Å; F1021-T1025 PolarHBondContact O-N 2.8Å; F1021-T1025 PolarHBondContact O-OG1 2.8Å; F1021-R1236 VanDerWaalsContact CZ-NH2 3.32Å; F1021-S1279 VanDerWaalsContact CE2-OG 3.3Å; F1021-S1279 WeakPolarHBondContact CE2-OG 3.15Å; F1021-S1279 WeakPolarHBondContact CZ-OG 3.3Å |
| 1022 | E | 37.2 | Very low | 41.5 | Very low | 98 Ų | 98 | 91.3 Ų | 91.3 | 46% | 0.458 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62 | -37.3 | 173 | -72.8 | 165.2 | 174.4 | 0 | 0 | 110.6 | R1018 S1024 | R1018-E1022 VanDerWaalsContact CD-OE1 3.3Å; R1018-E1022 WeakPolarHBondContact CD-OE1 3.09Å; R1018-E1022 HydrophobicContact CG-CG 4.21Å; R1018-E1022 WeakPolarHBondContact CG-OE1 3.16Å; R1018-E1022 WeakPolarHBondContact O-CB 3.19Å; R1018-E1022 WeakPolarHBondContact O-CG 3.39Å; R1018-E1022 PolarHBondContact O-N 3.03Å; E1022-S1024 VanDerWaalsContact C-N 3.3Å; E1022-S1024 PolarHBondContact O-N 2.81Å |
| 1023 | S | 34.3 | Very low | 39.6 | Very low | 84 Ų | 84 | 91 Ų | 91 | 59% | 0.587 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.7 | -7.4 | 172 | 69.9 | 0 | 0 | 0 | 0 | 116.2 | K1019 R1020 F1021 | K1019-S1023 WeakPolarHBondContact O-CB 3.21Å; K1019-S1023 PolarHBondContact O-N 3.34Å; K1019-S1023 PolarHBondContact O-OG 2.88Å; R1020-S1023 WeakPolarHBondContact CA-OG 3.19Å; R1020-S1023 CarbonylContact O-C 3.15Å; R1020-S1023 PolarHBondContact O-N 2.96Å; R1020-S1023 PolarHBondContact O-OG 3.03Å; F1021-S1023 VanDerWaalsContact C-N 3.27Å; F1021-S1023 PolarHBondContact O-N 3.36Å |
| 1024 | S | 32.8 | Very low | 37.9 | Very low | 50 Ų | 50 | 92 Ų | 92 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -122.3 | -18.6 | 179.2 | 64 | 0 | 0 | 0 | 0 | 114.6 | R1020 F1021 E1022 | R1020-S1024 PolarHBondContact O-N 3.43Å; R1020-S1024 PolarHBondContact O-OG 2.8Å; F1021-S1024 PolarHBondContact O-N 3.43Å; F1021-S1024 VanDerWaalsContact O-N 3.07Å; F1021-S1024 PolarHBondContact O-OG 3.13Å; E1022-S1024 VanDerWaalsContact C-N 3.3Å; E1022-S1024 PolarHBondContact O-N 2.81Å |
| 1025 | T | 33.1 | Very low | 36.6 | Very low | 75 Ų | 75 | 91.3 Ų | 91.3 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -86 | -22.7 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | F1021 E1027 N1028 | F1021-T1025 HydrophobicContact CD1-CG2 4.14Å; F1021-T1025 WeakPolarHBondContact O-CB 3.25Å; F1021-T1025 WeakPolarHBondContact O-CG2 3.42Å; F1021-T1025 PolarHBondContact O-N 2.8Å; F1021-T1025 PolarHBondContact O-OG1 2.8Å; T1025-E1027 PolarHBondContact O-N 3.34Å; T1025-N1028 PolarHBondContact O-N 2.66Å |
| 1026 | L | 32 | Very low | 35.1 | Very low | 130 Ų | 130 | 93.4 Ų | 93.4 | 68% | 0.681 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.6 | 168.4 | -105.1 | 72.2 | 0 | 0 | 0 | 113.1 | ||
| 1027 | E | 28 | Very low | 33.8 | Very low | 104 Ų | 104 | 91.3 Ų | 91.3 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -19.5 | -179.6 | -59.9 | -161.5 | 118.4 | 0 | 0 | 113.5 | T1025 K1532 | T1025-E1027 PolarHBondContact O-N 3.34Å; E1027-K1532 WeakPolarHBondContact O-CB 3.36Å |
| 1028 | N | 24.7 | Very low | 32.5 | Very low | 127 Ų | 127 | 96.7 Ų | 96.7 | 68% | 0.679 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -109.6 | 14.7 | -175 | -91.2 | -51.6 | 0 | 0 | 0 | 115 | T1025 | T1025-N1028 PolarHBondContact O-N 2.66Š|
| 1029 | S | 28.5 | Very low | 31.4 | Very low | 107 Ų | 107 | 98.9 Ų | 98.9 | 75% | 0.748 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -121.8 | 26.8 | 166.8 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1030 | V | 27.6 | Very low | 30.3 | Very low | 52 Ų | 52 | 96.8 Ų | 96.8 | 32% | 0.315 | 52% | 0.52 | S | S | . | . | trans | -136.8 | 84.7 | 179.4 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | K1532 | V1030-K1532 HydrophobicContact CB-CD 4.08Å; V1030-K1532 HydrophobicContact CG1-CD 4.46Å; V1030-K1532 WeakPolarHBondContact O-CD 3.47Å; V1030-K1532 WeakPolarHBondContact O-CE 3.49Å; V1030-K1532 VanDerWaalsContact O-CG 3.28Å; V1030-K1532 WeakPolarHBondContact O-CG 3.12Å | ||
| 1031 | V | 30.9 | Very low | 29.5 | Very low | 115 Ų | 115 | 94.7 Ų | 94.7 | 70% | 0.697 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -95.2 | 113.9 | 144.3 | 167.8 | 0 | 0 | 0 | 0 | 105.9 | ||
| 1032 | N | 30.6 | Very low | 29.2 | Very low | 75 Ų | 75 | 97.4 Ų | 97.4 | 40% | 0.401 | 53% | 0.534 | S | S | . | . | S | Bend | cis | -143.1 | 126.2 | -10.2 | -103.7 | -31.4 | 0 | 0 | 0 | 105.9 | Q1530 | N1032-Q1530 PolarHBondContact ND2-O 2.83Å; N1032-Q1530 PolarHBondContact OD1-O 3.48Å |
| 1033 | S | 25.8 | Very low | 28.6 | Very low | 52 Ų | 52 | 97.3 Ų | 97.3 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | 81.6 | 108.4 | 93.5 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | K1532 | S1033-K1532 WeakPolarHBondContact OG-CE 3.33Š| |||
| 1034 | V | 26.7 | Very low | 28.2 | Very low | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | 57.4 | 104.1 | 55.3 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | D1036 | V1034-D1036 WeakPolarHBondContact CG1-OD2 3.45Š| |||
| 1035 | V | 28.4 | Very low | 28 | Very low | 125 Ų | 125 | 106.1 Ų | 106.1 | 76% | 0.758 | 57% | 0.572 | S | S | * | * | trans | -138.9 | 100.7 | 132.4 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1036 | D | 27.2 | Very low | 27.6 | Very low | 104 Ų | 104 | 108.6 Ų | 108.6 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | trans | -36.4 | 155.4 | 152.7 | -62.3 | -105 | 0 | 0 | 0 | 111.5 | V1034 | V1034-D1036 WeakPolarHBondContact CG1-OD2 3.45Š| ||
| 1037 | P | 31.5 | Very low | 27.3 | Very low | 74 Ų | 74 | 108.7 Ų | 108.7 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | -165.8 | 179.5 | 51 | 45 | -22.7 | 0 | 0 | 0 | 120.1 | |||||
| 1038 | K | 26.7 | Very low | 27.2 | Very low | 152 Ų | 152 | 107.6 Ų | 107.6 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | trans | 62.3 | 166 | 135.3 | -81.1 | 167.2 | -171.2 | 172.4 | 0 | 118.4 | S746 Q747 | S746-K1038 WeakPolarHBondContact CA-O 3.49Å; S746-K1038 WeakPolarHBondContact CB-O 3.22Å; Q747-K1038 PolarHBondContact N-O 2.72Å | ||
| 1039 | R | 25.3 | Very low | 27.3 | Very low | 181 Ų | 181 | 109.7 Ų | 109.7 | 68% | 0.683 | 60% | 0.597 | S | S | * | * | cis | -166.4 | 146 | -36.2 | -148.5 | -161.2 | 171.9 | 156.9 | 0.6 | 106.6 | S746 | S746-R1039 VanDerWaalsContact OG-CA 3.28Å; S746-R1039 WeakPolarHBondContact OG-CA 3.48Å; S746-R1039 PolarHBondContact OG-N 3.23Å | ||
| 1040 | N | 25.8 | Very low | 27.1 | Very low | 73 Ų | 73 | 110.9 Ų | 110.9 | 39% | 0.39 | 60% | 0.595 | S | S | . | * | trans | 60.3 | 142.1 | 160.7 | -67.9 | 10.2 | 0 | 0 | 0 | 115.6 | H744 I1042 | H744-N1040 CarbonylContact O-C 3.49Å; N1040-I1042 HydrophobicContact CB-CD1 4.3Å | ||
| 1041 | D | 25.3 | Very low | 26.9 | Very low | 78 Ų | 78 | 112.8 Ų | 112.8 | 42% | 0.417 | 61% | 0.611 | S | S | . | * | -156 | 149 | 97.8 | -92.4 | -17 | 0 | 0 | 0 | 105.3 | H744 | H744-D1041 HydrophobicContact CB-CB 4.24Å; H744-D1041 PolarHBondContact CD2-O 2.78Å; H744-D1041 VanDerWaalsContact CE1-CB 3.45Å; H744-D1041 WeakPolarHBondContact CE1-CB 3.4Å; H744-D1041 WeakPolarHBondContact ND1-CB 3.23Å | |||
| 1042 | I | 30.4 | Very low | 26.5 | Very low | 118 Ų | 118 | 114 Ų | 114 | 61% | 0.605 | 61% | 0.614 | S | S | * | * | cis | 66.6 | 74.5 | 43.9 | -51.3 | 173.7 | 0 | 0 | 0 | 108.2 | H744 N1040 | H744-I1042 PolarHBondContact CE1-O 3.42Å; N1040-I1042 HydrophobicContact CB-CD1 4.3Å | ||
| 1043 | T | 24.8 | Very low | 26.2 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | -130.4 | 172.4 | 88.2 | 49.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1044 | E | 25.6 | Very low | 26.1 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | cis | -154.1 | 145.1 | -15.3 | -112.9 | 141.5 | -175.8 | 0 | 0 | 107.2 | ||||
| 1045 | D | 28.4 | Very low | 26.2 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | trans | 177.1 | 67.6 | 150.5 | -107.2 | -11.7 | 0 | 0 | 0 | 109.6 | ||||
| 1046 | D | 26.3 | Very low | 26.1 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 67% | 0.674 | 66% | 0.66 | S | S | * | * | 37.2 | 141.5 | 121.3 | -99.8 | 25 | 0 | 0 | 0 | 123.6 | |||||
| 1047 | N | 25.1 | Very low | 26.1 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | 50.5 | 88.8 | 140.1 | -71.4 | -51.6 | 0 | 0 | 0 | 118.8 | ||||
| 1048 | A | 24.5 | Very low | 26 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | 15.6 | 129.3 | 117.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1049 | H | 27.5 | Very low | 26 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | -154.5 | 129.7 | 120.3 | -104 | 18.3 | 0 | 0 | 0 | 114.1 | |||||
| 1050 | N | 24.4 | Very low | 26.2 | Very low | 131 Ų | 131 | 120.5 Ų | 120.5 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | trans | 49.2 | 119.8 | 142.1 | -75.5 | -47.7 | 0 | 0 | 0 | 122.3 | ||||
| 1051 | S | 23.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | 85.2 | 122.2 | 121.2 | 84.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1052 | N | 23 | Very low | 26.5 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | 43.7 | 112.8 | 126.6 | -60.4 | -25.4 | 0 | 0 | 0 | 120.1 | |||||
| 1053 | A | 24.4 | Very low | 26.4 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 69% | 0.687 | S | S | * | * | trans | 71.7 | 165 | 154.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1054 | V | 24.2 | Very low | 26.7 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 78% | 0.782 | 70% | 0.695 | S | S | * | * | cis | -133.7 | 121.8 | 30.7 | 160.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1055 | H | 27.7 | Very low | 26.8 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | 52 | 96.9 | 144.5 | -70.5 | -100.6 | 0 | 0 | 0 | 120.3 | ||||
| 1056 | S | 26.7 | Very low | 26.7 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | -9.9 | 134.8 | 110.1 | 164 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1057 | E | 26.3 | Very low | 26.8 | Very low | 141 Ų | 141 | 123 Ų | 123 | 66% | 0.659 | 68% | 0.678 | S | S | * | * | -171.6 | 139.4 | 112.3 | -78.2 | -131.5 | 135.2 | 0 | 0 | 109.2 | |||||
| 1058 | K | 30.9 | Very low | 27 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | cis | 105.7 | 117.4 | 21.7 | 173.1 | -145.3 | -169.7 | -176.1 | 0 | 111.8 | T1060 N1061 | K1058-T1060 HydrophobicContact CD-CG2 4.1Å; K1058-T1060 HydrophobicContact CG-CG2 4.05Å; K1058-N1061 WeakPolarHBondContact CE-OD1 3.15Å | ||
| 1059 | L | 27.1 | Very low | 27 | Very low | 170 Ų | 170 | 121.2 Ų | 121.2 | 89% | 0.89 | 66% | 0.664 | S | S | * | * | trans | -124.7 | 82.5 | 150.1 | -76 | 177.8 | 0 | 0 | 0 | 107.3 | ||||
| 1060 | T | 27.7 | Very low | 27 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 45% | 0.454 | 64% | 0.638 | S | S | . | * | 84.3 | 107.8 | 81.5 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | K1058 | K1058-T1060 HydrophobicContact CD-CG2 4.1Å; K1058-T1060 HydrophobicContact CG-CG2 4.05Å | |||
| 1061 | N | 29 | Very low | 27 | Very low | 116 Ų | 116 | 114 Ų | 114 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | 91.3 | 163.9 | 95.9 | -66.1 | 1.1 | 0 | 0 | 0 | 111 | K1058 | K1058-N1061 WeakPolarHBondContact CE-OD1 3.15Š| |||
| 1062 | T | 28.7 | Very low | 27 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | cis | -149.1 | 174.3 | 10.9 | -24.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1063 | E | 29.3 | Very low | 27.1 | Very low | 146 Ų | 146 | 112 Ų | 112 | 68% | 0.682 | 62% | 0.624 | S | S | * | * | trans | 68.8 | 102.2 | 161.4 | -72.6 | 123.9 | -128.7 | 0 | 0 | 116.4 | ||||
| 1064 | N | 30.5 | Very low | 27 | Very low | 141 Ų | 141 | 112.4 Ų | 112.4 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | cis | 72.8 | 157.8 | 38.9 | -49.8 | -30.4 | 0 | 0 | 0 | 115.3 | ||||
| 1065 | K | 28.8 | Very low | 27 | Very low | 157 Ų | 157 | 111 Ų | 111 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | trans | 85.4 | 136 | 164.4 | -61.9 | 177.9 | 158.4 | -76.9 | 0 | 116.3 | ||||
| 1066 | E | 25.8 | Very low | 26.9 | Very low | 140 Ų | 140 | 110.2 Ų | 110.2 | 65% | 0.654 | 62% | 0.617 | S | S | * | * | cis | -162.1 | 154.2 | -8 | -128.3 | 153.5 | -175.8 | 0 | 0 | 115.4 | ||||
| 1067 | A | 28.1 | Very low | 26.7 | Very low | 69 Ų | 69 | 112.2 Ų | 112.2 | 57% | 0.57 | 62% | 0.621 | S | S | * | * | trans | 78.6 | 148 | 137 | 0 | 0 | 0 | 0 | 0 | 123.7 | T790 | T790-A1067 VanDerWaalsContact OG1-C 3.22Å; T790-A1067 PolarHBondContact OG1-O 3.35Å; T790-A1067 VanDerWaalsContact OG1-O 3.09Å | ||
| 1068 | A | 28.5 | Very low | 26.6 | Very low | 53 Ų | 53 | 114.5 Ų | 114.5 | 44% | 0.438 | 63% | 0.628 | S | S | . | * | trans | 77.1 | 146.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | T790 | T790-A1068 CarbonylContact C-O 3.55Å; T790-A1068 VanDerWaalsContact C-O 3.29Å; T790-A1068 WeakPolarHBondContact CB-O 3.42Å; T790-A1068 VanDerWaalsContact O-O 3.08Å; T790-A1068 PolarHBondContact OG1-N 3.28Å; T790-A1068 PolarHBondContact OG1-O 2.88Å | ||
| 1069 | N | 25.9 | Very low | 26.2 | Very low | 122 Ų | 122 | 116.4 Ų | 116.4 | 65% | 0.652 | 64% | 0.643 | S | S | * | * | cis | -161.1 | 146.7 | -24 | -106.5 | -5 | 0 | 0 | 0 | 108.6 | S791 | S791-N1069 CarbonylContact O-C 3.48Å; S791-N1069 VanDerWaalsContact O-O 3.09Å | ||
| 1070 | C | 26 | Very low | 26.4 | Very low | 35 Ų | 35 | 113.3 Ų | 113.3 | 24% | 0.236 | 63% | 0.633 | C | S | . | * | 88.6 | 59.9 | 50.6 | -146.6 | 0 | 0 | 0 | 0 | 114.1 | S791 V792 Q793 | S791-C1070 PolarHBondContact O-N 3.12Å; V792-C1070 HydrophobicContact CB-CB 3.97Å; V792-C1070 HydrophobicContact CG2-CB 3.43Å; V792-C1070 VanDerWaalsContact CG2-CB 3.43Å; V792-C1070 VanDerWaalsContact CG2-SG 3.53Å; V792-C1070 WeakPolarHBondContact O-CA 3.48Å; V792-C1070 PolarHBondContact O-N 2.82Å; Q793-C1070 VanDerWaalsContact CD-C 3.49Å; Q793-C1070 HydrophobicContact CG-CB 4.21Å; Q793-C1070 WeakPolarHBondContact CG-SG 3.49Å; Q793-C1070 PolarHBondContact NE2-O 3.43Å; Q793-C1070 VanDerWaalsContact NE2-O 3.1Å; Q793-C1070 PolarHBondContact NE2-SG 2.85Å | |||
| 1071 | T | 25.7 | Very low | 26.3 | Very low | 115 Ų | 115 | 116.6 Ų | 116.6 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | trans | -171.7 | 165.1 | 156.1 | 37.4 | 0 | 0 | 0 | 0 | 112.8 | V792 | V792-T1071 PolarHBondContact O-N 3.32Š| ||
| 1072 | D | 23.7 | Very low | 26.3 | Very low | 85 Ų | 85 | 116.3 Ų | 116.3 | 46% | 0.455 | 65% | 0.65 | S | S | . | * | cis | -176.4 | 173.5 | -45.8 | -145.6 | 3.4 | 0 | 0 | 0 | 108.4 | Q793 N794 | Q793-D1072 PolarHBondContact OE1-OD1 2.88Å; Q793-D1072 PolarHBondContact OE1-OD2 3.36Å; N794-D1072 WeakPolarHBondContact CB-OD1 3.3Å; N794-D1072 VanDerWaalsContact ND2-CG 3.27Å; N794-D1072 PolarHBondContact ND2-OD1 2.67Å; N794-D1072 PolarHBondContact ND2-OD2 3.15Å | ||
| 1073 | T | 24.4 | Very low | 26.2 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | trans | 47.2 | 110.1 | 152.9 | 57.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1074 | S | 23.2 | Very low | 26.1 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | 25.5 | 138.9 | 121.2 | 67.8 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1075 | S | 24 | Very low | 25.9 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | 105.7 | 106.8 | 135.9 | -60 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1076 | I | 23.9 | Very low | 25.7 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | 72 | 117.3 | 129.2 | -59 | 168 | 0 | 0 | 0 | 120.8 | |||||
| 1077 | D | 24.1 | Very low | 25.7 | Very low | 136 Ų | 136 | 113.2 Ų | 113.2 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | trans | 23.3 | 123 | 148.1 | -48 | -27.8 | 0 | 0 | 0 | 122.1 | ||||
| 1078 | K | 23.9 | Very low | 25.7 | Very low | 188 Ų | 188 | 116.6 Ų | 116.6 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | 177.8 | 165.7 | 106.2 | -96.9 | 150.5 | -167.7 | 159.3 | 0 | 115.5 | |||||
| 1079 | I | 22.4 | Very low | 25.6 | Very low | 153 Ų | 153 | 120.3 Ų | 120.3 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -35.8 | 154.8 | 148.9 | 28.1 | 172.2 | 0 | 0 | 0 | 113.6 | ||||
| 1080 | P | 31.2 | Very low | 25.7 | Very low | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | cis | -142.1 | -166.8 | -40 | 37.1 | -17.5 | 0 | 0 | 0 | 112.7 | ||||
| 1081 | N | 25.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | trans | 73.1 | 172.7 | 142.4 | -162.6 | 12.5 | 0 | 0 | 0 | 117.6 | ||||
| 1082 | V | 27.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 122 Ų | 122 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | trans | 62.7 | 118 | 164.4 | 175.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1083 | N | 27.3 | Very low | 26 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 57% | 0.572 | 68% | 0.683 | S | S | * | * | cis | -174.8 | 176.5 | -2.8 | -119 | -40.5 | 0 | 0 | 0 | 107.1 | ||||
| 1084 | K | 27.1 | Very low | 26.4 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | trans | 17.2 | 121.3 | 135.7 | -49.4 | 160 | -171.2 | -179.5 | 0 | 115.5 | ||||
| 1085 | N | 26.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | -155.4 | 148.2 | 60.2 | -79.8 | -67.3 | 0 | 0 | 0 | 109.4 | |||||
| 1086 | N | 23.6 | Very low | 26.5 | Very low | 126 Ų | 126 | 126 Ų | 126 | 67% | 0.674 | 69% | 0.685 | S | S | * | * | 62.3 | 156.3 | 62.3 | -60.3 | 9 | 0 | 0 | 0 | 113.1 | |||||
| 1087 | S | 27.2 | Very low | 26.3 | Very low | 95 Ų | 95 | 123.8 Ų | 123.8 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | 57.7 | 90.6 | -172.8 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1088 | E | 26.4 | Very low | 26 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 65% | 0.654 | 67% | 0.674 | S | S | * | * | 64.8 | 127.8 | 52.7 | -49.2 | 154.5 | 81 | 0 | 0 | 114.4 | L1090 | E1088-L1090 HydrophobicContact CB-CB 4.27Å; E1088-L1090 HydrophobicContact CB-CD1 3.73Å; E1088-L1090 HydrophobicContact CB-CG 3.78Å; E1088-L1090 HydrophobicContact CG-CD1 3.74Å; E1088-L1090 HydrophobicContact CG-CG 4.15Å | |||
| 1089 | C | 27.7 | Very low | 26 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 89% | 0.885 | 67% | 0.674 | S | S | * | * | trans | 177.3 | 47.3 | 152.8 | -92.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 1090 | L | 27.3 | Very low | 25.9 | Very low | 116 Ų | 116 | 117.6 Ų | 117.6 | 61% | 0.607 | 66% | 0.656 | S | S | * | * | 49.9 | 113.6 | 73.8 | -81.3 | -161.9 | 0 | 0 | 0 | 113.6 | E1088 | E1088-L1090 HydrophobicContact CB-CB 4.27Å; E1088-L1090 HydrophobicContact CB-CD1 3.73Å; E1088-L1090 HydrophobicContact CB-CG 3.78Å; E1088-L1090 HydrophobicContact CG-CD1 3.74Å; E1088-L1090 HydrophobicContact CG-CG 4.15Å | |||
| 1091 | S | 27.1 | Very low | 25.5 | Very low | 80 Ų | 80 | 115.2 Ų | 115.2 | 56% | 0.559 | 64% | 0.635 | S | S | * | * | trans | 59.7 | 118.2 | 136.6 | -48.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1092 | K | 25.9 | Very low | 25.3 | Very low | 111 Ų | 111 | 113.9 Ų | 113.9 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | -164.9 | 121.7 | 114.5 | -103.1 | 141.7 | 159.3 | -130 | 0 | 111.9 | T1150 R1151 | K1092-T1150 WeakPolarHBondContact CD-OG1 3.41Å; K1092-T1150 PolarHBondContact NZ-OG1 2.86Å; K1092-R1151 HydrophobicContact CB-CB 4.2Å; K1092-R1151 VanDerWaalsContact CB-N 3.32Å; K1092-R1151 HydrophobicContact CD-CB 4.27Å; K1092-R1151 PolarHBondContact N-O 2.8Å; K1092-R1151 VanDerWaalsContact O-O 3.12Å | |||
| 1093 | D | 29.3 | Very low | 25.2 | Very low | 118 Ų | 118 | 111.9 Ų | 111.9 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | trans | -64.2 | 162.8 | 178.6 | -45.3 | -89.4 | 0 | 0 | 0 | 111.7 | Y1095 | D1093-Y1095 PolarHBondContact O-N 3.02Š| ||
| 1094 | P | 32.2 | Very low | 25.3 | Very low | 122 Ų | 122 | 112.3 Ų | 112.3 | 79% | 0.792 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -70.9 | 64.8 | 157.2 | 34.7 | -35.8 | 0 | 0 | 0 | 110.7 | ||
| 1095 | Y | 26.7 | Very low | 25.6 | Very low | 149 Ų | 149 | 113.3 Ų | 113.3 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | trans | 68.1 | 136.4 | 167 | -49.8 | -82.6 | 0 | 0 | 0 | 114.1 | D1093 N1149 | D1093-Y1095 PolarHBondContact O-N 3.02Å; Y1095-N1149 PolarHBondContact OH-N 2.98Å; Y1095-N1149 PolarHBondContact OH-O 3.08Å; Y1095-N1149 VanDerWaalsContact OH-O 3.06Å | ||
| 1096 | A | 22.1 | Very low | 26 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 72% | 0.719 | 61% | 0.605 | S | S | * | * | cis | 59.7 | 138.3 | 49.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1097 | S | 19.4 | Very low | 26.4 | Very low | 96 Ų | 96 | 114 Ų | 114 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | cis | -140.5 | -164.5 | 8.6 | 42.9 | 0 | 0 | 0 | 0 | 109.7 | D1099 | S1097-D1099 PolarHBondContact O-N 2.81Š| ||
| 1098 | N | 19.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 57% | 0.572 | 61% | 0.61 | S | S | * | * | -2.4 | 122.5 | 119.2 | -39.7 | 26.1 | 0 | 0 | 0 | 111.3 | E1100 | N1098-E1100 HydrophobicContact CB-CB 3.82Š| |||
| 1099 | D | 23.3 | Very low | 27 | Very low | 152 Ų | 152 | 116.3 Ų | 116.3 | 81% | 0.813 | 61% | 0.607 | S | S | * | * | -122.7 | 132 | 54.5 | -64.5 | -35.1 | 0 | 0 | 0 | 112.9 | S1097 | S1097-D1099 PolarHBondContact O-N 2.81Š| |||
| 1100 | E | 20.9 | Very low | 27.2 | Very low | 89 Ų | 89 | 116.3 Ų | 116.3 | 42% | 0.416 | 59% | 0.594 | S | S | . | * | cis | 53.4 | 65.5 | 24.8 | -119.9 | -80.7 | 117.8 | 0 | 0 | 108 | N1098 | N1098-E1100 HydrophobicContact CB-CB 3.82Š| ||
| 1101 | K | 22.2 | Very low | 27.5 | Very low | 54 Ų | 54 | 117.7 Ų | 117.7 | 24% | 0.235 | 60% | 0.595 | C | S | . | * | -174.8 | 136.2 | 81.4 | -99.1 | 166.1 | 150.6 | 83.2 | 0 | 112 | D1122 E1123 E1124 | K1101-D1122 WeakPolarHBondContact CE-OD1 3.2Å; K1101-D1122 IonicContact NZ-OD1 2.77Å; K1101-D1122 PolarHBondContact NZ-OD1 3.26Å; K1101-E1123 VanDerWaalsContact NZ-N 3.2Å; K1101-E1124 VanDerWaalsContact CD-OE1 3.25Å; K1101-E1124 WeakPolarHBondContact CD-OE1 3.42Å; K1101-E1124 WeakPolarHBondContact CE-OE1 3.33Å | |||
| 1102 | K | 22.2 | Very low | 27.8 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | 83.7 | -170.5 | 88 | -166.6 | 178 | 164.7 | -179.4 | 0 | 109.7 | D1122 E1124 | K1102-D1122 IonicContact NZ-OD1 3.5Å; K1102-E1124 IonicContact NZ-OE1 3.22Å; K1102-E1124 PolarHBondContact NZ-OE1 3.38Å; K1102-E1124 IonicContact NZ-OE2 2.92Å; K1102-E1124 PolarHBondContact NZ-OE2 2.82Å | |||
| 1103 | V | 25.5 | Very low | 28.3 | Very low | 69 Ų | 69 | 121.8 Ų | 121.8 | 42% | 0.418 | 62% | 0.616 | S | S | . | * | trans | 27.8 | 114.5 | 161.7 | -86 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1104 | K | 28.3 | Very low | 28.5 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 50% | 0.5 | 63% | 0.626 | S | S | . | * | cis | -144.9 | 117.5 | 34 | -65.5 | -175.9 | 176.7 | 73.1 | 0 | 110.1 | E1126 | K1104-E1126 IonicContact NZ-OE1 2.79Å; K1104-E1126 PolarHBondContact NZ-OE1 3.05Å; K1104-E1126 IonicContact NZ-OE2 2.72Å; K1104-E1126 PolarHBondContact NZ-OE2 3.48Å | ||
| 1105 | R | 33.3 | Very low | 28.5 | Very low | 176 Ų | 176 | 121.8 Ų | 121.8 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | 87.2 | 143.9 | 103.7 | -72.8 | 174.5 | -172 | 161.5 | 2.9 | 112.5 | |||||
| 1106 | E | 35.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | cis | -143.1 | 120.4 | -4.7 | -118 | 132.2 | -167.8 | 0 | 0 | 105.8 | ||||
| 1107 | N | 32.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | 82.1 | 149.7 | 85.2 | -73.3 | 1.2 | 0 | 0 | 0 | 113.2 | |||||
| 1108 | K | 33.4 | Very low | 29.8 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 76% | 0.757 | 63% | 0.634 | S | S | * | * | trans | 81.3 | 142.4 | 165.1 | -52.9 | -160 | 155.2 | -71.4 | 0 | 117 | ||||
| 1109 | D | 32.6 | Very low | 30.5 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | cis | 180 | 155.6 | -15.9 | -92.8 | -16.6 | 0 | 0 | 0 | 102.7 | ||||
| 1110 | E | 31.3 | Very low | 31.1 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | cis | -170.3 | 160.7 | 3.8 | -121.4 | -173.7 | 159.2 | 0 | 0 | 107.7 | ||||
| 1111 | K | 33.3 | Very low | 31.7 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 64% | 0.635 | 67% | 0.665 | S | S | * | * | trans | 68.4 | 160.1 | 144.8 | -67.2 | 178.6 | 172.3 | 132.7 | 0 | 119.9 | ||||
| 1112 | D | 34 | Very low | 32.4 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | cis | -166.3 | 151.1 | -17 | -94.6 | -18.1 | 0 | 0 | 0 | 105 | ||||
| 1113 | D | 35.3 | Very low | 33.1 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | cis | -146.3 | -165.6 | -20.1 | -152.4 | 1.1 | 0 | 0 | 0 | 104.6 | ||||
| 1114 | E | 34.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | cis | -153.2 | 168.2 | 9 | -149.1 | -163.8 | 114.9 | 0 | 0 | 104.1 | ||||
| 1115 | G | 32.9 | Very low | 33.9 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | cis | 174 | 148.5 | 0.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1116 | E | 31.9 | Very low | 34 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | cis | -125.1 | -171 | 13.8 | -63.1 | 175.8 | 111.7 | 0 | 0 | 109.1 | ||||
| 1117 | Q | 31.6 | Very low | 33.8 | Very low | 148 Ų | 148 | 137 Ų | 137 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | cis | -179.6 | 170.9 | -20.8 | -97.8 | 160.3 | 34.6 | 0 | 0 | 104.3 | ||||
| 1118 | E | 31.9 | Very low | 33.8 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | cis | -171.3 | 163.3 | -31.1 | -102.5 | -162.1 | -100.7 | 0 | 0 | 105.7 | ||||
| 1119 | A | 33.4 | Very low | 33.5 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | cis | -167.8 | 173.2 | -16 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1120 | G | 35.9 | Very low | 33.2 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | 114.5 | 166.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1121 | E | 34.7 | Very low | 33 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | cis | -155.6 | -170.9 | -10.5 | -157.6 | 160.5 | -117.9 | 0 | 0 | 109 | ||||
| 1122 | D | 36.8 | Very low | 32.6 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 51% | 0.513 | 73% | 0.731 | S | S | . | * | trans | -129.9 | -161.1 | -175.3 | -132.7 | -44.9 | 0 | 0 | 0 | 112.5 | K1101 K1102 | K1101-D1122 WeakPolarHBondContact CE-OD1 3.2Å; K1101-D1122 IonicContact NZ-OD1 2.77Å; K1101-D1122 PolarHBondContact NZ-OD1 3.26Å; K1102-D1122 IonicContact NZ-OD1 3.5Å | ||
| 1123 | E | 36.4 | Very low | 32.3 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | cis | -162.7 | 71.1 | 34.9 | -161.4 | -177.2 | -150.2 | 0 | 0 | 115.2 | K1101 | K1101-E1123 VanDerWaalsContact NZ-N 3.2Š| ||
| 1124 | E | 33.4 | Very low | 31.7 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 50% | 0.5 | 73% | 0.734 | S | S | . | * | trans | 69.3 | 176.5 | 163.7 | -45.9 | -68.4 | 37.5 | 0 | 0 | 117.3 | K1101 K1102 | K1101-E1124 VanDerWaalsContact CD-OE1 3.25Å; K1101-E1124 WeakPolarHBondContact CD-OE1 3.42Å; K1101-E1124 WeakPolarHBondContact CE-OE1 3.33Å; K1102-E1124 IonicContact NZ-OE1 3.22Å; K1102-E1124 PolarHBondContact NZ-OE1 3.38Å; K1102-E1124 IonicContact NZ-OE2 2.92Å; K1102-E1124 PolarHBondContact NZ-OE2 2.82Å | ||
| 1125 | V | 37.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | cis | -158.3 | 163.6 | 17.4 | 75.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1126 | E | 35.5 | Very low | 30.9 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 57% | 0.57 | 73% | 0.726 | S | S | * | * | trans | -74.8 | 156 | 176.1 | -66.6 | 175.9 | -155.5 | 0 | 0 | 113.8 | K1104 | K1104-E1126 IonicContact NZ-OE1 2.79Å; K1104-E1126 PolarHBondContact NZ-OE1 3.05Å; K1104-E1126 IonicContact NZ-OE2 2.72Å; K1104-E1126 PolarHBondContact NZ-OE2 3.48Å | ||
| 1127 | E | 31.7 | Very low | 30.5 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | cis | -173.1 | -162.1 | -17.5 | -156.9 | -114 | -75.1 | 0 | 0 | 109.3 | ||||
| 1128 | A | 31.6 | Very low | 30.2 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 118 | 121.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1129 | E | 27.1 | Very low | 29.7 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | 82.8 | 123.2 | 126.1 | -83.2 | -157.2 | -137.2 | 0 | 0 | 128.1 | |||||
| 1130 | T | 26.4 | Very low | 29.2 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | 94 | 120 | 119.8 | -63.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 1131 | E | 25.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | trans | 66.8 | 139 | 148.7 | -85.1 | -176 | -164.6 | 0 | 0 | 127.3 | ||||
| 1132 | Q | 26 | Very low | 28.2 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | 56.9 | 157.4 | 148.1 | -60.2 | -177 | 57.7 | 0 | 0 | 119.9 | ||||
| 1133 | G | 27 | Very low | 27.7 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | cis | 166.9 | 114.4 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1134 | V | 24.3 | Very low | 27.1 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | 62.1 | 136.8 | 153.6 | -167 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1135 | D | 25 | Very low | 26.7 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 100 | 165.2 | 150.6 | -115.1 | -51.5 | 0 | 0 | 0 | 123.9 | ||||
| 1136 | T | 24 | Very low | 26.3 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 56% | 0.564 | 75% | 0.75 | S | S | * | * | trans | -90.3 | 161.4 | -141.5 | 38.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1137 | K | 23.9 | Very low | 25.9 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | 96.8 | 139.4 | 145.2 | -70.4 | 132.6 | -171 | 148.9 | 0 | 121.5 | ||||
| 1138 | R | 24.8 | Very low | 25.6 | Very low | 235 Ų | 235 | 139.3 Ų | 139.3 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 77.2 | 103.2 | 146 | -77.4 | 173.4 | 177.8 | 176.3 | -0.6 | 121.4 | ||||
| 1139 | A | 22.5 | Very low | 25.3 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | 64.1 | 131.8 | 115.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1140 | C | 22.2 | Very low | 25.3 | Very low | 116 Ų | 116 | 134 Ų | 134 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | trans | 72 | 116.8 | 149 | -78.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1141 | K | 24.1 | Very low | 25.3 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 89% | 0.891 | 71% | 0.711 | S | S | * | * | trans | 60.7 | 85.6 | 137.3 | -62.2 | -177.4 | 177.1 | 179.7 | 0 | 119.2 | ||||
| 1142 | S | 26.6 | Very low | 25.2 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | trans | -149.8 | 110.5 | 140.8 | 54.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1143 | S | 25.5 | Very low | 25.2 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | 89.9 | 115 | 108.4 | -62.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 1144 | L | 23 | Very low | 25.2 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | 70.8 | 107.1 | 56.7 | -170.6 | 70.3 | 0 | 0 | 0 | 112.2 | |||||
| 1145 | K | 24.9 | Very low | 25.4 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | 66.6 | 82.4 | 162.7 | -61.8 | 166.1 | -175.9 | 176 | 0 | 117.9 | L1147 | K1145-L1147 HydrophobicContact CB-CD1 3.74Å; K1145-L1147 HydrophobicContact CB-CG 3.89Å; K1145-L1147 HydrophobicContact CD-CD1 4.29Å; K1145-L1147 HydrophobicContact CG-CD1 3.89Å; K1145-L1147 HydrophobicContact CG-CG 4.01Å | ||
| 1146 | Q | 31.2 | Very low | 25.4 | Very low | 200 Ų | 200 | 132 Ų | 132 | 94% | 0.935 | 69% | 0.686 | S | S | * | * | -127.8 | 96.4 | 108.3 | -63.4 | -166.5 | 12.8 | 0 | 0 | 105.7 | |||||
| 1147 | L | 25.6 | Very low | 25.6 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 58% | 0.576 | 70% | 0.695 | S | S | * | * | 54.2 | 113.3 | 62.8 | -69.2 | 172.7 | 0 | 0 | 0 | 113.5 | K1145 | K1145-L1147 HydrophobicContact CB-CD1 3.74Å; K1145-L1147 HydrophobicContact CB-CG 3.89Å; K1145-L1147 HydrophobicContact CD-CD1 4.29Å; K1145-L1147 HydrophobicContact CG-CD1 3.89Å; K1145-L1147 HydrophobicContact CG-CG 4.01Å | |||
| 1148 | K | 26.1 | Very low | 25.8 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | 70.5 | 134.6 | 142.3 | -67.8 | 175.8 | 179.3 | -179.5 | 0 | 115.3 | ||||
| 1149 | N | 25.2 | Very low | 26.2 | Very low | 90 Ų | 90 | 130 Ų | 130 | 48% | 0.481 | 68% | 0.678 | S | S | . | * | cis | -151.7 | 130.5 | 40.8 | -109.6 | -29.1 | 0 | 0 | 0 | 113.9 | Y1095 | Y1095-N1149 PolarHBondContact OH-N 2.98Å; Y1095-N1149 PolarHBondContact OH-O 3.08Å; Y1095-N1149 VanDerWaalsContact OH-O 3.06Å | ||
| 1150 | T | 27.4 | Very low | 26.4 | Very low | 46 Ų | 46 | 131.8 Ų | 131.8 | 28% | 0.282 | 67% | 0.674 | S | S | . | * | trans | 73.7 | 152.2 | 139.2 | 62.5 | 0 | 0 | 0 | 0 | 118.1 | K1092 | K1092-T1150 WeakPolarHBondContact CD-OG1 3.41Å; K1092-T1150 PolarHBondContact NZ-OG1 2.86Å | ||
| 1151 | R | 26.2 | Very low | 26.6 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 55% | 0.547 | 67% | 0.672 | S | S | . | * | cis | -171.1 | 159.5 | -10.7 | -102.5 | 174.1 | -157 | 144.6 | 7.8 | 105.9 | K1092 | K1092-R1151 HydrophobicContact CB-CB 4.2Å; K1092-R1151 VanDerWaalsContact CB-N 3.32Å; K1092-R1151 HydrophobicContact CD-CB 4.27Å; K1092-R1151 PolarHBondContact N-O 2.8Å; K1092-R1151 VanDerWaalsContact O-O 3.12Å | ||
| 1152 | D | 24.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 60% | 0.604 | 67% | 0.665 | S | S | * | * | cis | -151.2 | 135.3 | -4.9 | -123.1 | -20.2 | 0 | 0 | 0 | 107.2 | ||||
| 1153 | V | 25.2 | Very low | 27 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 63% | 0.63 | 67% | 0.666 | S | S | * | * | 85.7 | 131.4 | 110.2 | 143.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1154 | K | 25.8 | Very low | 27.1 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | cis | -173.9 | 168.9 | -15.6 | -140.9 | 179.6 | -133.7 | 131.8 | 0 | 110.4 | ||||
| 1155 | S | 28.4 | Very low | 27.4 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | trans | 68 | 147.5 | 148 | -67.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1156 | T | 26.9 | Very low | 27.4 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | cis | -154.3 | 129.7 | -16.4 | 13.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1157 | K | 27.8 | Very low | 27.1 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | 78.6 | 140.2 | 66.1 | -165.7 | -160.2 | 175.5 | -154.7 | 0 | 113 | |||||
| 1158 | E | 26.7 | Very low | 27.1 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | trans | 95.1 | 142.2 | 172 | -53.9 | -169.7 | -179.1 | 0 | 0 | 115.6 | ||||
| 1159 | K | 34.9 | Very low | 27.2 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | cis | -121.4 | 128.2 | -3.4 | -95 | 107.4 | 175.9 | 146.6 | 0 | 109.2 | ||||
| 1160 | L | 26.7 | Very low | 27.5 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | 66.3 | 111.9 | 87.9 | -65.5 | 171.5 | 0 | 0 | 0 | 116.2 | |||||
| 1161 | N | 26.7 | Very low | 27.5 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | 65 | 153.9 | 124.8 | -63.6 | -3.5 | 0 | 0 | 0 | 119.8 | |||||
| 1162 | L | 27.6 | Very low | 28 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | cis | -155.8 | -176 | 14 | -132 | 159.9 | 0 | 0 | 0 | 109.9 | ||||
| 1163 | L | 31.2 | Very low | 28.5 | Very low | 144 Ų | 144 | 132 Ų | 132 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | 64.8 | 108.8 | 179.7 | -54 | 169 | 0 | 0 | 0 | 115.3 | V1165 | L1163-V1165 HydrophobicContact CD2-CG2 4.13Š| ||
| 1164 | K | 26.1 | Very low | 29.5 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | cis | 56.6 | 86 | -4 | -160.5 | 173.6 | -175.2 | 174.5 | 0 | 118 | ||||
| 1165 | V | 29.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 121 Ų | 121 | 78% | 0.782 | 67% | 0.672 | S | S | * | * | trans | -124.5 | 131.3 | 145.7 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | L1163 | L1163-V1165 HydrophobicContact CD2-CG2 4.13Š| ||
| 1166 | S | 25 | Very low | 32.6 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | trans | -12.7 | 131.2 | 180 | -74.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1167 | L | 26.2 | Very low | 34.4 | Very low | 150 Ų | 150 | 117 Ų | 117 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | cis | 56 | 94.6 | 34.1 | -161.5 | 76.5 | 0 | 0 | 0 | 114.4 | ||||
| 1168 | A | 25.7 | Very low | 36.4 | Very low | 89 Ų | 89 | 110.8 Ų | 110.8 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | trans | -113.1 | 155.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1169 | P | 27.3 | Very low | 38.8 | Very low | 108 Ų | 108 | 105 Ų | 105 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | trans | -106.8 | -157.4 | -154.3 | 47 | -38.8 | 0 | 0 | 0 | 112 | ||||
| 1170 | P | 30.6 | Very low | 41 | Very low | 110 Ų | 110 | 98.8 Ų | 98.8 | 71% | 0.714 | 56% | 0.564 | S | S | * | * | -122.7 | 69.7 | -118 | 31.5 | -7.2 | 0 | 0 | 0 | 113.2 | |||||
| 1171 | D | 28.8 | Very low | 43.5 | Very low | 155 Ų | 155 | 96.3 Ų | 96.3 | 83% | 0.829 | 56% | 0.557 | S | S | * | * | trans | -103.5 | -6.8 | -179.1 | -70 | -55.6 | 0 | 0 | 0 | 114.6 | L1173 | D1171-L1173 PolarHBondContact O-N 2.77Š| ||
| 1172 | D | 36.2 | Very low | 45.9 | Very low | 99 Ų | 99 | 89.9 Ų | 89.9 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | trans | -99.7 | 29.9 | -168.6 | -105.7 | -32.6 | 0 | 0 | 0 | 115.9 | R954 G1174 C1175 | R954-D1172 IonicContact CZ-OD1 3.01Å; R954-D1172 IonicContact NH1-OD1 2.65Å; R954-D1172 PolarHBondContact NH1-OD1 3.31Å; R954-D1172 IonicContact NH2-OD1 2.94Å; R954-D1172 PolarHBondContact NH2-OD1 3.36Å; D1172-G1174 PolarHBondContact O-N 2.72Å; D1172-C1175 WeakPolarHBondContact O-CB 3.1Å; D1172-C1175 PolarHBondContact O-N 3.07Å; D1172-C1175 PolarHBondContact OD1-SG 3.4Å; D1172-C1175 VanDerWaalsContact OD1-SG 3.35Å | ||
| 1173 | L | 36.1 | Very low | 48.5 | Very low | 149 Ų | 149 | 83.1 Ų | 83.1 | 78% | 0.78 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.3 | -26.4 | 170.8 | -112.2 | 71.3 | 0 | 0 | 0 | 113 | D1171 C1175 S1177 | D1171-L1173 PolarHBondContact O-N 2.77Å; L1173-C1175 PolarHBondContact O-N 3.21Å; L1173-S1177 PolarHBondContact O-OG 2.93Å; L1173-S1177 VanDerWaalsContact O-OG 3.07Å |
| 1174 | G | 45.5 | Very low | 50.9 | Low | 37 Ų | 37 | 78 Ų | 78 | 38% | 0.381 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.8 | -6.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D1172 S1177 F1178 | D1172-G1174 PolarHBondContact O-N 2.72Å; G1174-S1177 WeakPolarHBondContact CA-OG 3.33Å; G1174-F1178 WeakPolarHBondContact O-CB 3.41Å |
| 1175 | C | 53 | Low | 53.4 | Low | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.034 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -89.7 | -40.4 | 178.8 | -75 | 0 | 0 | 0 | 0 | 113.1 | R954 D1172 L1173 F1178 Y1179 | R954-C1175 PolarHBondContact NH2-SG 2.96Å; D1172-C1175 WeakPolarHBondContact O-CB 3.1Å; D1172-C1175 PolarHBondContact O-N 3.07Å; D1172-C1175 PolarHBondContact OD1-SG 3.4Å; D1172-C1175 VanDerWaalsContact OD1-SG 3.35Å; L1173-C1175 PolarHBondContact O-N 3.21Å; C1175-F1178 PolarHBondContact O-N 3.35Å; C1175-Y1179 PolarHBondContact O-N 2.74Å; C1175-Y1179 VanDerWaalsContact O-N 3.11Å |
| 1176 | L | 66 | Low | 55.8 | Low | 61 Ų | 61 | 64 Ų | 64 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.7 | -41.1 | 177.4 | -176.1 | 59 | 0 | 0 | 0 | 111.7 | Y991 F1178 Y1179 D1180 L1209 | Y991-L1176 HydrophobicContact CD1-CD1 4.16Å; Y991-L1176 HydrophobicContact CD2-CB 3.84Å; Y991-L1176 HydrophobicContact CD2-CD1 4.3Å; Y991-L1176 HydrophobicContact CE1-CD1 3.95Å; Y991-L1176 HydrophobicContact CE2-CB 3.8Å; Y991-L1176 HydrophobicContact CE2-CD1 4.12Å; Y991-L1176 HydrophobicContact CE2-CD2 4.12Å; Y991-L1176 HydrophobicContact CE2-CG 4.23Å; Y991-L1176 HydrophobicContact CG-CD1 4.33Å; L1176-F1178 PolarHBondContact O-N 3.45Å; L1176-Y1179 PolarHBondContact O-N 3.45Å; L1176-D1180 PolarHBondContact O-N 3.08Å; L1176-L1209 HydrophobicContact CD1-CD2 4.08Å |
| 1177 | S | 65.2 | Low | 58.4 | Low | 61 Ų | 61 | 59 Ų | 59 | 43% | 0.427 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.3 | -32.2 | 172.9 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | L1173 G1174 C1181 | L1173-S1177 PolarHBondContact O-OG 2.93Å; L1173-S1177 VanDerWaalsContact O-OG 3.07Å; G1174-S1177 WeakPolarHBondContact CA-OG 3.33Å; S1177-C1181 WeakPolarHBondContact O-CB 3.34Å; S1177-C1181 PolarHBondContact O-N 3.31Å; S1177-C1181 PolarHBondContact O-SG 3.48Å |
| 1178 | F | 68.9 | Low | 60.9 | Low | 41 Ų | 41 | 55.6 Ų | 55.6 | 18% | 0.18 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 173.8 | -165.2 | -87 | 0 | 0 | 0 | 112.6 | Y962 E987 G1174 C1175 L1176 D1180 C1181 L1182 | Y962-F1178 AromaticContact CD1-CE1 3.94Å; Y962-F1178 HydrophobicContact CD1-CE1 3.94Å; Y962-F1178 AromaticContact CD1-CZ 3.91Å; Y962-F1178 HydrophobicContact CD1-CZ 3.91Å; Y962-F1178 AromaticContact CD2-CE1 3.81Å; Y962-F1178 HydrophobicContact CD2-CE1 3.81Å; Y962-F1178 HydrophobicContact CD2-CE2 4.04Å; Y962-F1178 AromaticContact CD2-CZ 3.19Å; Y962-F1178 HydrophobicContact CD2-CZ 3.19Å; Y962-F1178 AromaticContact CE1-CE1 3.59Å; Y962-F1178 HydrophobicContact CE1-CE1 3.59Å; Y962-F1178 AromaticContact CE1-CZ 3.97Å; Y962-F1178 HydrophobicContact CE1-CZ 3.97Å; Y962-F1178 HydrophobicContact CE2-CD1 4.48Å; Y962-F1178 AromaticContact CE2-CE1 3.45Å; Y962-F1178 HydrophobicContact CE2-CE1 3.45Å; Y962-F1178 VanDerWaalsContact CE2-CE1 3.45Å; Y962-F1178 HydrophobicContact CE2-CE2 4.13Å; Y962-F1178 AromaticContact CE2-CZ 3.26Å; Y962-F1178 HydrophobicContact CE2-CZ 3.26Å; Y962-F1178 HydrophobicContact CG-CE1 4.05Å; Y962-F1178 AromaticContact CG-CZ 3.54Å; Y962-F1178 HydrophobicContact CG-CZ 3.54Å; Y962-F1178 AromaticContact CZ-CE1 3.34Å; Y962-F1178 AromaticContact CZ-CZ 3.68Å; E987-F1178 HydrophobicContact CG-CD1 3.99Å; E987-F1178 HydrophobicContact CG-CE1 4.21Å; G1174-F1178 WeakPolarHBondContact O-CB 3.41Å; C1175-F1178 PolarHBondContact O-N 3.35Å; L1176-F1178 PolarHBondContact O-N 3.45Å; F1178-D1180 VanDerWaalsContact C-N 3.3Å; F1178-D1180 PolarHBondContact O-N 3.3Å; F1178-C1181 PolarHBondContact O-N 3.44Å; F1178-L1182 HydrophobicContact CE1-CB 4.22Å; F1178-L1182 HydrophobicContact CE1-CD2 4.4Å; F1178-L1182 VanDerWaalsContact O-CB 3.29Å; F1178-L1182 WeakPolarHBondContact O-CB 3.33Å; F1178-L1182 PolarHBondContact O-N 3.46Å |
| 1179 | Y | 78.5 | Confident | 63.3 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 171.7 | 175.7 | -86.8 | 0 | 0 | 0 | 111.7 | L984 E987 Y988 C1175 L1176 L1182 L1183 P1208 L1209 T1211 | L984-Y1179 HydrophobicContact CD1-CD2 3.8Å; L984-Y1179 HydrophobicContact CD1-CE1 4.44Å; L984-Y1179 HydrophobicContact CD1-CE2 3.36Å; L984-Y1179 HydrophobicContact CD2-CE2 4.42Å; L984-Y1179 HydrophobicContact CG-CD2 4.35Å; L984-Y1179 HydrophobicContact CG-CE2 3.57Å; L984-Y1179 WeakPolarHBondContact O-CE2 3.27Å; E987-Y1179 HydrophobicContact CB-CD2 4.49Å; Y988-Y1179 HydrophobicContact CD2-CE2 4.44Å; Y988-Y1179 HydrophobicContact CG-CE2 4.49Å; C1175-Y1179 PolarHBondContact O-N 2.74Å; C1175-Y1179 VanDerWaalsContact O-N 3.11Å; L1176-Y1179 PolarHBondContact O-N 3.45Å; Y1179-L1182 PolarHBondContact O-N 2.87Å; Y1179-L1183 HydrophobicContact CE1-CD2 3.72Å; Y1179-L1183 VanDerWaalsContact O-CB 3.3Å; Y1179-L1183 WeakPolarHBondContact O-CB 3.33Å; Y1179-L1183 PolarHBondContact O-N 3.21Å; Y1179-P1208 HydrophobicContact CE2-CG 4.01Å; Y1179-P1208 WeakPolarHBondContact OH-CD 3.27Å; Y1179-P1208 WeakPolarHBondContact OH-CG 3.46Å; Y1179-L1209 HydrophobicContact CE1-CB 4.23Å; Y1179-L1209 WeakPolarHBondContact CE1-O 3.4Å; Y1179-L1209 PolarHBondContact OH-N 3.43Å; Y1179-L1209 PolarHBondContact OH-O 3.47Å; Y1179-T1211 HydrophobicContact CD1-CG2 3.7Å; Y1179-T1211 HydrophobicContact CE1-CG2 3.82Å |
| 1180 | D | 79.8 | Confident | 65.6 | Low | 34 Ų | 34 | 49.5 Ų | 49.5 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -50.4 | 178.3 | -157.7 | 4.2 | 0 | 0 | 0 | 111.4 | L1176 F1178 L1182 L1183 I1184 T1211 G1213 | L1176-D1180 PolarHBondContact O-N 3.08Å; F1178-D1180 VanDerWaalsContact C-N 3.3Å; F1178-D1180 PolarHBondContact O-N 3.3Å; D1180-L1182 VanDerWaalsContact C-N 3.28Å; D1180-L1182 PolarHBondContact O-N 3.16Å; D1180-L1183 PolarHBondContact O-N 3.26Å; D1180-L1183 VanDerWaalsContact O-N 3.11Å; D1180-I1184 WeakPolarHBondContact O-CB 3.48Å; D1180-I1184 WeakPolarHBondContact O-CD1 3.34Å; D1180-I1184 WeakPolarHBondContact O-CG1 3.45Å; D1180-I1184 PolarHBondContact O-N 3.45Å; D1180-I1184 WeakPolarHBondContact OD1-CD1 3.3Å; D1180-T1211 HydrophobicContact CB-CG2 3.91Å; D1180-T1211 WeakPolarHBondContact OD1-CB 3.35Å; D1180-T1211 PolarHBondContact OD1-OG1 2.89Å; D1180-G1213 WeakPolarHBondContact OD1-CA 3.47Å; D1180-G1213 PolarHBondContact OD1-N 2.77Å |
| 1181 | C | 79.4 | Confident | 67.5 | Low | 78 Ų | 78 | 45.8 Ų | 45.8 | 53% | 0.527 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57 | -40.4 | 176.1 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | S1177 F1178 A1185 | S1177-C1181 WeakPolarHBondContact O-CB 3.34Å; S1177-C1181 PolarHBondContact O-N 3.31Å; S1177-C1181 PolarHBondContact O-SG 3.48Å; F1178-C1181 PolarHBondContact O-N 3.44Å; C1181-A1185 WeakPolarHBondContact O-CB 3.26Å; C1181-A1185 PolarHBondContact O-N 3.05Å |
| 1182 | L | 77.2 | Confident | 69.3 | Low | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -46.3 | 175.6 | 177.8 | 60 | 0 | 0 | 0 | 111.5 | Y962 I966 L983 L984 E987 F1178 Y1179 D1180 A1185 I1186 | Y962-L1182 HydrophobicContact CD1-CD1 3.94Å; Y962-L1182 HydrophobicContact CD1-CD2 4.44Å; Y962-L1182 HydrophobicContact CE1-CD2 4.22Å; I966-L1182 HydrophobicContact CD1-CD1 3.7Å; I966-L1182 HydrophobicContact CG1-CD1 4.11Å; L983-L1182 HydrophobicContact CD2-CD1 4.12Å; L983-L1182 HydrophobicContact CD2-CD2 4.36Å; L983-L1182 HydrophobicContact CG-CD2 4.11Å; L984-L1182 HydrophobicContact CD1-CD2 4.48Å; E987-L1182 HydrophobicContact CB-CD2 4.5Å; E987-L1182 HydrophobicContact CG-CD2 4.22Å; F1178-L1182 HydrophobicContact CE1-CB 4.22Å; F1178-L1182 HydrophobicContact CE1-CD2 4.4Å; F1178-L1182 VanDerWaalsContact O-CB 3.29Å; F1178-L1182 WeakPolarHBondContact O-CB 3.33Å; F1178-L1182 PolarHBondContact O-N 3.46Å; Y1179-L1182 PolarHBondContact O-N 2.87Å; D1180-L1182 VanDerWaalsContact C-N 3.28Å; D1180-L1182 PolarHBondContact O-N 3.16Å; L1182-A1185 PolarHBondContact O-N 3.35Å; L1182-I1186 HydrophobicContact CD1-CD1 3.75Å; L1182-I1186 HydrophobicContact CD1-CG1 4.35Å; L1182-I1186 HydrophobicContact CG-CD1 3.96Å; L1182-I1186 WeakPolarHBondContact O-CD1 3.42Å; L1182-I1186 WeakPolarHBondContact O-CG1 3.46Å; L1182-I1186 PolarHBondContact O-N 3.38Å; L1182-I1186 VanDerWaalsContact O-N 3.09Å |
| 1183 | L | 82 | Confident | 70.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 179.9 | -175.9 | 48.8 | 0 | 0 | 0 | 111.5 | L984 Y1179 D1180 I1186 L1187 F1203 A1214 | L984-L1183 HydrophobicContact CD1-CB 3.92Å; L984-L1183 HydrophobicContact CD1-CD1 4.17Å; L984-L1183 HydrophobicContact CD1-CG 4.44Å; L984-L1183 HydrophobicContact CD2-CD1 4.04Å; Y1179-L1183 HydrophobicContact CE1-CD2 3.72Å; Y1179-L1183 VanDerWaalsContact O-CB 3.3Å; Y1179-L1183 WeakPolarHBondContact O-CB 3.33Å; Y1179-L1183 PolarHBondContact O-N 3.21Å; D1180-L1183 PolarHBondContact O-N 3.26Å; D1180-L1183 VanDerWaalsContact O-N 3.11Å; L1183-I1186 PolarHBondContact O-N 2.82Å; L1183-L1187 HydrophobicContact CD1-CD1 3.86Å; L1183-L1187 HydrophobicContact CD1-CG 4.15Å; L1183-L1187 HydrophobicContact CG-CD1 3.97Å; L1183-L1187 WeakPolarHBondContact O-CB 3.25Å; L1183-L1187 VanDerWaalsContact O-CG 3.24Å; L1183-L1187 WeakPolarHBondContact O-CG 3.47Å; L1183-L1187 PolarHBondContact O-N 3.42Å; L1183-F1203 HydrophobicContact CD1-CD1 3.87Å; L1183-F1203 HydrophobicContact CD1-CE1 3.54Å; L1183-A1214 HydrophobicContact CD2-CB 3.6Å; L1183-A1214 HydrophobicContact CG-CB 3.79Å |
| 1184 | I | 81.9 | Confident | 71.5 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -51.2 | 173.9 | -64.1 | 161.4 | 0 | 0 | 0 | 110.6 | D1180 I1186 L1187 Q1188 | D1180-I1184 WeakPolarHBondContact O-CB 3.48Å; D1180-I1184 WeakPolarHBondContact O-CD1 3.34Å; D1180-I1184 WeakPolarHBondContact O-CG1 3.45Å; D1180-I1184 PolarHBondContact O-N 3.45Å; D1180-I1184 WeakPolarHBondContact OD1-CD1 3.3Å; I1184-I1186 VanDerWaalsContact C-N 3.29Å; I1184-I1186 PolarHBondContact O-N 2.99Å; I1184-L1187 PolarHBondContact O-N 3.36Å; I1184-Q1188 VanDerWaalsContact CG2-CD 3.5Å; I1184-Q1188 HydrophobicContact CG2-CG 4.14Å; I1184-Q1188 WeakPolarHBondContact O-CB 3.39Å; I1184-Q1188 WeakPolarHBondContact O-CG 3.39Å; I1184-Q1188 PolarHBondContact O-N 3.36Å |
| 1185 | A | 78.9 | Confident | 72.1 | Confident | 21 Ų | 21 | 44.7 Ų | 44.7 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I966 C1181 L1182 K1189 | I966-A1185 HydrophobicContact CD1-CB 4.23Å; C1181-A1185 WeakPolarHBondContact O-CB 3.26Å; C1181-A1185 PolarHBondContact O-N 3.05Å; L1182-A1185 PolarHBondContact O-N 3.35Å; A1185-K1189 WeakPolarHBondContact O-CB 3.37Å; A1185-K1189 WeakPolarHBondContact O-CG 3.44Å; A1185-K1189 PolarHBondContact O-N 3.24Å |
| 1186 | I | 78.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.1 | -49 | 173.2 | -65.9 | 163.1 | 0 | 0 | 0 | 110.2 | I966 L980 L1182 L1183 I1184 Q1188 K1189 L1190 F1203 | I966-I1186 HydrophobicContact CD1-CG1 4.36Å; I966-I1186 HydrophobicContact CG1-CG1 4.08Å; I966-I1186 HydrophobicContact CG2-CG1 4.09Å; L980-I1186 HydrophobicContact CB-CD1 4.35Å; L980-I1186 HydrophobicContact CD1-CG2 4.19Å; L980-I1186 HydrophobicContact CD2-CD1 3.78Å; L980-I1186 HydrophobicContact CD2-CG1 4.06Å; L980-I1186 HydrophobicContact CG-CD1 4.47Å; L1182-I1186 HydrophobicContact CD1-CD1 3.75Å; L1182-I1186 HydrophobicContact CD1-CG1 4.35Å; L1182-I1186 HydrophobicContact CG-CD1 3.96Å; L1182-I1186 WeakPolarHBondContact O-CD1 3.42Å; L1182-I1186 WeakPolarHBondContact O-CG1 3.46Å; L1182-I1186 PolarHBondContact O-N 3.38Å; L1182-I1186 VanDerWaalsContact O-N 3.09Å; L1183-I1186 PolarHBondContact O-N 2.82Å; I1184-I1186 VanDerWaalsContact C-N 3.29Å; I1184-I1186 PolarHBondContact O-N 2.99Å; I1186-Q1188 PolarHBondContact O-N 3.32Å; I1186-K1189 PolarHBondContact O-N 3.38Å; I1186-L1190 HydrophobicContact CG2-CD1 3.7Å; I1186-L1190 HydrophobicContact CG2-CG 4.22Å; I1186-L1190 WeakPolarHBondContact O-CB 3.35Å; I1186-L1190 VanDerWaalsContact O-CG 3.26Å; I1186-L1190 WeakPolarHBondContact O-CG 3.09Å; I1186-L1190 PolarHBondContact O-N 3.45Å; I1186-F1203 HydrophobicContact CB-CE1 3.92Å; I1186-F1203 HydrophobicContact CB-CZ 4.37Å; I1186-F1203 HydrophobicContact CD1-CE1 3.91Å; I1186-F1203 HydrophobicContact CD1-CZ 3.62Å; I1186-F1203 HydrophobicContact CG2-CD1 3.85Å; I1186-F1203 HydrophobicContact CG2-CE1 3.45Å; I1186-F1203 VanDerWaalsContact CG2-CE1 3.45Å; I1186-F1203 HydrophobicContact CG2-CE2 4.47Å; I1186-F1203 HydrophobicContact CG2-CZ 3.82Å |
| 1187 | L | 80.6 | Confident | 73.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | -179.7 | -68.9 | 168.9 | 0 | 0 | 0 | 112.4 | L1183 I1184 K1189 L1190 S1191 F1200 F1203 L1204 A1214 E1217 | L1183-L1187 HydrophobicContact CD1-CD1 3.86Å; L1183-L1187 HydrophobicContact CD1-CG 4.15Å; L1183-L1187 HydrophobicContact CG-CD1 3.97Å; L1183-L1187 WeakPolarHBondContact O-CB 3.25Å; L1183-L1187 VanDerWaalsContact O-CG 3.24Å; L1183-L1187 WeakPolarHBondContact O-CG 3.47Å; L1183-L1187 PolarHBondContact O-N 3.42Å; I1184-L1187 PolarHBondContact O-N 3.36Å; L1187-K1189 VanDerWaalsContact C-N 3.34Å; L1187-K1189 PolarHBondContact O-N 2.92Å; L1187-L1190 PolarHBondContact O-N 3.48Å; L1187-S1191 PolarHBondContact O-N 2.69Å; L1187-F1200 HydrophobicContact CB-CE2 4.05Å; L1187-F1200 HydrophobicContact CD2-CD2 3.77Å; L1187-F1200 HydrophobicContact CD2-CE2 3.64Å; L1187-F1200 HydrophobicContact CD2-CZ 4.32Å; L1187-F1200 HydrophobicContact CG-CE2 4.42Å; L1187-F1203 HydrophobicContact CD2-CD1 4.31Å; L1187-L1204 HydrophobicContact CD1-CD2 3.86Å; L1187-L1204 HydrophobicContact CD2-CD1 4.33Å; L1187-L1204 HydrophobicContact CD2-CD2 3.72Å; L1187-L1204 HydrophobicContact CD2-CG 3.8Å; L1187-L1204 HydrophobicContact CG-CD2 4.47Å; L1187-A1214 HydrophobicContact CD1-CB 3.77Å; L1187-E1217 HydrophobicContact CB-CB 4.33Å; L1187-E1217 HydrophobicContact CB-CG 3.99Å |
| 1188 | Q | 79.8 | Confident | 73.5 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 175.9 | -76.7 | 175.9 | -4.6 | 0 | 0 | 113.1 | I1184 I1186 L1190 S1191 E1217 | I1184-Q1188 VanDerWaalsContact CG2-CD 3.5Å; I1184-Q1188 HydrophobicContact CG2-CG 4.14Å; I1184-Q1188 WeakPolarHBondContact O-CB 3.39Å; I1184-Q1188 WeakPolarHBondContact O-CG 3.39Å; I1184-Q1188 PolarHBondContact O-N 3.36Å; I1186-Q1188 PolarHBondContact O-N 3.32Å; Q1188-L1190 VanDerWaalsContact C-N 3.34Å; Q1188-S1191 PolarHBondContact O-OG 2.95Å; Q1188-S1191 VanDerWaalsContact O-OG 3.05Å; Q1188-E1217 HydrophobicContact CG-CG 3.81Å; Q1188-E1217 VanDerWaalsContact CG-OE2 3.25Å; Q1188-E1217 WeakPolarHBondContact CG-OE2 3.46Å; Q1188-E1217 PolarHBondContact NE2-OE2 2.85Å |
| 1189 | K | 75.3 | Confident | 73.9 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -80.4 | -14.9 | 174.5 | -71.8 | 170.4 | -178.4 | -83.5 | 0 | 112.7 | I966 D967 I970 A1185 I1186 L1187 R1196 | I966-K1189 HydrophobicContact CG2-CD 3.6Å; D967-K1189 IonicContact OD1-NZ 3.71Å; D967-K1189 PolarHBondContact OD1-NZ 2.9Å; D967-K1189 IonicContact OD2-NZ 2.83Å; D967-K1189 PolarHBondContact OD2-NZ 3.49Å; I970-K1189 HydrophobicContact CD1-CB 3.34Å; I970-K1189 HydrophobicContact CD1-CD 4.12Å; I970-K1189 HydrophobicContact CD1-CG 4.38Å; I970-K1189 HydrophobicContact CG2-CB 4.48Å; A1185-K1189 WeakPolarHBondContact O-CB 3.37Å; A1185-K1189 WeakPolarHBondContact O-CG 3.44Å; A1185-K1189 PolarHBondContact O-N 3.24Å; I1186-K1189 PolarHBondContact O-N 3.38Å; L1187-K1189 VanDerWaalsContact C-N 3.34Å; L1187-K1189 PolarHBondContact O-N 2.92Å; K1189-R1196 PolarHBondContact O-NH1 3.3Å |
| 1190 | L | 74.8 | Confident | 74 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -90.2 | -17.4 | 175.2 | -73.9 | 178 | 0 | 0 | 0 | 114.4 | I970 L973 I1186 L1187 Q1188 N1192 R1196 F1200 F1203 | I970-L1190 HydrophobicContact CD1-CG 4.43Å; L973-L1190 HydrophobicContact CD2-CD2 3.44Å; L973-L1190 VanDerWaalsContact CD2-CD2 3.44Å; I1186-L1190 HydrophobicContact CG2-CD1 3.7Å; I1186-L1190 HydrophobicContact CG2-CG 4.22Å; I1186-L1190 WeakPolarHBondContact O-CB 3.35Å; I1186-L1190 VanDerWaalsContact O-CG 3.26Å; I1186-L1190 WeakPolarHBondContact O-CG 3.09Å; I1186-L1190 PolarHBondContact O-N 3.45Å; L1187-L1190 PolarHBondContact O-N 3.48Å; Q1188-L1190 VanDerWaalsContact C-N 3.34Å; L1190-N1192 PolarHBondContact O-N 3.03Å; L1190-R1196 HydrophobicContact CD2-CB 4.42Å; L1190-R1196 WeakPolarHBondContact O-CB 3.26Å; L1190-F1200 HydrophobicContact CB-CB 4.29Å; L1190-F1200 HydrophobicContact CB-CD2 3.92Å; L1190-F1203 HydrophobicContact CD1-CB 4.42Å |
| 1191 | S | 70.6 | Confident | 74 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | trans | -69.9 | 3.5 | -172 | 63.4 | 0 | 0 | 0 | 0 | 116.9 | L1187 Q1188 Q1227 | L1187-S1191 PolarHBondContact O-N 2.69Å; Q1188-S1191 PolarHBondContact O-OG 2.95Å; Q1188-S1191 VanDerWaalsContact O-OG 3.05Å; S1191-Q1227 PolarHBondContact O-NE2 2.91Å | ||
| 1192 | N | 67 | Low | 73.9 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 40% | 0.401 | 25% | 0.252 | S | S | . | . | trans | -82.7 | 136.3 | -178.5 | -73.5 | -109 | 0 | 0 | 0 | 111.4 | L1190 D1194 R1196 | L1190-N1192 PolarHBondContact O-N 3.03Å; N1192-D1194 PolarHBondContact O-N 3.12Å; N1192-R1196 PolarHBondContact ND2-NH1 2.77Å | ||
| 1193 | P | 58 | Low | 74 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -34.1 | -154.5 | 24.4 | -34.8 | 0 | 0 | 0 | 116.8 | L1195 Q1197 | P1193-L1195 PolarHBondContact O-N 2.77Å; P1193-Q1197 VanDerWaalsContact O-CG 3.23Å; P1193-Q1197 WeakPolarHBondContact O-CG 3.17Å; P1193-Q1197 PolarHBondContact O-NE2 2.95Å |
| 1194 | D | 60.9 | Low | 73.9 | Confident | 135 Ų | 135 | 50.5 Ų | 50.5 | 72% | 0.722 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -27.3 | -153.8 | -46.2 | -69.8 | 0 | 0 | 0 | 116.1 | N1192 | N1192-D1194 PolarHBondContact O-N 3.12Š|
| 1195 | L | 58.3 | Low | 73.8 | Confident | 152 Ų | 152 | 49 Ų | 49 | 80% | 0.796 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -143.8 | -9 | -174.1 | -74.9 | 174.3 | 0 | 0 | 0 | 114.9 | P1193 | P1193-L1195 PolarHBondContact O-N 2.77Š|
| 1196 | R | 67.2 | Low | 73.6 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 29% | 0.287 | 24% | 0.24 | S | C | . | . | trans | -96.5 | -14.5 | -168.7 | -57 | 179.4 | -151.5 | 172.1 | 14.2 | 113.7 | L973 K1189 L1190 N1192 H1198 Y1199 F1200 | L973-R1196 HydrophobicContact CD1-CG 4.26Å; L973-R1196 HydrophobicContact CD2-CG 4.33Å; K1189-R1196 PolarHBondContact O-NH1 3.3Å; L1190-R1196 HydrophobicContact CD2-CB 4.42Å; L1190-R1196 WeakPolarHBondContact O-CB 3.26Å; N1192-R1196 PolarHBondContact ND2-NH1 2.77Å; R1196-H1198 PolarHBondContact O-N 2.94Å; R1196-Y1199 WeakPolarHBondContact O-CA 3.38Å; R1196-Y1199 WeakPolarHBondContact O-CB 3.34Å; R1196-Y1199 PolarHBondContact O-N 2.91Å; R1196-F1200 PolarHBondContact O-N 3.37Å | ||
| 1197 | Q | 71.8 | Confident | 73.4 | Confident | 61 Ų | 61 | 49 Ų | 49 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -48.5 | -53.5 | -174.7 | -54.3 | -166.7 | 14 | 0 | 0 | 113.2 | P1193 Y1199 F1200 S1201 Y1230 | P1193-Q1197 VanDerWaalsContact O-CG 3.23Å; P1193-Q1197 WeakPolarHBondContact O-CG 3.17Å; P1193-Q1197 PolarHBondContact O-NE2 2.95Å; Q1197-Y1199 VanDerWaalsContact C-N 3.28Å; Q1197-Y1199 PolarHBondContact O-N 3.16Å; Q1197-F1200 WeakPolarHBondContact O-CB 3.41Å; Q1197-F1200 PolarHBondContact O-N 3.26Å; Q1197-F1200 VanDerWaalsContact O-N 3.11Å; Q1197-S1201 PolarHBondContact O-N 3Å; Q1197-Y1230 HydrophobicContact CB-CD1 3.92Å; Q1197-Y1230 HydrophobicContact CB-CE1 3.55Å; Q1197-Y1230 WeakPolarHBondContact O-CE1 3.21Å; Q1197-Y1230 PolarHBondContact O-OH 3.18Å |
| 1198 | H | 74.5 | Confident | 73 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.5 | -38.9 | 177.5 | 172.3 | -98.5 | 0 | 0 | 0 | 113.1 | R1196 R1202 Y1230 | R1196-H1198 PolarHBondContact O-N 2.94Å; H1198-R1202 WeakPolarHBondContact O-CB 3.37Å; H1198-R1202 PolarHBondContact O-N 3.16Å; H1198-Y1230 WeakPolarHBondContact CA-OH 3.17Å |
| 1199 | Y | 76.1 | Confident | 72.7 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.9 | -35.5 | 177.9 | -65.8 | -84.5 | 0 | 0 | 0 | 112.3 | L973 R974 F977 R1196 Q1197 R1202 F1203 | L973-Y1199 HydrophobicContact CB-CD2 4.38Å; L973-Y1199 HydrophobicContact CB-CE1 4.38Å; L973-Y1199 HydrophobicContact CB-CE2 4.17Å; L973-Y1199 HydrophobicContact CD2-CD1 4.36Å; L973-Y1199 HydrophobicContact CD2-CD2 3.74Å; L973-Y1199 HydrophobicContact CD2-CE2 4.35Å; L973-Y1199 HydrophobicContact CD2-CG 3.73Å; R974-Y1199 WeakPolarHBondContact CA-OH 3.43Å; F977-Y1199 HydrophobicContact CB-CD1 3.91Å; F977-Y1199 HydrophobicContact CB-CE1 4.13Å; F977-Y1199 AromaticContact CD2-CD1 3.75Å; F977-Y1199 HydrophobicContact CD2-CD1 3.75Å; F977-Y1199 AromaticContact CG-CD1 3.96Å; F977-Y1199 HydrophobicContact CG-CD1 3.96Å; F977-Y1199 HydrophobicContact CG-CE1 4.47Å; R1196-Y1199 WeakPolarHBondContact O-CA 3.38Å; R1196-Y1199 WeakPolarHBondContact O-CB 3.34Å; R1196-Y1199 PolarHBondContact O-N 2.91Å; Q1197-Y1199 VanDerWaalsContact C-N 3.28Å; Q1197-Y1199 PolarHBondContact O-N 3.16Å; Y1199-R1202 PolarHBondContact O-N 2.71Å; Y1199-F1203 VanDerWaalsContact O-CB 3.3Å; Y1199-F1203 WeakPolarHBondContact O-CB 3.48Å; Y1199-F1203 PolarHBondContact O-N 2.85Å |
| 1200 | F | 82.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -52 | 174.3 | -177.5 | -93.2 | 0 | 0 | 0 | 111.2 | L1187 L1190 R1196 Q1197 R1202 F1203 L1204 L1218 Y1221 I1234 | L1187-F1200 HydrophobicContact CB-CE2 4.05Å; L1187-F1200 HydrophobicContact CD2-CD2 3.77Å; L1187-F1200 HydrophobicContact CD2-CE2 3.64Å; L1187-F1200 HydrophobicContact CD2-CZ 4.32Å; L1187-F1200 HydrophobicContact CG-CE2 4.42Å; L1190-F1200 HydrophobicContact CB-CB 4.29Å; L1190-F1200 HydrophobicContact CB-CD2 3.92Å; R1196-F1200 PolarHBondContact O-N 3.37Å; Q1197-F1200 WeakPolarHBondContact O-CB 3.41Å; Q1197-F1200 PolarHBondContact O-N 3.26Å; Q1197-F1200 VanDerWaalsContact O-N 3.11Å; F1200-R1202 PolarHBondContact O-N 2.98Å; F1200-F1203 PolarHBondContact O-N 3.36Å; F1200-L1204 HydrophobicContact CD1-CD1 3.85Å; F1200-L1204 HydrophobicContact CE1-CD1 3.49Å; F1200-L1204 VanDerWaalsContact CE1-CD1 3.49Å; F1200-L1204 HydrophobicContact CZ-CD1 3.92Å; F1200-L1204 WeakPolarHBondContact O-CG 3.47Å; F1200-L1204 PolarHBondContact O-N 3.25Å; F1200-L1204 VanDerWaalsContact O-N 3.12Å; F1200-L1218 HydrophobicContact CE1-CD1 4.04Å; F1200-L1218 HydrophobicContact CZ-CD1 4.46Å; F1200-Y1221 HydrophobicContact CD1-CD2 4.26Å; F1200-Y1221 HydrophobicContact CD1-CE2 4.24Å; F1200-Y1221 HydrophobicContact CD1-CG 4.45Å; F1200-Y1221 AromaticContact CE1-CD1 3.97Å; F1200-Y1221 HydrophobicContact CE1-CD1 3.97Å; F1200-Y1221 AromaticContact CE1-CD2 3.79Å; F1200-Y1221 HydrophobicContact CE1-CD2 3.79Å; F1200-Y1221 HydrophobicContact CE1-CE1 4.38Å; F1200-Y1221 HydrophobicContact CE1-CE2 4.21Å; F1200-Y1221 AromaticContact CE1-CG 3.67Å; F1200-Y1221 HydrophobicContact CE1-CG 3.67Å; F1200-Y1221 HydrophobicContact CE2-CD2 4.16Å; F1200-Y1221 AromaticContact CZ-CD2 3.74Å; F1200-Y1221 HydrophobicContact CZ-CD2 3.74Å; F1200-Y1221 HydrophobicContact CZ-CE2 4.48Å; F1200-Y1221 AromaticContact CZ-CG 3.77Å; F1200-Y1221 HydrophobicContact CZ-CG 3.77Å; F1200-I1234 HydrophobicContact CD1-CD1 3.75Å; F1200-I1234 HydrophobicContact CE1-CD1 4.08Å |
| 1201 | S | 78.1 | Confident | 73 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.2 | -51.9 | 173.1 | 177 | 0 | 0 | 0 | 0 | 111.7 | Q1197 F1203 L1204 I1205 Y1230 | Q1197-S1201 PolarHBondContact O-N 3Å; S1201-F1203 VanDerWaalsContact C-N 3.34Å; S1201-F1203 PolarHBondContact O-N 3.1Å; S1201-L1204 PolarHBondContact O-N 3.45Å; S1201-I1205 WeakPolarHBondContact O-CG1 3.25Å; S1201-I1205 PolarHBondContact O-N 2.81Å; S1201-I1205 VanDerWaalsContact O-N 3.07Å; S1201-Y1230 VanDerWaalsContact CB-OH 3.23Å; S1201-Y1230 WeakPolarHBondContact CB-OH 3.43Å |
| 1202 | R | 77.2 | Confident | 73.4 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 33% | 0.328 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.2 | -37.1 | -177.8 | -165.8 | -176.5 | 168.4 | 177.8 | -7.6 | 112.8 | F977 H1198 Y1199 F1200 I1205 E1206 | F977-R1202 HydrophobicContact CE1-CG 4.18Å; F977-R1202 HydrophobicContact CE2-CB 4.06Å; F977-R1202 HydrophobicContact CE2-CG 4.15Å; F977-R1202 HydrophobicContact CZ-CB 3.99Å; F977-R1202 HydrophobicContact CZ-CG 3.57Å; H1198-R1202 WeakPolarHBondContact O-CB 3.37Å; H1198-R1202 PolarHBondContact O-N 3.16Å; Y1199-R1202 PolarHBondContact O-N 2.71Å; F1200-R1202 PolarHBondContact O-N 2.98Å; R1202-I1205 PolarHBondContact O-N 2.84Å; R1202-E1206 HydrophobicContact CG-CG 4.41Å; R1202-E1206 IonicContact CZ-OE1 3.02Å; R1202-E1206 VanDerWaalsContact CZ-OE1 3.25Å; R1202-E1206 IonicContact NE-OE1 3.9Å; R1202-E1206 PolarHBondContact NE-OE1 3.28Å; R1202-E1206 IonicContact NH2-OE1 2.69Å; R1202-E1206 PolarHBondContact NH2-OE1 2.92Å; R1202-E1206 WeakPolarHBondContact O-CB 3.48Å; R1202-E1206 WeakPolarHBondContact O-CG 3.49Å; R1202-E1206 PolarHBondContact O-N 3.41Å |
| 1203 | F | 79.8 | Confident | 74 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.6 | -156.4 | -117.5 | 0 | 0 | 0 | 111.3 | F977 L980 L984 L1183 I1186 L1187 L1190 Y1199 F1200 S1201 I1205 E1206 A1207 | F977-F1203 HydrophobicContact CD2-CD2 4.25Å; F977-F1203 HydrophobicContact CE2-CB 3.89Å; F977-F1203 AromaticContact CE2-CD2 3.75Å; F977-F1203 HydrophobicContact CE2-CD2 3.75Å; F977-F1203 HydrophobicContact CE2-CG 4.33Å; F977-F1203 HydrophobicContact CZ-CD2 4.28Å; L980-F1203 HydrophobicContact CB-CE2 3.93Å; L980-F1203 HydrophobicContact CB-CZ 4.26Å; L984-F1203 HydrophobicContact CB-CZ 4.05Å; L984-F1203 HydrophobicContact CD2-CE1 3.82Å; L984-F1203 HydrophobicContact CD2-CE2 4.24Å; L984-F1203 HydrophobicContact CD2-CZ 3.62Å; L984-F1203 HydrophobicContact CG-CZ 4.28Å; L1183-F1203 HydrophobicContact CD1-CD1 3.87Å; L1183-F1203 HydrophobicContact CD1-CE1 3.54Å; I1186-F1203 HydrophobicContact CB-CE1 3.92Å; I1186-F1203 HydrophobicContact CB-CZ 4.37Å; I1186-F1203 HydrophobicContact CD1-CE1 3.91Å; I1186-F1203 HydrophobicContact CD1-CZ 3.62Å; I1186-F1203 HydrophobicContact CG2-CD1 3.85Å; I1186-F1203 HydrophobicContact CG2-CE1 3.45Å; I1186-F1203 VanDerWaalsContact CG2-CE1 3.45Å; I1186-F1203 HydrophobicContact CG2-CE2 4.47Å; I1186-F1203 HydrophobicContact CG2-CZ 3.82Å; L1187-F1203 HydrophobicContact CD2-CD1 4.31Å; L1190-F1203 HydrophobicContact CD1-CB 4.42Å; Y1199-F1203 VanDerWaalsContact O-CB 3.3Å; Y1199-F1203 WeakPolarHBondContact O-CB 3.48Å; Y1199-F1203 PolarHBondContact O-N 2.85Å; F1200-F1203 PolarHBondContact O-N 3.36Å; S1201-F1203 VanDerWaalsContact C-N 3.34Å; S1201-F1203 PolarHBondContact O-N 3.1Å; F1203-I1205 VanDerWaalsContact C-N 3.28Å; F1203-I1205 PolarHBondContact O-N 2.85Å; F1203-E1206 PolarHBondContact O-N 2.75Å; F1203-A1207 WeakPolarHBondContact O-CB 3.43Å; F1203-A1207 PolarHBondContact O-N 3.41Å |
| 1204 | L | 81 | Confident | 75.1 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -29.6 | 176.5 | -71.9 | 170.9 | 0 | 0 | 0 | 113 | L1187 F1200 S1201 L1210 L1218 I1234 L1238 R1242 | L1187-L1204 HydrophobicContact CD1-CD2 3.86Å; L1187-L1204 HydrophobicContact CD2-CD1 4.33Å; L1187-L1204 HydrophobicContact CD2-CD2 3.72Å; L1187-L1204 HydrophobicContact CD2-CG 3.8Å; L1187-L1204 HydrophobicContact CG-CD2 4.47Å; F1200-L1204 HydrophobicContact CD1-CD1 3.85Å; F1200-L1204 HydrophobicContact CE1-CD1 3.49Å; F1200-L1204 VanDerWaalsContact CE1-CD1 3.49Å; F1200-L1204 HydrophobicContact CZ-CD1 3.92Å; F1200-L1204 WeakPolarHBondContact O-CG 3.47Å; F1200-L1204 PolarHBondContact O-N 3.25Å; F1200-L1204 VanDerWaalsContact O-N 3.12Å; S1201-L1204 PolarHBondContact O-N 3.45Å; L1204-L1210 HydrophobicContact CD2-CD2 3.75Å; L1204-L1218 HydrophobicContact CD1-CD1 4.03Å; L1204-I1234 HydrophobicContact CD1-CG2 3.96Å; L1204-L1238 HydrophobicContact CB-CD1 4.18Å; L1204-L1238 HydrophobicContact CB-CD2 4.13Å; L1204-L1238 VanDerWaalsContact O-CD2 3.29Å; L1204-L1238 WeakPolarHBondContact O-CD2 3.45Å; L1204-R1242 PolarHBondContact O-NH2 3.23Å |
| 1205 | I | 78.3 | Confident | 76.1 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -82.2 | -41.8 | 176.2 | -63.9 | 163.9 | 0 | 0 | 0 | 111.8 | R1006 L1010 S1201 R1202 F1203 T1237 L1238 R1242 | R1006-I1205 PolarHBondContact NH2-O 3.45Å; L1010-I1205 HydrophobicContact CD1-CG2 3.78Å; L1010-I1205 HydrophobicContact CD2-CG2 4.04Å; S1201-I1205 WeakPolarHBondContact O-CG1 3.25Å; S1201-I1205 PolarHBondContact O-N 2.81Å; S1201-I1205 VanDerWaalsContact O-N 3.07Å; R1202-I1205 PolarHBondContact O-N 2.84Å; F1203-I1205 VanDerWaalsContact C-N 3.28Å; F1203-I1205 PolarHBondContact O-N 2.85Å; I1205-T1237 HydrophobicContact CD1-CG2 3.63Å; I1205-T1237 HydrophobicContact CG1-CG2 4.34Å; I1205-L1238 HydrophobicContact CG1-CD2 3.84Å; I1205-R1242 PolarHBondContact O-NH2 3.19Å |
| 1206 | E | 74.4 | Confident | 77.2 | Confident | 19 Ų | 19 | 34.4 Ų | 34.4 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.8 | -26.1 | -178.3 | -73.1 | -171 | -164.3 | 0 | 0 | 114 | F977 R1202 F1203 | F977-E1206 WeakPolarHBondContact CE1-OE2 3.37Å; R1202-E1206 HydrophobicContact CG-CG 4.41Å; R1202-E1206 IonicContact CZ-OE1 3.02Å; R1202-E1206 VanDerWaalsContact CZ-OE1 3.25Å; R1202-E1206 IonicContact NE-OE1 3.9Å; R1202-E1206 PolarHBondContact NE-OE1 3.28Å; R1202-E1206 IonicContact NH2-OE1 2.69Å; R1202-E1206 PolarHBondContact NH2-OE1 2.92Å; R1202-E1206 WeakPolarHBondContact O-CB 3.48Å; R1202-E1206 WeakPolarHBondContact O-CG 3.49Å; R1202-E1206 PolarHBondContact O-N 3.41Å; F1203-E1206 PolarHBondContact O-N 2.75Å |
| 1207 | A | 76.2 | Confident | 77.9 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | trans | -55 | 142.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L984 R1006 F1203 R1242 | L984-A1207 HydrophobicContact CD2-CB 3.68Å; R1006-A1207 PolarHBondContact NH2-O 2.95Å; F1203-A1207 WeakPolarHBondContact O-CB 3.43Å; F1203-A1207 PolarHBondContact O-N 3.41Å; A1207-R1242 VanDerWaalsContact O-CZ 3.24Å; A1207-R1242 PolarHBondContact O-NH1 2.77Å; A1207-R1242 PolarHBondContact O-NH2 2.7Å | ||
| 1208 | P | 70.8 | Confident | 78.4 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -65.9 | -43.8 | 179.5 | 21.7 | -29.7 | 0 | 0 | 0 | 113.2 | M985 Y988 Y1179 R1242 | M985-P1208 HydrophobicContact CE-CB 3.77Å; M985-P1208 HydrophobicContact CE-CG 3.98Å; M985-P1208 HydrophobicContact SD-CB 3.84Å; M985-P1208 HydrophobicContact SD-CG 3.8Å; Y988-P1208 VanDerWaalsContact CB-CG 3.48Å; Y988-P1208 HydrophobicContact CD1-CB 3.47Å; Y988-P1208 VanDerWaalsContact CD1-CB 3.47Å; Y988-P1208 HydrophobicContact CD1-CG 3.72Å; Y988-P1208 HydrophobicContact CD2-CB 3.96Å; Y988-P1208 HydrophobicContact CD2-CG 3.89Å; Y988-P1208 HydrophobicContact CE1-CB 3.71Å; Y988-P1208 HydrophobicContact CE1-CG 4.43Å; Y988-P1208 HydrophobicContact CE2-CB 4.2Å; Y988-P1208 HydrophobicContact CG-CB 3.6Å; Y988-P1208 HydrophobicContact CG-CG 3.4Å; Y1179-P1208 HydrophobicContact CE2-CG 4.01Å; Y1179-P1208 WeakPolarHBondContact OH-CD 3.27Å; Y1179-P1208 WeakPolarHBondContact OH-CG 3.46Å; P1208-R1242 PolarHBondContact O-NH1 3.3Å |
| 1209 | L | 74.4 | Confident | 78.9 | Confident | 37 Ų | 37 | 26.4 Ų | 26.4 | 19% | 0.194 | 14% | 0.139 | C | C | . | . | trans | -133.7 | 132.8 | -175.3 | -179.7 | 70.2 | 0 | 0 | 0 | 109.4 | Y988 Y991 L1176 Y1179 | Y988-L1209 HydrophobicContact CD2-CB 4.02Å; Y988-L1209 HydrophobicContact CE2-CB 3.81Å; Y988-L1209 HydrophobicContact CE2-CD2 4.27Å; Y991-L1209 HydrophobicContact CE1-CD2 4.36Å; L1176-L1209 HydrophobicContact CD1-CD2 4.08Å; Y1179-L1209 HydrophobicContact CE1-CB 4.23Å; Y1179-L1209 WeakPolarHBondContact CE1-O 3.4Å; Y1179-L1209 PolarHBondContact OH-N 3.43Å; Y1179-L1209 PolarHBondContact OH-O 3.47Å | ||
| 1210 | L | 77.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -85.5 | 127.9 | 165.3 | -69.3 | 163.3 | 0 | 0 | 0 | 108 | L1204 A1214 T1215 R1242 Q1246 L1250 | L1204-L1210 HydrophobicContact CD2-CD2 3.75Å; L1210-A1214 HydrophobicContact CD2-CB 4.4Å; L1210-T1215 HydrophobicContact CB-CG2 4.37Å; L1210-R1242 HydrophobicContact CD1-CG 4.37Å; L1210-Q1246 PolarHBondContact O-NE2 2.79Å; L1210-L1250 HydrophobicContact CD1-CD1 3.98Å | ||
| 1211 | T | 79.2 | Confident | 79.2 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | trans | -93.3 | 162.1 | 174.3 | 44.8 | 0 | 0 | 0 | 0 | 111.4 | Y1179 D1180 G1213 A1214 T1215 | Y1179-T1211 HydrophobicContact CD1-CG2 3.7Å; Y1179-T1211 HydrophobicContact CE1-CG2 3.82Å; D1180-T1211 HydrophobicContact CB-CG2 3.91Å; D1180-T1211 WeakPolarHBondContact OD1-CB 3.35Å; D1180-T1211 PolarHBondContact OD1-OG1 2.89Å; T1211-G1213 PolarHBondContact O-N 2.86Å; T1211-A1214 WeakPolarHBondContact O-CB 3.25Å; T1211-A1214 PolarHBondContact O-N 3Å; T1211-A1214 WeakPolarHBondContact OG1-CB 3.46Å; T1211-A1214 PolarHBondContact OG1-N 3.45Å; T1211-T1215 PolarHBondContact O-N 2.77Å; T1211-T1215 PolarHBondContact O-OG1 2.72Å | ||
| 1212 | P | 78.1 | Confident | 79.3 | Confident | 92 Ų | 92 | 30.7 Ų | 30.7 | 60% | 0.597 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -56.8 | -31.1 | 170.1 | -25.4 | 35.8 | 0 | 0 | 0 | 113.3 | T1215 N1216 | P1212-T1215 WeakPolarHBondContact CA-OG1 3.4Å; P1212-T1215 PolarHBondContact O-OG1 2.69Å; P1212-N1216 WeakPolarHBondContact O-CB 3.47Å; P1212-N1216 PolarHBondContact O-N 3.07Å; P1212-N1216 PolarHBondContact O-ND2 3.41Å |
| 1213 | G | 79 | Confident | 79.5 | Confident | 13 Ų | 13 | 29 Ų | 29 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1180 T1211 N1216 E1217 | D1180-G1213 WeakPolarHBondContact OD1-CA 3.47Å; D1180-G1213 PolarHBondContact OD1-N 2.77Å; T1211-G1213 PolarHBondContact O-N 2.86Å; G1213-N1216 PolarHBondContact O-N 3.13Å; G1213-E1217 PolarHBondContact O-N 3.19Å |
| 1214 | A | 82.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L1183 L1187 L1210 T1211 E1217 L1218 | L1183-A1214 HydrophobicContact CD2-CB 3.6Å; L1183-A1214 HydrophobicContact CG-CB 3.79Å; L1187-A1214 HydrophobicContact CD1-CB 3.77Å; L1210-A1214 HydrophobicContact CD2-CB 4.4Å; T1211-A1214 WeakPolarHBondContact O-CB 3.25Å; T1211-A1214 PolarHBondContact O-N 3Å; T1211-A1214 WeakPolarHBondContact OG1-CB 3.46Å; T1211-A1214 PolarHBondContact OG1-N 3.45Å; A1214-E1217 PolarHBondContact O-N 3.24Å; A1214-L1218 PolarHBondContact O-N 2.82Å |
| 1215 | T | 81.5 | Confident | 79.3 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 17% | 0.172 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.3 | -33.2 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | L1210 T1211 P1212 L1218 K1219 L1250 M1253 | L1210-T1215 HydrophobicContact CB-CG2 4.37Å; T1211-T1215 PolarHBondContact O-N 2.77Å; T1211-T1215 PolarHBondContact O-OG1 2.72Å; P1212-T1215 WeakPolarHBondContact CA-OG1 3.4Å; P1212-T1215 PolarHBondContact O-OG1 2.69Å; T1215-L1218 PolarHBondContact O-N 2.77Å; T1215-K1219 WeakPolarHBondContact O-CB 3.44Å; T1215-K1219 PolarHBondContact O-N 3.27Å; T1215-L1250 HydrophobicContact CG2-CD2 4.06Å; T1215-M1253 WeakPolarHBondContact O-CE 3.36Å |
| 1216 | N | 82.2 | Confident | 79.2 | Confident | 87 Ų | 87 | 41 Ų | 41 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -34.2 | 170.5 | -81.9 | -53.5 | 0 | 0 | 0 | 113.3 | P1212 G1213 K1219 R1220 | P1212-N1216 WeakPolarHBondContact O-CB 3.47Å; P1212-N1216 PolarHBondContact O-N 3.07Å; P1212-N1216 PolarHBondContact O-ND2 3.41Å; G1213-N1216 PolarHBondContact O-N 3.13Å; N1216-K1219 WeakPolarHBondContact O-CB 3.41Å; N1216-K1219 PolarHBondContact O-N 3.37Å; N1216-R1220 WeakPolarHBondContact O-CG 3.37Å; N1216-R1220 PolarHBondContact O-N 2.86Å |
| 1217 | E | 81.5 | Confident | 79.4 | Confident | 17 Ų | 17 | 41 Ų | 41 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.5 | -31.6 | 174.9 | -155.2 | 61 | -132.7 | 0 | 0 | 112.1 | L1187 Q1188 G1213 A1214 R1220 Y1221 | L1187-E1217 HydrophobicContact CB-CB 4.33Å; L1187-E1217 HydrophobicContact CB-CG 3.99Å; Q1188-E1217 HydrophobicContact CG-CG 3.81Å; Q1188-E1217 VanDerWaalsContact CG-OE2 3.25Å; Q1188-E1217 WeakPolarHBondContact CG-OE2 3.46Å; Q1188-E1217 PolarHBondContact NE2-OE2 2.85Å; G1213-E1217 PolarHBondContact O-N 3.19Å; A1214-E1217 PolarHBondContact O-N 3.24Å; E1217-R1220 WeakPolarHBondContact O-CB 3.26Å; E1217-R1220 PolarHBondContact O-N 3.14Å; E1217-R1220 VanDerWaalsContact OE1-CD 3.25Å; E1217-R1220 WeakPolarHBondContact OE1-CD 3.43Å; E1217-R1220 IonicContact OE1-NH1 3.16Å; E1217-R1220 WeakPolarHBondContact OE2-CD 3.12Å; E1217-R1220 IonicContact OE2-CZ 3.08Å; E1217-R1220 IonicContact OE2-NE 3.56Å; E1217-R1220 IonicContact OE2-NH1 3.28Å; E1217-R1220 PolarHBondContact OE2-NH1 3.04Å; E1217-Y1221 PolarHBondContact O-N 3.03Å |
| 1218 | L | 83.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 165.8 | -177.8 | 59.4 | 0 | 0 | 0 | 111.5 | F1200 L1204 A1214 T1215 R1220 Y1221 C1222 I1234 L1235 L1238 | F1200-L1218 HydrophobicContact CE1-CD1 4.04Å; F1200-L1218 HydrophobicContact CZ-CD1 4.46Å; L1204-L1218 HydrophobicContact CD1-CD1 4.03Å; A1214-L1218 PolarHBondContact O-N 2.82Å; T1215-L1218 PolarHBondContact O-N 2.77Å; L1218-R1220 VanDerWaalsContact C-N 3.27Å; L1218-R1220 PolarHBondContact O-N 3.14Å; L1218-Y1221 PolarHBondContact O-N 3.13Å; L1218-Y1221 VanDerWaalsContact O-N 3.16Å; L1218-C1222 PolarHBondContact O-N 3.01Å; L1218-C1222 PolarHBondContact O-SG 3.11Å; L1218-C1222 VanDerWaalsContact O-SG 3.39Å; L1218-I1234 HydrophobicContact CD1-CG2 4.19Å; L1218-L1235 HydrophobicContact CD2-CD1 3.97Å; L1218-L1238 HydrophobicContact CD2-CD1 3.68Å |
| 1219 | K | 83.8 | Confident | 80.1 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 27% | 0.265 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.7 | -42.2 | 172.3 | -168.5 | -178.6 | 179.4 | -178.2 | 0 | 110.5 | T1215 N1216 S1223 M1253 F1257 P1309 F1310 | T1215-K1219 WeakPolarHBondContact O-CB 3.44Å; T1215-K1219 PolarHBondContact O-N 3.27Å; N1216-K1219 WeakPolarHBondContact O-CB 3.41Å; N1216-K1219 PolarHBondContact O-N 3.37Å; K1219-S1223 WeakPolarHBondContact O-CB 3.17Å; K1219-S1223 PolarHBondContact O-N 3.17Å; K1219-S1223 PolarHBondContact O-OG 2.78Å; K1219-M1253 HydrophobicContact CB-CE 4.12Å; K1219-M1253 HydrophobicContact CB-SD 4.06Å; K1219-F1257 HydrophobicContact CB-CZ 4.46Å; K1219-F1257 HydrophobicContact CG-CE2 4.11Å; K1219-F1257 HydrophobicContact CG-CZ 3.8Å; K1219-F1257 WeakPolarHBondContact O-CZ 3.38Å; K1219-P1309 PolarHBondContact NZ-O 3.48Å; K1219-F1310 HydrophobicContact CD-CE1 4.06Å; K1219-F1310 VanDerWaalsContact CE-CZ 3.47Å; K1219-F1310 HydrophobicContact CG-CE1 3.81Å; K1219-F1310 HydrophobicContact CG-CZ 4.4Å |
| 1220 | R | 82.8 | Confident | 80.5 | Confident | 153 Ų | 153 | 44.6 Ų | 44.6 | 58% | 0.577 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64 | -44.1 | 174.1 | -73.5 | 168 | 169.1 | -174.6 | -6.7 | 113.2 | N1216 E1217 L1218 S1223 | N1216-R1220 WeakPolarHBondContact O-CG 3.37Å; N1216-R1220 PolarHBondContact O-N 2.86Å; E1217-R1220 WeakPolarHBondContact O-CB 3.26Å; E1217-R1220 PolarHBondContact O-N 3.14Å; E1217-R1220 VanDerWaalsContact OE1-CD 3.25Å; E1217-R1220 WeakPolarHBondContact OE1-CD 3.43Å; E1217-R1220 IonicContact OE1-NH1 3.16Å; E1217-R1220 WeakPolarHBondContact OE2-CD 3.12Å; E1217-R1220 IonicContact OE2-CZ 3.08Å; E1217-R1220 IonicContact OE2-NE 3.56Å; E1217-R1220 IonicContact OE2-NH1 3.28Å; E1217-R1220 PolarHBondContact OE2-NH1 3.04Å; L1218-R1220 VanDerWaalsContact C-N 3.27Å; L1218-R1220 PolarHBondContact O-N 3.14Å; R1220-S1223 PolarHBondContact O-N 3.03Å |
| 1221 | Y | 81.9 | Confident | 80.8 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.6 | -166.8 | -87.5 | 0 | 0 | 0 | 111.5 | F1200 E1217 L1218 S1223 S1224 Q1227 Y1230 I1234 | F1200-Y1221 HydrophobicContact CD1-CD2 4.26Å; F1200-Y1221 HydrophobicContact CD1-CE2 4.24Å; F1200-Y1221 HydrophobicContact CD1-CG 4.45Å; F1200-Y1221 AromaticContact CE1-CD1 3.97Å; F1200-Y1221 HydrophobicContact CE1-CD1 3.97Å; F1200-Y1221 AromaticContact CE1-CD2 3.79Å; F1200-Y1221 HydrophobicContact CE1-CD2 3.79Å; F1200-Y1221 HydrophobicContact CE1-CE1 4.38Å; F1200-Y1221 HydrophobicContact CE1-CE2 4.21Å; F1200-Y1221 AromaticContact CE1-CG 3.67Å; F1200-Y1221 HydrophobicContact CE1-CG 3.67Å; F1200-Y1221 HydrophobicContact CE2-CD2 4.16Å; F1200-Y1221 AromaticContact CZ-CD2 3.74Å; F1200-Y1221 HydrophobicContact CZ-CD2 3.74Å; F1200-Y1221 HydrophobicContact CZ-CE2 4.48Å; F1200-Y1221 AromaticContact CZ-CG 3.77Å; F1200-Y1221 HydrophobicContact CZ-CG 3.77Å; E1217-Y1221 PolarHBondContact O-N 3.03Å; L1218-Y1221 PolarHBondContact O-N 3.13Å; L1218-Y1221 VanDerWaalsContact O-N 3.16Å; Y1221-S1223 VanDerWaalsContact C-N 3.27Å; Y1221-S1223 PolarHBondContact O-N 3.11Å; Y1221-S1224 PolarHBondContact O-N 2.81Å; Y1221-Q1227 HydrophobicContact CD1-CB 4.17Å; Y1221-Q1227 HydrophobicContact CE1-CB 3.75Å; Y1221-Q1227 HydrophobicContact CE1-CG 4.42Å; Y1221-Q1227 HydrophobicContact CE2-CB 4.42Å; Y1221-Q1227 HydrophobicContact CE2-CG 4.3Å; Y1221-Y1230 HydrophobicContact CE1-CD1 4.24Å; Y1221-I1234 HydrophobicContact CE1-CD1 4.3Å |
| 1222 | C | 80.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71 | -17.5 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 114 | L1218 S1224 G1231 F1232 F1257 | L1218-C1222 PolarHBondContact O-N 3.01Å; L1218-C1222 PolarHBondContact O-SG 3.11Å; L1218-C1222 VanDerWaalsContact O-SG 3.39Å; C1222-S1224 VanDerWaalsContact C-N 3.29Å; C1222-G1231 PolarHBondContact SG-O 3.09Å; C1222-F1232 HydrophobicContact CB-CD1 4.44Å; C1222-F1232 HydrophobicContact CB-CE1 3.82Å; C1222-F1232 HydrophobicContact CB-CZ 3.85Å; C1222-F1257 HydrophobicContact CB-CE1 3.99Å; C1222-F1257 HydrophobicContact CB-CE2 3.88Å; C1222-F1257 HydrophobicContact CB-CZ 3.55Å |
| 1223 | S | 80.7 | Confident | 81.2 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -4.7 | 171.7 | -68.6 | 0 | 0 | 0 | 0 | 114.1 | K1219 R1220 Y1221 I1265 | K1219-S1223 WeakPolarHBondContact O-CB 3.17Å; K1219-S1223 PolarHBondContact O-N 3.17Å; K1219-S1223 PolarHBondContact O-OG 2.78Å; R1220-S1223 PolarHBondContact O-N 3.03Å; Y1221-S1223 VanDerWaalsContact C-N 3.27Å; Y1221-S1223 PolarHBondContact O-N 3.11Å; S1223-I1265 WeakPolarHBondContact O-CD1 3.32Å |
| 1224 | S | 79.6 | Confident | 81.4 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -94.1 | 125.4 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | Y1221 C1222 D1226 Q1227 A1228 | Y1221-S1224 PolarHBondContact O-N 2.81Å; C1222-S1224 VanDerWaalsContact C-N 3.29Å; S1224-D1226 PolarHBondContact O-N 2.74Å; S1224-Q1227 PolarHBondContact O-N 3.08Å; S1224-Q1227 VanDerWaalsContact O-N 3.16Å; S1224-A1228 PolarHBondContact O-N 2.96Å |
| 1225 | P | 77 | Confident | 81.5 | Confident | 79 Ų | 79 | 44.1 Ų | 44.1 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63.4 | -39.4 | -173 | 25.5 | -34.1 | 0 | 0 | 0 | 112.9 | Q1227 A1228 | P1225-Q1227 PolarHBondContact O-N 3.33Å; P1225-A1228 PolarHBondContact O-N 3.36Å |
| 1226 | D | 77.5 | Confident | 81.7 | Confident | 145 Ų | 145 | 44.4 Ų | 44.4 | 78% | 0.775 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -69.3 | -16.2 | -179.6 | -55.7 | -36.8 | 0 | 0 | 0 | 113.2 | S1224 | S1224-D1226 PolarHBondContact O-N 2.74Š|
| 1227 | Q | 77.1 | Confident | 81.7 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -113 | -6.3 | -176.3 | -64 | -179.6 | -26.3 | 0 | 0 | 112.8 | S1191 Y1221 S1224 P1225 T1229 Y1230 G1231 | S1191-Q1227 PolarHBondContact O-NE2 2.91Å; Y1221-Q1227 HydrophobicContact CD1-CB 4.17Å; Y1221-Q1227 HydrophobicContact CE1-CB 3.75Å; Y1221-Q1227 HydrophobicContact CE1-CG 4.42Å; Y1221-Q1227 HydrophobicContact CE2-CB 4.42Å; Y1221-Q1227 HydrophobicContact CE2-CG 4.3Å; S1224-Q1227 PolarHBondContact O-N 3.08Å; S1224-Q1227 VanDerWaalsContact O-N 3.16Å; P1225-Q1227 PolarHBondContact O-N 3.33Å; Q1227-T1229 PolarHBondContact O-N 3.41Å; Q1227-Y1230 PolarHBondContact O-N 3.13Å; Q1227-G1231 PolarHBondContact O-N 3.41Å |
| 1228 | A | 81.4 | Confident | 81.7 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1224 P1225 Y1230 G1231 F1232 I1265 A1268 | S1224-A1228 PolarHBondContact O-N 2.96Å; P1225-A1228 PolarHBondContact O-N 3.36Å; A1228-Y1230 PolarHBondContact O-N 3.33Å; A1228-G1231 PolarHBondContact O-N 2.83Å; A1228-F1232 HydrophobicContact CB-CD2 4.36Å; A1228-F1232 HydrophobicContact CB-CE2 4.08Å; A1228-F1232 WeakPolarHBondContact O-CD2 3.32Å; A1228-F1232 PolarHBondContact O-N 2.85Å; A1228-I1265 HydrophobicContact CB-CG1 4.16Å; A1228-A1268 HydrophobicContact CB-CB 4.14Å |
| 1229 | T | 82.2 | Confident | 81.6 | Confident | 89 Ų | 89 | 41.2 Ų | 41.2 | 55% | 0.546 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54.6 | -57.1 | 178.9 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | Q1227 G1231 F1232 E1233 A1268 | Q1227-T1229 PolarHBondContact O-N 3.41Å; T1229-G1231 VanDerWaalsContact C-N 3.31Å; T1229-G1231 PolarHBondContact O-N 2.69Å; T1229-F1232 PolarHBondContact O-N 2.77Å; T1229-E1233 WeakPolarHBondContact O-CG 3.44Å; T1229-E1233 PolarHBondContact O-N 3.32Å; T1229-A1268 HydrophobicContact CG2-CB 4.05Å |
| 1230 | Y | 82 | Confident | 81.5 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 18% | 0.184 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -34.1 | 178.7 | -167.2 | -105.7 | 0 | 0 | 0 | 112.9 | Q1197 H1198 S1201 Y1221 Q1227 A1228 E1233 I1234 | Q1197-Y1230 HydrophobicContact CB-CD1 3.92Å; Q1197-Y1230 HydrophobicContact CB-CE1 3.55Å; Q1197-Y1230 WeakPolarHBondContact O-CE1 3.21Å; Q1197-Y1230 PolarHBondContact O-OH 3.18Å; H1198-Y1230 WeakPolarHBondContact CA-OH 3.17Å; S1201-Y1230 VanDerWaalsContact CB-OH 3.23Å; S1201-Y1230 WeakPolarHBondContact CB-OH 3.43Å; Y1221-Y1230 HydrophobicContact CE1-CD1 4.24Å; Q1227-Y1230 PolarHBondContact O-N 3.13Å; A1228-Y1230 PolarHBondContact O-N 3.33Å; Y1230-E1233 PolarHBondContact O-N 3.34Å; Y1230-I1234 HydrophobicContact CD1-CD1 3.55Å; Y1230-I1234 HydrophobicContact CD1-CG1 4.2Å; Y1230-I1234 HydrophobicContact CE1-CD1 3.46Å; Y1230-I1234 VanDerWaalsContact CE1-CD1 3.46Å; Y1230-I1234 HydrophobicContact CE1-CG1 3.96Å; Y1230-I1234 WeakPolarHBondContact O-CD1 3.16Å; Y1230-I1234 VanDerWaalsContact O-CG1 3.24Å; Y1230-I1234 WeakPolarHBondContact O-CG1 3.47Å; Y1230-I1234 PolarHBondContact O-N 3.27Å |
| 1231 | G | 83.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1222 Q1227 A1228 T1229 I1234 L1235 | C1222-G1231 PolarHBondContact SG-O 3.09Å; Q1227-G1231 PolarHBondContact O-N 3.41Å; A1228-G1231 PolarHBondContact O-N 2.83Å; T1229-G1231 VanDerWaalsContact C-N 3.31Å; T1229-G1231 PolarHBondContact O-N 2.69Å; G1231-I1234 WeakPolarHBondContact O-CB 3.26Å; G1231-I1234 PolarHBondContact O-N 2.95Å; G1231-L1235 PolarHBondContact O-N 3.36Å |
| 1232 | F | 85 | Confident | 80.7 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -76.9 | -31.9 | 176.6 | -64.9 | -58.2 | 0 | 0 | 0 | 113.1 | C1222 A1228 T1229 I1234 L1235 R1236 L1254 F1257 I1265 A1268 A1269 A1272 | C1222-F1232 HydrophobicContact CB-CD1 4.44Å; C1222-F1232 HydrophobicContact CB-CE1 3.82Å; C1222-F1232 HydrophobicContact CB-CZ 3.85Å; A1228-F1232 HydrophobicContact CB-CD2 4.36Å; A1228-F1232 HydrophobicContact CB-CE2 4.08Å; A1228-F1232 WeakPolarHBondContact O-CD2 3.32Å; A1228-F1232 PolarHBondContact O-N 2.85Å; T1229-F1232 PolarHBondContact O-N 2.77Å; F1232-I1234 VanDerWaalsContact C-N 3.33Å; F1232-I1234 PolarHBondContact O-N 2.92Å; F1232-L1235 HydrophobicContact CD1-CD2 4.23Å; F1232-L1235 HydrophobicContact CE1-CD2 4.5Å; F1232-L1235 PolarHBondContact O-N 3.28Å; F1232-R1236 WeakPolarHBondContact O-CB 3.42Å; F1232-R1236 PolarHBondContact O-N 3.31Å; F1232-L1254 HydrophobicContact CD1-CD1 3.63Å; F1232-L1254 HydrophobicContact CE1-CD1 4.23Å; F1232-L1254 HydrophobicContact CG-CD1 4.41Å; F1232-F1257 HydrophobicContact CE1-CB 3.57Å; F1232-F1257 HydrophobicContact CE1-CD1 4.04Å; F1232-F1257 AromaticContact CE1-CD2 3.58Å; F1232-F1257 HydrophobicContact CE1-CD2 3.58Å; F1232-F1257 HydrophobicContact CE1-CE2 4.22Å; F1232-F1257 AromaticContact CE1-CG 3.48Å; F1232-F1257 HydrophobicContact CE1-CG 3.48Å; F1232-F1257 VanDerWaalsContact CE1-CG 3.48Å; F1232-F1257 HydrophobicContact CZ-CB 3.63Å; F1232-F1257 AromaticContact CZ-CD1 3.62Å; F1232-F1257 HydrophobicContact CZ-CD1 3.62Å; F1232-F1257 HydrophobicContact CZ-CD2 4.06Å; F1232-F1257 HydrophobicContact CZ-CE1 4.21Å; F1232-F1257 AromaticContact CZ-CG 3.53Å; F1232-F1257 HydrophobicContact CZ-CG 3.53Å; F1232-I1265 HydrophobicContact CE2-CG2 3.84Å; F1232-I1265 WeakPolarHBondContact CE2-O 3.48Å; F1232-I1265 HydrophobicContact CZ-CG2 3.86Å; F1232-A1268 HydrophobicContact CD2-CB 3.63Å; F1232-A1268 HydrophobicContact CE2-CB 4.14Å; F1232-A1269 HydrophobicContact CD1-CB 4.23Å; F1232-A1269 HydrophobicContact CD2-CB 4.12Å; F1232-A1269 HydrophobicContact CE1-CB 3.94Å; F1232-A1269 HydrophobicContact CE2-CB 3.82Å; F1232-A1269 HydrophobicContact CG-CB 4.33Å; F1232-A1269 HydrophobicContact CZ-CB 3.75Å; F1232-A1272 HydrophobicContact CB-CB 3.67Å |
| 1233 | E | 81.4 | Confident | 79.9 | Confident | 100 Ų | 100 | 37.2 Ų | 37.2 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 166.4 | -72.9 | 167.7 | -152.4 | 0 | 0 | 111.6 | T1229 Y1230 T1237 | T1229-E1233 WeakPolarHBondContact O-CG 3.44Å; T1229-E1233 PolarHBondContact O-N 3.32Å; Y1230-E1233 PolarHBondContact O-N 3.34Å; E1233-T1237 WeakPolarHBondContact O-CB 3.39Å; E1233-T1237 PolarHBondContact O-N 2.88Å; E1233-T1237 PolarHBondContact O-OG1 2.83Å |
| 1234 | I | 82.1 | Confident | 78.9 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -49.9 | 172.6 | -68 | 158.6 | 0 | 0 | 0 | 110.6 | F1200 L1204 L1218 Y1221 Y1230 G1231 F1232 R1236 T1237 L1238 | F1200-I1234 HydrophobicContact CD1-CD1 3.75Å; F1200-I1234 HydrophobicContact CE1-CD1 4.08Å; L1204-I1234 HydrophobicContact CD1-CG2 3.96Å; L1218-I1234 HydrophobicContact CD1-CG2 4.19Å; Y1221-I1234 HydrophobicContact CE1-CD1 4.3Å; Y1230-I1234 HydrophobicContact CD1-CD1 3.55Å; Y1230-I1234 HydrophobicContact CD1-CG1 4.2Å; Y1230-I1234 HydrophobicContact CE1-CD1 3.46Å; Y1230-I1234 VanDerWaalsContact CE1-CD1 3.46Å; Y1230-I1234 HydrophobicContact CE1-CG1 3.96Å; Y1230-I1234 WeakPolarHBondContact O-CD1 3.16Å; Y1230-I1234 VanDerWaalsContact O-CG1 3.24Å; Y1230-I1234 WeakPolarHBondContact O-CG1 3.47Å; Y1230-I1234 PolarHBondContact O-N 3.27Å; G1231-I1234 WeakPolarHBondContact O-CB 3.26Å; G1231-I1234 PolarHBondContact O-N 2.95Å; F1232-I1234 VanDerWaalsContact C-N 3.33Å; F1232-I1234 PolarHBondContact O-N 2.92Å; I1234-R1236 PolarHBondContact O-N 3.18Å; I1234-T1237 CarbonylContact O-C 3.39Å; I1234-T1237 WeakPolarHBondContact O-CB 3.39Å; I1234-T1237 PolarHBondContact O-N 3.27Å; I1234-T1237 VanDerWaalsContact O-N 3.15Å; I1234-L1238 HydrophobicContact CG2-CD1 3.78Å; I1234-L1238 HydrophobicContact CG2-CG 4.15Å; I1234-L1238 WeakPolarHBondContact O-CG 3.38Å; I1234-L1238 PolarHBondContact O-N 3.11Å |
| 1235 | L | 84.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | -175.7 | -175.3 | 52.9 | 0 | 0 | 0 | 111.6 | L1218 G1231 F1232 L1238 I1239 L1250 M1253 L1254 | L1218-L1235 HydrophobicContact CD2-CD1 3.97Å; G1231-L1235 PolarHBondContact O-N 3.36Å; F1232-L1235 HydrophobicContact CD1-CD2 4.23Å; F1232-L1235 HydrophobicContact CE1-CD2 4.5Å; F1232-L1235 PolarHBondContact O-N 3.28Å; L1235-L1238 PolarHBondContact O-N 3.03Å; L1235-I1239 HydrophobicContact CG-CD1 4.45Å; L1235-I1239 WeakPolarHBondContact O-CG1 3.2Å; L1235-I1239 PolarHBondContact O-N 3.38Å; L1235-I1239 VanDerWaalsContact O-N 3.1Å; L1235-L1250 HydrophobicContact CD1-CB 4.04Å; L1235-L1250 HydrophobicContact CD1-CD2 3.8Å; L1235-L1250 HydrophobicContact CD1-CG 4.48Å; L1235-M1253 HydrophobicContact CD2-CG 4.31Å; L1235-L1254 HydrophobicContact CD2-CB 3.69Å; L1235-L1254 HydrophobicContact CD2-CD1 4.09Å; L1235-L1254 HydrophobicContact CD2-CG 4.46Å; L1235-L1254 HydrophobicContact CG-CB 4.14Å |
| 1236 | R | 85.7 | Confident | 77.9 | Confident | 35 Ų | 35 | 41.4 Ų | 41.4 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 169.8 | 177.9 | 179.1 | 166.3 | -149.2 | -10.1 | 111.3 | F1021 F1232 I1234 L1238 I1239 E1240 E1275 L1276 S1279 | F1021-R1236 VanDerWaalsContact CZ-NH2 3.32Å; F1232-R1236 WeakPolarHBondContact O-CB 3.42Å; F1232-R1236 PolarHBondContact O-N 3.31Å; I1234-R1236 PolarHBondContact O-N 3.18Å; R1236-L1238 PolarHBondContact O-N 3.08Å; R1236-I1239 PolarHBondContact O-N 3.3Å; R1236-I1239 VanDerWaalsContact O-N 3.12Å; R1236-E1240 WeakPolarHBondContact CG-OE1 3.39Å; R1236-E1240 IonicContact CZ-OE1 3.12Å; R1236-E1240 IonicContact NE-OE1 2.89Å; R1236-E1240 PolarHBondContact NE-OE1 3.1Å; R1236-E1240 IonicContact NH2-OE1 3.32Å; R1236-E1240 PolarHBondContact NH2-OE1 3.44Å; R1236-E1240 VanDerWaalsContact NH2-OE1 3.16Å; R1236-E1240 WeakPolarHBondContact O-CG 3.36Å; R1236-E1240 PolarHBondContact O-N 2.96Å; R1236-E1275 IonicContact CZ-OE2 2.94Å; R1236-E1275 IonicContact NH1-OE2 3.16Å; R1236-E1275 PolarHBondContact NH1-OE2 3.1Å; R1236-L1276 HydrophobicContact CG-CB 4.38Å; R1236-L1276 HydrophobicContact CG-CD1 4.34Å; R1236-S1279 PolarHBondContact NH2-OG 2.71Å |
| 1237 | T | 82.1 | Confident | 77.8 | Confident | 38 Ų | 38 | 37 Ų | 37 | 23% | 0.233 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -35.5 | 178.7 | -56 | 0 | 0 | 0 | 0 | 112.2 | I1205 E1233 I1234 T1241 | I1205-T1237 HydrophobicContact CD1-CG2 3.63Å; I1205-T1237 HydrophobicContact CG1-CG2 4.34Å; E1233-T1237 WeakPolarHBondContact O-CB 3.39Å; E1233-T1237 PolarHBondContact O-N 2.88Å; E1233-T1237 PolarHBondContact O-OG1 2.83Å; I1234-T1237 CarbonylContact O-C 3.39Å; I1234-T1237 WeakPolarHBondContact O-CB 3.39Å; I1234-T1237 PolarHBondContact O-N 3.27Å; I1234-T1237 VanDerWaalsContact O-N 3.15Å; T1237-T1241 HydrophobicContact CG2-CG2 4.25Å; T1237-T1241 WeakPolarHBondContact O-CB 3.42Å; T1237-T1241 WeakPolarHBondContact O-CG2 3.44Å; T1237-T1241 PolarHBondContact O-N 3.4Å; T1237-T1241 PolarHBondContact O-OG1 3Å |
| 1238 | L | 81.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | 177.1 | -70 | 171.5 | 0 | 0 | 0 | 112.3 | L1204 I1205 L1218 I1234 L1235 R1236 T1241 R1242 L1250 | L1204-L1238 HydrophobicContact CB-CD1 4.18Å; L1204-L1238 HydrophobicContact CB-CD2 4.13Å; L1204-L1238 VanDerWaalsContact O-CD2 3.29Å; L1204-L1238 WeakPolarHBondContact O-CD2 3.45Å; I1205-L1238 HydrophobicContact CG1-CD2 3.84Å; L1218-L1238 HydrophobicContact CD2-CD1 3.68Å; I1234-L1238 HydrophobicContact CG2-CD1 3.78Å; I1234-L1238 HydrophobicContact CG2-CG 4.15Å; I1234-L1238 WeakPolarHBondContact O-CG 3.38Å; I1234-L1238 PolarHBondContact O-N 3.11Å; L1235-L1238 PolarHBondContact O-N 3.03Å; R1236-L1238 PolarHBondContact O-N 3.08Å; L1238-T1241 PolarHBondContact O-N 2.62Å; L1238-R1242 WeakPolarHBondContact O-CB 3.47Å; L1238-R1242 WeakPolarHBondContact O-CG 3.22Å; L1238-R1242 PolarHBondContact O-N 3.21Å; L1238-L1250 HydrophobicContact CB-CD1 4.13Å |
| 1239 | I | 82.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.8 | -64.5 | 160.9 | 0 | 0 | 0 | 110.4 | L1235 R1236 L1250 L1251 L1254 L1276 W1283 | L1235-I1239 HydrophobicContact CG-CD1 4.45Å; L1235-I1239 WeakPolarHBondContact O-CG1 3.2Å; L1235-I1239 PolarHBondContact O-N 3.38Å; L1235-I1239 VanDerWaalsContact O-N 3.1Å; R1236-I1239 PolarHBondContact O-N 3.3Å; R1236-I1239 VanDerWaalsContact O-N 3.12Å; I1239-L1250 HydrophobicContact CD1-CB 4.4Å; I1239-L1250 HydrophobicContact CG1-CB 3.74Å; I1239-L1251 HydrophobicContact CD1-CB 4.42Å; I1239-L1251 HydrophobicContact CD1-CD1 4.41Å; I1239-L1254 HydrophobicContact CD1-CB 4.4Å; I1239-L1254 HydrophobicContact CD1-CD2 3.98Å; I1239-L1276 HydrophobicContact CD1-CD2 3.84Å; I1239-L1276 HydrophobicContact CG2-CD1 4.13Å; I1239-L1276 HydrophobicContact CG2-CD2 4.12Å; I1239-W1283 HydrophobicContact CG2-CD2 4.21Å; I1239-W1283 HydrophobicContact CG2-CH2 4.18Å; I1239-W1283 HydrophobicContact CG2-CZ2 3.7Å |
| 1240 | E | 80.9 | Confident | 77.7 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -40.1 | 178.5 | -69.1 | 174 | -176.5 | 0 | 0 | 112.8 | I1017 R1236 L1276 | I1017-E1240 HydrophobicContact CD1-CB 4.23Å; R1236-E1240 WeakPolarHBondContact CG-OE1 3.39Å; R1236-E1240 IonicContact CZ-OE1 3.12Å; R1236-E1240 IonicContact NE-OE1 2.89Å; R1236-E1240 PolarHBondContact NE-OE1 3.1Å; R1236-E1240 IonicContact NH2-OE1 3.32Å; R1236-E1240 PolarHBondContact NH2-OE1 3.44Å; R1236-E1240 VanDerWaalsContact NH2-OE1 3.16Å; R1236-E1240 WeakPolarHBondContact O-CG 3.36Å; R1236-E1240 PolarHBondContact O-N 2.96Å; E1240-L1276 HydrophobicContact CG-CD1 4.01Å |
| 1241 | T | 75.8 | Confident | 77.8 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -100.2 | -14.1 | -169.2 | 61.6 | 0 | 0 | 0 | 0 | 116.6 | L1010 I1013 T1237 L1238 | L1010-T1241 HydrophobicContact CD2-CG2 3.81Å; I1013-T1241 HydrophobicContact CG2-CG2 4.4Å; T1237-T1241 HydrophobicContact CG2-CG2 4.25Å; T1237-T1241 WeakPolarHBondContact O-CB 3.42Å; T1237-T1241 WeakPolarHBondContact O-CG2 3.44Å; T1237-T1241 PolarHBondContact O-N 3.4Å; T1237-T1241 PolarHBondContact O-OG1 3Å; L1238-T1241 PolarHBondContact O-N 2.62Å |
| 1242 | R | 71.1 | Confident | 77.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -79.7 | 156.4 | -179.7 | -76.2 | -81.9 | 166.8 | -164.8 | -8.2 | 112.9 | L1204 I1205 A1207 P1208 L1210 L1238 R1247 | L1204-R1242 PolarHBondContact O-NH2 3.23Å; I1205-R1242 PolarHBondContact O-NH2 3.19Å; A1207-R1242 VanDerWaalsContact O-CZ 3.24Å; A1207-R1242 PolarHBondContact O-NH1 2.77Å; A1207-R1242 PolarHBondContact O-NH2 2.7Å; P1208-R1242 PolarHBondContact O-NH1 3.3Å; L1210-R1242 HydrophobicContact CD1-CG 4.37Å; L1238-R1242 WeakPolarHBondContact O-CB 3.47Å; L1238-R1242 WeakPolarHBondContact O-CG 3.22Å; L1238-R1242 PolarHBondContact O-N 3.21Å; R1242-R1247 PolarHBondContact O-NE 3.32Å; R1242-R1247 PolarHBondContact O-NH2 3.36Å |
| 1243 | P | 63.9 | Low | 77.6 | Confident | 86 Ų | 86 | 45.7 Ų | 45.7 | 56% | 0.558 | 25% | 0.246 | S | C | * | . | trans | -70.4 | 162.1 | 164.7 | 31.6 | -34.6 | 0 | 0 | 0 | 111.7 | S1245 | P1243-S1245 PolarHBondContact O-N 3.31Š| ||
| 1244 | V | 60.2 | Low | 77.8 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 58% | 0.576 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -53.4 | -47.1 | -160 | -171.2 | 0 | 0 | 0 | 0 | 115.2 | Q1246 R1247 | V1244-Q1246 PolarHBondContact O-N 3.19Å; V1244-R1247 WeakPolarHBondContact O-CB 3.38Å; V1244-R1247 WeakPolarHBondContact O-CG 3.4Å; V1244-R1247 PolarHBondContact O-N 3.42Å |
| 1245 | S | 63.7 | Low | 77.8 | Confident | 116 Ų | 116 | 40.9 Ų | 40.9 | 81% | 0.811 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -65.7 | 2.2 | -163.1 | -43.7 | 0 | 0 | 0 | 0 | 117.8 | P1243 | P1243-S1245 PolarHBondContact O-N 3.31Š|
| 1246 | Q | 71.2 | Confident | 77.7 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 20% | 0.201 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -127.9 | 2.4 | 173.7 | -52 | -161.7 | -79.4 | 0 | 0 | 112.5 | L1210 V1244 L1250 | L1210-Q1246 PolarHBondContact O-NE2 2.79Å; V1244-Q1246 PolarHBondContact O-N 3.19Å; Q1246-L1250 WeakPolarHBondContact O-CD1 3.48Å; Q1246-L1250 VanDerWaalsContact O-CG 3.3Å; Q1246-L1250 WeakPolarHBondContact O-CG 3.41Å; Q1246-L1250 PolarHBondContact O-N 3Å |
| 1247 | R | 75.6 | Confident | 77.6 | Confident | 54 Ų | 54 | 42 Ų | 42 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.9 | -38 | -175.2 | -62.7 | -175.8 | 178.9 | -165.3 | -14.9 | 111.7 | R1242 V1244 L1250 L1251 W1283 | R1242-R1247 PolarHBondContact O-NE 3.32Å; R1242-R1247 PolarHBondContact O-NH2 3.36Å; V1244-R1247 WeakPolarHBondContact O-CB 3.38Å; V1244-R1247 WeakPolarHBondContact O-CG 3.4Å; V1244-R1247 PolarHBondContact O-N 3.42Å; R1247-L1250 PolarHBondContact O-N 3.17Å; R1247-L1251 WeakPolarHBondContact O-CB 3.39Å; R1247-L1251 PolarHBondContact O-N 3.03Å; R1247-W1283 HydrophobicContact CB-CH2 3.69Å; R1247-W1283 HydrophobicContact CB-CZ2 4.45Å; R1247-W1283 HydrophobicContact CB-CZ3 4.38Å; R1247-W1283 VanDerWaalsContact CD-CH2 3.43Å; R1247-W1283 HydrophobicContact CG-CH2 4.19Å |
| 1248 | E | 78.1 | Confident | 77.5 | Confident | 121 Ų | 121 | 40.3 Ų | 40.3 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.7 | -46.2 | 176.7 | -70.7 | 160.4 | -136.2 | 0 | 0 | 111.6 | L1250 L1251 N1252 | E1248-L1250 PolarHBondContact O-N 3.24Å; E1248-L1251 PolarHBondContact O-N 3.13Å; E1248-N1252 VanDerWaalsContact O-CB 3.25Å; E1248-N1252 WeakPolarHBondContact O-CB 3.28Å; E1248-N1252 VanDerWaalsContact O-CG 3.25Å; E1248-N1252 PolarHBondContact O-N 2.97Å; E1248-N1252 PolarHBondContact O-ND2 3.34Å; E1248-N1252 VanDerWaalsContact O-ND2 3.08Å |
| 1249 | D | 79.2 | Confident | 77.2 | Confident | 108 Ų | 108 | 40.5 Ų | 40.5 | 58% | 0.578 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.8 | -42.7 | 175.7 | -67.3 | -35.2 | 0 | 0 | 0 | 112.7 | M1253 | D1249-M1253 WeakPolarHBondContact O-CB 3.45Å; D1249-M1253 PolarHBondContact O-N 3.16Å |
| 1250 | L | 82 | Confident | 77 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.5 | -37.8 | -179.9 | -68.1 | 170.7 | 0 | 0 | 0 | 112.2 | L1210 T1215 L1235 L1238 I1239 Q1246 R1247 E1248 M1253 L1254 | L1210-L1250 HydrophobicContact CD1-CD1 3.98Å; T1215-L1250 HydrophobicContact CG2-CD2 4.06Å; L1235-L1250 HydrophobicContact CD1-CB 4.04Å; L1235-L1250 HydrophobicContact CD1-CD2 3.8Å; L1235-L1250 HydrophobicContact CD1-CG 4.48Å; L1238-L1250 HydrophobicContact CB-CD1 4.13Å; I1239-L1250 HydrophobicContact CD1-CB 4.4Å; I1239-L1250 HydrophobicContact CG1-CB 3.74Å; Q1246-L1250 WeakPolarHBondContact O-CD1 3.48Å; Q1246-L1250 VanDerWaalsContact O-CG 3.3Å; Q1246-L1250 WeakPolarHBondContact O-CG 3.41Å; Q1246-L1250 PolarHBondContact O-N 3Å; R1247-L1250 PolarHBondContact O-N 3.17Å; E1248-L1250 PolarHBondContact O-N 3.24Å; L1250-M1253 WeakPolarHBondContact O-CB 3.34Å; L1250-M1253 PolarHBondContact O-N 3.42Å; L1250-L1254 PolarHBondContact O-N 3.18Å |
| 1251 | L | 83.8 | Confident | 76.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -48 | 174 | -178.1 | 68.6 | 0 | 0 | 0 | 110.5 | I1239 R1247 E1248 M1253 L1254 L1255 L1276 W1283 H1286 I1287 | I1239-L1251 HydrophobicContact CD1-CB 4.42Å; I1239-L1251 HydrophobicContact CD1-CD1 4.41Å; R1247-L1251 WeakPolarHBondContact O-CB 3.39Å; R1247-L1251 PolarHBondContact O-N 3.03Å; E1248-L1251 PolarHBondContact O-N 3.13Å; L1251-M1253 VanDerWaalsContact C-N 3.26Å; L1251-M1253 PolarHBondContact O-N 3.01Å; L1251-L1254 PolarHBondContact O-N 3.38Å; L1251-L1254 VanDerWaalsContact O-N 3.16Å; L1251-L1255 HydrophobicContact CD1-CD1 4.3Å; L1251-L1255 HydrophobicContact CD1-CG 4.48Å; L1251-L1255 HydrophobicContact CD2-CD1 4.4Å; L1251-L1255 HydrophobicContact CG-CD1 3.81Å; L1251-L1255 HydrophobicContact CG-CG 4.4Å; L1251-L1255 WeakPolarHBondContact O-CB 3.49Å; L1251-L1255 VanDerWaalsContact O-CG 3.26Å; L1251-L1255 WeakPolarHBondContact O-CG 3.47Å; L1251-L1255 PolarHBondContact O-N 3.36Å; L1251-L1276 HydrophobicContact CD1-CD2 3.71Å; L1251-W1283 HydrophobicContact CD2-CE3 3.81Å; L1251-W1283 HydrophobicContact CD2-CZ3 4.17Å; L1251-H1286 HydrophobicContact CD2-CB 3.79Å; L1251-I1287 HydrophobicContact CD1-CD1 4.25Å; L1251-I1287 HydrophobicContact CD1-CG1 3.97Å |
| 1252 | N | 83.1 | Confident | 76.6 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 39% | 0.385 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 173.4 | -76.5 | -38 | 0 | 0 | 0 | 111.2 | E1248 L1255 H1256 | E1248-N1252 VanDerWaalsContact O-CB 3.25Å; E1248-N1252 WeakPolarHBondContact O-CB 3.28Å; E1248-N1252 VanDerWaalsContact O-CG 3.25Å; E1248-N1252 PolarHBondContact O-N 2.97Å; E1248-N1252 PolarHBondContact O-ND2 3.34Å; E1248-N1252 VanDerWaalsContact O-ND2 3.08Å; N1252-L1255 PolarHBondContact O-N 3.42Å; N1252-H1256 PolarHBondContact O-N 3.41Å; N1252-H1256 PolarHBondContact O-ND1 2.86Å |
| 1253 | M | 81.8 | Confident | 77 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 174.1 | -178.2 | 170.3 | -67.4 | 0 | 0 | 111.9 | T1215 K1219 L1235 D1249 L1250 L1251 L1255 H1256 F1257 | T1215-M1253 WeakPolarHBondContact O-CE 3.36Å; K1219-M1253 HydrophobicContact CB-CE 4.12Å; K1219-M1253 HydrophobicContact CB-SD 4.06Å; L1235-M1253 HydrophobicContact CD2-CG 4.31Å; D1249-M1253 WeakPolarHBondContact O-CB 3.45Å; D1249-M1253 PolarHBondContact O-N 3.16Å; L1250-M1253 WeakPolarHBondContact O-CB 3.34Å; L1250-M1253 PolarHBondContact O-N 3.42Å; L1251-M1253 VanDerWaalsContact C-N 3.26Å; L1251-M1253 PolarHBondContact O-N 3.01Å; M1253-L1255 PolarHBondContact O-N 2.94Å; M1253-H1256 PolarHBondContact O-N 2.83Å; M1253-F1257 HydrophobicContact CG-CD2 4.17Å; M1253-F1257 HydrophobicContact CG-CE2 3.86Å; M1253-F1257 WeakPolarHBondContact O-CD2 3.5Å; M1253-F1257 PolarHBondContact O-N 3.1Å |
| 1254 | L | 84.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 177 | 177.3 | 61.8 | 0 | 0 | 0 | 111.7 | F1232 L1235 I1239 L1250 L1251 H1256 F1257 A1272 T1273 L1276 | F1232-L1254 HydrophobicContact CD1-CD1 3.63Å; F1232-L1254 HydrophobicContact CE1-CD1 4.23Å; F1232-L1254 HydrophobicContact CG-CD1 4.41Å; L1235-L1254 HydrophobicContact CD2-CB 3.69Å; L1235-L1254 HydrophobicContact CD2-CD1 4.09Å; L1235-L1254 HydrophobicContact CD2-CG 4.46Å; L1235-L1254 HydrophobicContact CG-CB 4.14Å; I1239-L1254 HydrophobicContact CD1-CB 4.4Å; I1239-L1254 HydrophobicContact CD1-CD2 3.98Å; L1250-L1254 PolarHBondContact O-N 3.18Å; L1251-L1254 PolarHBondContact O-N 3.38Å; L1251-L1254 VanDerWaalsContact O-N 3.16Å; L1254-H1256 PolarHBondContact O-N 3.27Å; L1254-F1257 WeakPolarHBondContact O-CB 3.42Å; L1254-F1257 PolarHBondContact O-N 3.11Å; L1254-F1257 VanDerWaalsContact O-N 3.08Å; L1254-A1272 HydrophobicContact CD1-CB 4.42Å; L1254-T1273 WeakPolarHBondContact CG-OG1 3.38Å; L1254-L1276 HydrophobicContact CD2-CD2 3.87Å |
| 1255 | L | 82.6 | Confident | 78.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -39.8 | -178.5 | -75 | 170.1 | 0 | 0 | 0 | 112.8 | L1251 N1252 M1253 F1257 C1258 T1273 I1287 F1290 L1331 | L1251-L1255 HydrophobicContact CD1-CD1 4.3Å; L1251-L1255 HydrophobicContact CD1-CG 4.48Å; L1251-L1255 HydrophobicContact CD2-CD1 4.4Å; L1251-L1255 HydrophobicContact CG-CD1 3.81Å; L1251-L1255 HydrophobicContact CG-CG 4.4Å; L1251-L1255 WeakPolarHBondContact O-CB 3.49Å; L1251-L1255 VanDerWaalsContact O-CG 3.26Å; L1251-L1255 WeakPolarHBondContact O-CG 3.47Å; L1251-L1255 PolarHBondContact O-N 3.36Å; N1252-L1255 PolarHBondContact O-N 3.42Å; M1253-L1255 PolarHBondContact O-N 2.94Å; L1255-F1257 VanDerWaalsContact C-N 3.3Å; L1255-F1257 PolarHBondContact O-N 2.78Å; L1255-C1258 WeakPolarHBondContact O-CB 3.29Å; L1255-C1258 PolarHBondContact O-N 3.36Å; L1255-T1273 HydrophobicContact CD2-CG2 4.05Å; L1255-I1287 HydrophobicContact CD2-CB 4.45Å; L1255-I1287 HydrophobicContact CD2-CG1 4.2Å; L1255-I1287 HydrophobicContact CD2-CG2 4.24Å; L1255-F1290 HydrophobicContact CB-CD1 3.74Å; L1255-F1290 HydrophobicContact CB-CD2 4.15Å; L1255-F1290 HydrophobicContact CB-CE1 3.67Å; L1255-F1290 HydrophobicContact CB-CE2 4.09Å; L1255-F1290 HydrophobicContact CB-CG 3.97Å; L1255-F1290 HydrophobicContact CB-CZ 3.86Å; L1255-F1290 HydrophobicContact CD1-CB 3.78Å; L1255-F1290 HydrophobicContact CD1-CD1 4.24Å; L1255-F1290 HydrophobicContact CD1-CD2 4.16Å; L1255-F1290 HydrophobicContact CD1-CG 3.81Å; L1255-F1290 HydrophobicContact CD2-CB 4.28Å; L1255-F1290 HydrophobicContact CD2-CD1 3.78Å; L1255-F1290 HydrophobicContact CD2-CE1 4.39Å; L1255-F1290 HydrophobicContact CD2-CG 4.15Å; L1255-F1290 HydrophobicContact CG-CD1 4.13Å; L1255-F1290 HydrophobicContact CG-CG 4.21Å; L1255-F1290 WeakPolarHBondContact O-CE1 3.28Å; L1255-L1331 HydrophobicContact CD2-CD2 3.74Å |
| 1256 | H | 83.1 | Confident | 79.9 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.8 | -23 | 174.3 | -71.4 | 101.2 | 0 | 0 | 0 | 113.4 | N1252 M1253 L1254 C1258 S1259 F1290 P1309 F1310 | N1252-H1256 PolarHBondContact O-N 3.41Å; N1252-H1256 PolarHBondContact O-ND1 2.86Å; M1253-H1256 PolarHBondContact O-N 2.83Å; L1254-H1256 PolarHBondContact O-N 3.27Å; H1256-C1258 VanDerWaalsContact C-N 3.25Å; H1256-C1258 PolarHBondContact O-N 3.28Å; H1256-S1259 PolarHBondContact O-N 3.45Å; H1256-S1259 PolarHBondContact O-OG 2.96Å; H1256-F1290 AromaticContact CE1-CE2 3.94Å; H1256-F1290 AromaticContact NE2-CE2 3.86Å; H1256-P1309 HydrophobicContact CB-CG 3.96Å; H1256-F1310 HydrophobicContact CB-CE2 4.18Å; H1256-F1310 WeakPolarHBondContact O-CE2 3.3Å |
| 1257 | F | 82.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.9 | -22 | 172.3 | -85.8 | -74.8 | 0 | 0 | 0 | 113 | K1219 C1222 F1232 M1253 L1254 L1255 S1259 V1260 I1265 A1269 F1310 | K1219-F1257 HydrophobicContact CB-CZ 4.46Å; K1219-F1257 HydrophobicContact CG-CE2 4.11Å; K1219-F1257 HydrophobicContact CG-CZ 3.8Å; K1219-F1257 WeakPolarHBondContact O-CZ 3.38Å; C1222-F1257 HydrophobicContact CB-CE1 3.99Å; C1222-F1257 HydrophobicContact CB-CE2 3.88Å; C1222-F1257 HydrophobicContact CB-CZ 3.55Å; F1232-F1257 HydrophobicContact CE1-CB 3.57Å; F1232-F1257 HydrophobicContact CE1-CD1 4.04Å; F1232-F1257 AromaticContact CE1-CD2 3.58Å; F1232-F1257 HydrophobicContact CE1-CD2 3.58Å; F1232-F1257 HydrophobicContact CE1-CE2 4.22Å; F1232-F1257 AromaticContact CE1-CG 3.48Å; F1232-F1257 HydrophobicContact CE1-CG 3.48Å; F1232-F1257 VanDerWaalsContact CE1-CG 3.48Å; F1232-F1257 HydrophobicContact CZ-CB 3.63Å; F1232-F1257 AromaticContact CZ-CD1 3.62Å; F1232-F1257 HydrophobicContact CZ-CD1 3.62Å; F1232-F1257 HydrophobicContact CZ-CD2 4.06Å; F1232-F1257 HydrophobicContact CZ-CE1 4.21Å; F1232-F1257 AromaticContact CZ-CG 3.53Å; F1232-F1257 HydrophobicContact CZ-CG 3.53Å; M1253-F1257 HydrophobicContact CG-CD2 4.17Å; M1253-F1257 HydrophobicContact CG-CE2 3.86Å; M1253-F1257 WeakPolarHBondContact O-CD2 3.5Å; M1253-F1257 PolarHBondContact O-N 3.1Å; L1254-F1257 WeakPolarHBondContact O-CB 3.42Å; L1254-F1257 PolarHBondContact O-N 3.11Å; L1254-F1257 VanDerWaalsContact O-N 3.08Å; L1255-F1257 VanDerWaalsContact C-N 3.3Å; L1255-F1257 PolarHBondContact O-N 2.78Å; F1257-S1259 VanDerWaalsContact C-N 3.25Å; F1257-S1259 PolarHBondContact O-N 3.28Å; F1257-V1260 HydrophobicContact CD1-CG2 4.07Å; F1257-V1260 WeakPolarHBondContact O-CB 3.5Å; F1257-V1260 PolarHBondContact O-N 2.97Å; F1257-I1265 HydrophobicContact CD1-CG2 4Å; F1257-I1265 HydrophobicContact CE1-CG2 4.49Å; F1257-A1269 HydrophobicContact CB-CB 3.87Å; F1257-F1310 AromaticContact CD1-CE1 3.76Å; F1257-F1310 HydrophobicContact CD1-CE1 3.76Å; F1257-F1310 HydrophobicContact CD1-CE2 4.24Å; F1257-F1310 AromaticContact CD1-CZ 3.51Å; F1257-F1310 HydrophobicContact CD1-CZ 3.51Å; F1257-F1310 AromaticContact CD2-CZ 3.86Å; F1257-F1310 HydrophobicContact CD2-CZ 3.86Å; F1257-F1310 HydrophobicContact CE1-CD1 4.18Å; F1257-F1310 AromaticContact CE1-CE1 3.23Å; F1257-F1310 HydrophobicContact CE1-CE1 3.23Å; F1257-F1310 AromaticContact CE1-CZ 3.45Å; F1257-F1310 HydrophobicContact CE1-CZ 3.45Å; F1257-F1310 VanDerWaalsContact CE1-CZ 3.45Å; F1257-F1310 HydrophobicContact CE2-CE1 4.06Å; F1257-F1310 AromaticContact CE2-CZ 3.78Å; F1257-F1310 HydrophobicContact CE2-CZ 3.78Å; F1257-F1310 HydrophobicContact CG-CE1 4.38Å; F1257-F1310 HydrophobicContact CG-CE2 4.39Å; F1257-F1310 AromaticContact CG-CZ 3.73Å; F1257-F1310 HydrophobicContact CG-CZ 3.73Å; F1257-F1310 AromaticContact CZ-CE1 3.39Å; F1257-F1310 HydrophobicContact CZ-CE1 3.39Å; F1257-F1310 AromaticContact CZ-CZ 3.58Å; F1257-F1310 HydrophobicContact CZ-CZ 3.58Å |
| 1258 | C | 79.6 | Confident | 81 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.4 | 176.4 | -66.9 | 0 | 0 | 0 | 0 | 113.6 | L1255 H1256 R1266 L1270 T1273 L1331 | L1255-C1258 WeakPolarHBondContact O-CB 3.29Å; L1255-C1258 PolarHBondContact O-N 3.36Å; H1256-C1258 VanDerWaalsContact C-N 3.25Å; H1256-C1258 PolarHBondContact O-N 3.28Å; C1258-R1266 WeakPolarHBondContact O-CD 3.49Å; C1258-R1266 WeakPolarHBondContact O-CG 3.45Å; C1258-L1270 HydrophobicContact CB-CD2 4.1Å; C1258-T1273 PolarHBondContact SG-OG1 3.03Å; C1258-L1331 HydrophobicContact CB-CB 4.21Å; C1258-L1331 HydrophobicContact CB-CD2 4.3Å |
| 1259 | S | 77.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 11.7 | 175.3 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | H1256 F1257 I1307 | H1256-S1259 PolarHBondContact O-N 3.45Å; H1256-S1259 PolarHBondContact O-OG 2.96Å; F1257-S1259 VanDerWaalsContact C-N 3.25Å; F1257-S1259 PolarHBondContact O-N 3.28Å; S1259-I1307 WeakPolarHBondContact CB-O 3.42Å; S1259-I1307 PolarHBondContact OG-O 3.38Å |
| 1260 | V | 77.4 | Confident | 81.6 | Confident | 19 Ų | 19 | 30 Ų | 30 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | trans | -74.7 | 138.9 | 176.4 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | F1257 A1262 I1265 R1266 F1310 | F1257-V1260 HydrophobicContact CD1-CG2 4.07Å; F1257-V1260 WeakPolarHBondContact O-CB 3.5Å; F1257-V1260 PolarHBondContact O-N 2.97Å; V1260-A1262 VanDerWaalsContact C-N 3.35Å; V1260-A1262 HydrophobicContact CG1-CB 4.04Å; V1260-A1262 PolarHBondContact O-N 2.71Å; V1260-I1265 HydrophobicContact CG1-CG2 4.33Å; V1260-R1266 PolarHBondContact O-NH1 2.83Å; V1260-F1310 HydrophobicContact CG2-CB 4.31Å; V1260-F1310 HydrophobicContact CG2-CD1 4.39Å; V1260-F1310 HydrophobicContact CG2-CD2 3.4Å; V1260-F1310 HydrophobicContact CG2-CE2 3.67Å; V1260-F1310 HydrophobicContact CG2-CG 3.8Å; V1260-F1310 HydrophobicContact CG2-CZ 4.26Å | ||
| 1261 | D | 70.9 | Confident | 81.8 | Confident | 66 Ų | 66 | 33.5 Ų | 33.5 | 35% | 0.353 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -65.4 | -32.1 | -177 | -58.6 | -67 | 0 | 0 | 0 | 114.3 | L1263 R1266 F1308 | D1261-L1263 PolarHBondContact O-N 3.27Å; D1261-L1263 VanDerWaalsContact O-N 3.16Å; D1261-R1266 PolarHBondContact O-NH1 2.65Å; D1261-F1308 WeakPolarHBondContact OD1-CE1 3.38Å |
| 1262 | A | 77.9 | Confident | 81.7 | Confident | 47 Ų | 47 | 33.5 Ų | 33.5 | 39% | 0.388 | 18% | 0.18 | S | C | . | . | trans | -65.6 | 111.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1260 E1264 I1265 R1266 | V1260-A1262 VanDerWaalsContact C-N 3.35Å; V1260-A1262 HydrophobicContact CG1-CB 4.04Å; V1260-A1262 PolarHBondContact O-N 2.71Å; A1262-E1264 PolarHBondContact O-N 2.63Å; A1262-I1265 HydrophobicContact CB-CB 4.23Å; A1262-I1265 HydrophobicContact CB-CD1 3.94Å; A1262-I1265 HydrophobicContact CB-CG1 4.13Å; A1262-I1265 PolarHBondContact O-N 2.98Å; A1262-R1266 WeakPolarHBondContact O-CB 3.45Å; A1262-R1266 PolarHBondContact O-N 2.85Å | ||
| 1263 | L | 79.1 | Confident | 81.9 | Confident | 83 Ų | 83 | 30.1 Ų | 30.1 | 44% | 0.435 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -55.9 | -43 | -169.9 | -177.5 | 63.7 | 0 | 0 | 0 | 114.1 | D1261 R1266 K1267 | D1261-L1263 PolarHBondContact O-N 3.27Å; D1261-L1263 VanDerWaalsContact O-N 3.16Å; L1263-R1266 PolarHBondContact O-N 3.09Å; L1263-K1267 HydrophobicContact CD1-CG 4.46Å; L1263-K1267 HydrophobicContact CG-CD 4.14Å; L1263-K1267 WeakPolarHBondContact O-CB 3.45Å; L1263-K1267 VanDerWaalsContact O-CG 3.27Å; L1263-K1267 WeakPolarHBondContact O-CG 3.41Å; L1263-K1267 PolarHBondContact O-N 3.03Å |
| 1264 | E | 80.6 | Confident | 82 | Confident | 100 Ų | 100 | 33 Ų | 33 | 47% | 0.467 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -73.4 | -37.1 | -177.2 | -53.2 | -42.4 | 112 | 0 | 0 | 112.7 | A1262 K1267 A1268 | A1262-E1264 PolarHBondContact O-N 2.63Å; E1264-K1267 PolarHBondContact O-N 2.79Å; E1264-K1267 IonicContact OE1-NZ 3.33Å; E1264-K1267 PolarHBondContact OE1-NZ 3.37Å; E1264-K1267 VanDerWaalsContact OE2-CD 3.3Å; E1264-K1267 WeakPolarHBondContact OE2-CD 3.44Å; E1264-K1267 IonicContact OE2-NZ 2.62Å; E1264-K1267 PolarHBondContact OE2-NZ 3.32Å; E1264-A1268 WeakPolarHBondContact O-CB 3.18Å; E1264-A1268 PolarHBondContact O-N 3.46Å |
| 1265 | I | 83.6 | Confident | 81.8 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 172.4 | -59.1 | -179.7 | 0 | 0 | 0 | 109.2 | S1223 A1228 F1232 F1257 V1260 A1262 A1268 A1269 | S1223-I1265 WeakPolarHBondContact O-CD1 3.32Å; A1228-I1265 HydrophobicContact CB-CG1 4.16Å; F1232-I1265 HydrophobicContact CE2-CG2 3.84Å; F1232-I1265 WeakPolarHBondContact CE2-O 3.48Å; F1232-I1265 HydrophobicContact CZ-CG2 3.86Å; F1257-I1265 HydrophobicContact CD1-CG2 4Å; F1257-I1265 HydrophobicContact CE1-CG2 4.49Å; V1260-I1265 HydrophobicContact CG1-CG2 4.33Å; A1262-I1265 HydrophobicContact CB-CB 4.23Å; A1262-I1265 HydrophobicContact CB-CD1 3.94Å; A1262-I1265 HydrophobicContact CB-CG1 4.13Å; A1262-I1265 PolarHBondContact O-N 2.98Å; I1265-A1268 PolarHBondContact O-N 3.28Å; I1265-A1269 WeakPolarHBondContact O-CB 3.43Å; I1265-A1269 PolarHBondContact O-N 2.81Å |
| 1266 | R | 84.8 | Confident | 81.7 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.038 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 177.3 | -179 | 165.8 | 69 | -111.2 | 4.8 | 111.9 | C1258 V1260 D1261 A1262 L1263 A1268 A1269 L1270 H1330 | C1258-R1266 WeakPolarHBondContact O-CD 3.49Å; C1258-R1266 WeakPolarHBondContact O-CG 3.45Å; V1260-R1266 PolarHBondContact O-NH1 2.83Å; D1261-R1266 PolarHBondContact O-NH1 2.65Å; A1262-R1266 WeakPolarHBondContact O-CB 3.45Å; A1262-R1266 PolarHBondContact O-N 2.85Å; L1263-R1266 PolarHBondContact O-N 3.09Å; R1266-A1268 PolarHBondContact O-N 3.08Å; R1266-A1269 PolarHBondContact O-N 3.16Å; R1266-L1270 HydrophobicContact CG-CD1 3.67Å; R1266-L1270 HydrophobicContact CG-CG 4.29Å; R1266-L1270 WeakPolarHBondContact O-CB 3.32Å; R1266-L1270 WeakPolarHBondContact O-CD1 3.36Å; R1266-L1270 WeakPolarHBondContact O-CG 3.5Å; R1266-L1270 PolarHBondContact O-N 2.81Å; R1266-H1330 PolarHBondContact NE-ND1 3.21Å |
| 1267 | K | 84.4 | Confident | 81.6 | Confident | 96 Ų | 96 | 34.1 Ų | 34.1 | 42% | 0.417 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -54.5 | -50.2 | 174.3 | -78.3 | 161.8 | 171.2 | 168.4 | 0 | 111.7 | L1263 E1264 L1270 T1271 | L1263-K1267 HydrophobicContact CD1-CG 4.46Å; L1263-K1267 HydrophobicContact CG-CD 4.14Å; L1263-K1267 WeakPolarHBondContact O-CB 3.45Å; L1263-K1267 VanDerWaalsContact O-CG 3.27Å; L1263-K1267 WeakPolarHBondContact O-CG 3.41Å; L1263-K1267 PolarHBondContact O-N 3.03Å; E1264-K1267 PolarHBondContact O-N 2.79Å; E1264-K1267 IonicContact OE1-NZ 3.33Å; E1264-K1267 PolarHBondContact OE1-NZ 3.37Å; E1264-K1267 VanDerWaalsContact OE2-CD 3.3Å; E1264-K1267 WeakPolarHBondContact OE2-CD 3.44Å; E1264-K1267 IonicContact OE2-NZ 2.62Å; E1264-K1267 PolarHBondContact OE2-NZ 3.32Å; K1267-L1270 PolarHBondContact O-N 3.3Å; K1267-T1271 PolarHBondContact O-N 3.06Å; K1267-T1271 PolarHBondContact O-OG1 2.86Å |
| 1268 | A | 84 | Confident | 81.3 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1228 T1229 F1232 E1264 I1265 R1266 T1271 A1272 | A1228-A1268 HydrophobicContact CB-CB 4.14Å; T1229-A1268 HydrophobicContact CG2-CB 4.05Å; F1232-A1268 HydrophobicContact CD2-CB 3.63Å; F1232-A1268 HydrophobicContact CE2-CB 4.14Å; E1264-A1268 WeakPolarHBondContact O-CB 3.18Å; E1264-A1268 PolarHBondContact O-N 3.46Å; I1265-A1268 PolarHBondContact O-N 3.28Å; R1266-A1268 PolarHBondContact O-N 3.08Å; A1268-T1271 PolarHBondContact O-N 3.19Å; A1268-A1272 PolarHBondContact O-N 2.64Å; A1268-A1272 VanDerWaalsContact O-N 3.08Å |
| 1269 | A | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | F1232 F1257 I1265 R1266 T1273 | F1232-A1269 HydrophobicContact CD1-CB 4.23Å; F1232-A1269 HydrophobicContact CD2-CB 4.12Å; F1232-A1269 HydrophobicContact CE1-CB 3.94Å; F1232-A1269 HydrophobicContact CE2-CB 3.82Å; F1232-A1269 HydrophobicContact CG-CB 4.33Å; F1232-A1269 HydrophobicContact CZ-CB 3.75Å; F1257-A1269 HydrophobicContact CB-CB 3.87Å; I1265-A1269 WeakPolarHBondContact O-CB 3.43Å; I1265-A1269 PolarHBondContact O-N 2.81Å; R1266-A1269 PolarHBondContact O-N 3.16Å; A1269-T1273 WeakPolarHBondContact O-CB 3.31Å; A1269-T1273 PolarHBondContact O-N 3.19Å; A1269-T1273 PolarHBondContact O-OG1 3.11Å |
| 1270 | L | 84.9 | Confident | 80.7 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.2 | -71.7 | 165.3 | 0 | 0 | 0 | 112 | C1258 R1266 K1267 T1273 R1274 H1330 L1331 | C1258-L1270 HydrophobicContact CB-CD2 4.1Å; R1266-L1270 HydrophobicContact CG-CD1 3.67Å; R1266-L1270 HydrophobicContact CG-CG 4.29Å; R1266-L1270 WeakPolarHBondContact O-CB 3.32Å; R1266-L1270 WeakPolarHBondContact O-CD1 3.36Å; R1266-L1270 WeakPolarHBondContact O-CG 3.5Å; R1266-L1270 PolarHBondContact O-N 2.81Å; K1267-L1270 PolarHBondContact O-N 3.3Å; L1270-T1273 PolarHBondContact O-N 3.24Å; L1270-R1274 WeakPolarHBondContact O-CB 3.35Å; L1270-R1274 VanDerWaalsContact O-CG 3.27Å; L1270-R1274 WeakPolarHBondContact O-CG 3.33Å; L1270-R1274 PolarHBondContact O-N 3.01Å; L1270-H1330 HydrophobicContact CD1-CB 3.75Å; L1270-H1330 HydrophobicContact CD2-CB 4.31Å; L1270-L1331 HydrophobicContact CD2-CB 3.83Å; L1270-L1331 HydrophobicContact CD2-CD1 4.04Å |
| 1271 | T | 85.3 | Confident | 80.5 | Confident | 75 Ų | 75 | 42.7 Ų | 42.7 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.9 | -53.9 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | K1267 A1268 T1273 R1274 E1275 | K1267-T1271 PolarHBondContact O-N 3.06Å; K1267-T1271 PolarHBondContact O-OG1 2.86Å; A1268-T1271 PolarHBondContact O-N 3.19Å; T1271-T1273 VanDerWaalsContact C-N 3.27Å; T1271-T1273 PolarHBondContact O-N 3.48Å; T1271-R1274 PolarHBondContact O-N 3.27Å; T1271-E1275 HydrophobicContact CG2-CG 4.42Å; T1271-E1275 WeakPolarHBondContact CG2-OE1 3.37Å; T1271-E1275 WeakPolarHBondContact O-CG 3.32Å; T1271-E1275 PolarHBondContact O-N 2.9Å |
| 1272 | A | 82.6 | Confident | 80.8 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -33.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1232 L1254 A1268 L1276 | F1232-A1272 HydrophobicContact CB-CB 3.67Å; L1254-A1272 HydrophobicContact CD1-CB 4.42Å; A1268-A1272 PolarHBondContact O-N 2.64Å; A1268-A1272 VanDerWaalsContact O-N 3.08Å; A1272-L1276 VanDerWaalsContact O-CB 3.27Å; A1272-L1276 WeakPolarHBondContact O-CB 3.35Å; A1272-L1276 PolarHBondContact O-N 2.87Å |
| 1273 | T | 85.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.5 | -41.1 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 112 | L1254 L1255 C1258 A1269 L1270 T1271 L1276 A1277 I1287 L1331 | L1254-T1273 WeakPolarHBondContact CG-OG1 3.38Å; L1255-T1273 HydrophobicContact CD2-CG2 4.05Å; C1258-T1273 PolarHBondContact SG-OG1 3.03Å; A1269-T1273 WeakPolarHBondContact O-CB 3.31Å; A1269-T1273 PolarHBondContact O-N 3.19Å; A1269-T1273 PolarHBondContact O-OG1 3.11Å; L1270-T1273 PolarHBondContact O-N 3.24Å; T1271-T1273 VanDerWaalsContact C-N 3.27Å; T1271-T1273 PolarHBondContact O-N 3.48Å; T1273-L1276 PolarHBondContact O-N 3.23Å; T1273-A1277 PolarHBondContact O-N 3.4Å; T1273-I1287 HydrophobicContact CG2-CD1 4.11Å; T1273-I1287 HydrophobicContact CG2-CG1 4.3Å; T1273-I1287 HydrophobicContact CG2-CG2 3.8Å; T1273-L1331 HydrophobicContact CG2-CD1 3.69Å |
| 1274 | R | 83.6 | Confident | 80.8 | Confident | 92 Ų | 92 | 46 Ų | 46 | 35% | 0.347 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 174.1 | -73 | 178.5 | -161.9 | -158.1 | 5.4 | 111.1 | L1270 T1271 A1277 S1278 G1334 Q1338 | L1270-R1274 WeakPolarHBondContact O-CB 3.35Å; L1270-R1274 VanDerWaalsContact O-CG 3.27Å; L1270-R1274 WeakPolarHBondContact O-CG 3.33Å; L1270-R1274 PolarHBondContact O-N 3.01Å; T1271-R1274 PolarHBondContact O-N 3.27Å; R1274-A1277 PolarHBondContact O-N 2.84Å; R1274-S1278 PolarHBondContact O-N 2.9Å; R1274-S1278 VanDerWaalsContact O-N 3.08Å; R1274-G1334 WeakPolarHBondContact CD-O 3.42Å; R1274-G1334 PolarHBondContact NE-O 3.45Å; R1274-Q1338 PolarHBondContact O-OE1 3.31Å |
| 1275 | E | 80.7 | Confident | 80.8 | Confident | 72 Ų | 72 | 46.5 Ų | 46.5 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.8 | -34.8 | 178 | -66.6 | 173.2 | 171.1 | 0 | 0 | 112.9 | R1236 T1271 S1278 S1279 | R1236-E1275 IonicContact CZ-OE2 2.94Å; R1236-E1275 IonicContact NH1-OE2 3.16Å; R1236-E1275 PolarHBondContact NH1-OE2 3.1Å; T1271-E1275 HydrophobicContact CG2-CG 4.42Å; T1271-E1275 WeakPolarHBondContact CG2-OE1 3.37Å; T1271-E1275 WeakPolarHBondContact O-CG 3.32Å; T1271-E1275 PolarHBondContact O-N 2.9Å; E1275-S1278 WeakPolarHBondContact CA-OG 3.17Å; E1275-S1278 PolarHBondContact O-N 3.36Å; E1275-S1278 PolarHBondContact O-OG 3.07Å; E1275-S1279 WeakPolarHBondContact O-CB 3.39Å; E1275-S1279 PolarHBondContact O-N 3Å; E1275-S1279 PolarHBondContact O-OG 2.92Å |
| 1276 | L | 81.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 174.1 | -179 | 63.6 | 0 | 0 | 0 | 111.2 | R1236 I1239 E1240 L1251 L1254 A1272 T1273 S1279 W1283 I1287 | R1236-L1276 HydrophobicContact CG-CB 4.38Å; R1236-L1276 HydrophobicContact CG-CD1 4.34Å; I1239-L1276 HydrophobicContact CD1-CD2 3.84Å; I1239-L1276 HydrophobicContact CG2-CD1 4.13Å; I1239-L1276 HydrophobicContact CG2-CD2 4.12Å; E1240-L1276 HydrophobicContact CG-CD1 4.01Å; L1251-L1276 HydrophobicContact CD1-CD2 3.71Å; L1254-L1276 HydrophobicContact CD2-CD2 3.87Å; A1272-L1276 VanDerWaalsContact O-CB 3.27Å; A1272-L1276 WeakPolarHBondContact O-CB 3.35Å; A1272-L1276 PolarHBondContact O-N 2.87Å; T1273-L1276 PolarHBondContact O-N 3.23Å; L1276-S1279 PolarHBondContact O-N 2.84Å; L1276-W1283 VanDerWaalsContact CD1-CD1 3.49Å; L1276-W1283 HydrophobicContact CD1-CG 4.13Å; L1276-W1283 HydrophobicContact CG-CB 4.23Å; L1276-W1283 HydrophobicContact CG-CG 4.09Å; L1276-I1287 HydrophobicContact CD2-CD1 4.24Å; L1276-I1287 HydrophobicContact CG-CD1 4.3Å |
| 1277 | A | 80.4 | Confident | 80.6 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T1273 R1274 S1279 I1287 L1335 | T1273-A1277 PolarHBondContact O-N 3.4Å; R1274-A1277 PolarHBondContact O-N 2.84Å; A1277-S1279 PolarHBondContact O-N 3.46Å; A1277-I1287 HydrophobicContact CB-CD1 4.05Å; A1277-L1335 HydrophobicContact CB-CD2 4.16Å |
| 1278 | S | 76.1 | Confident | 80.5 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 49% | 0.49 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.4 | 175.7 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | R1274 E1275 | R1274-S1278 PolarHBondContact O-N 2.9Å; R1274-S1278 VanDerWaalsContact O-N 3.08Å; E1275-S1278 WeakPolarHBondContact CA-OG 3.17Å; E1275-S1278 PolarHBondContact O-N 3.36Å; E1275-S1278 PolarHBondContact O-OG 3.07Å |
| 1279 | S | 73 | Confident | 80.6 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -34.2 | -172.4 | -65.7 | 0 | 0 | 0 | 0 | 115 | R1020 F1021 R1236 E1275 L1276 A1277 | R1020-S1279 PolarHBondContact NH1-O 2.98Å; F1021-S1279 VanDerWaalsContact CE2-OG 3.3Å; F1021-S1279 WeakPolarHBondContact CE2-OG 3.15Å; F1021-S1279 WeakPolarHBondContact CZ-OG 3.3Å; R1236-S1279 PolarHBondContact NH2-OG 2.71Å; E1275-S1279 WeakPolarHBondContact O-CB 3.39Å; E1275-S1279 PolarHBondContact O-N 3Å; E1275-S1279 PolarHBondContact O-OG 2.92Å; L1276-S1279 PolarHBondContact O-N 2.84Å; A1277-S1279 PolarHBondContact O-N 3.46Å |
| 1280 | D | 71.7 | Confident | 80.4 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.16 | 26% | 0.262 | C | S | . | . | trans | -154.9 | 123.5 | 176.6 | -163.6 | -65.3 | 0 | 0 | 0 | 110.4 | R1020 R1282 W1283 | R1020-D1280 IonicContact CZ-OD2 3.94Å; R1020-D1280 IonicContact NH1-OD2 3.9Å; R1020-D1280 PolarHBondContact NH1-OD2 3.35Å; R1020-D1280 IonicContact NH2-OD2 3.16Å; R1020-D1280 PolarHBondContact NH2-OD2 2.82Å; R1020-D1280 VanDerWaalsContact NH2-OD2 3.1Å; D1280-R1282 PolarHBondContact O-N 3.14Å; D1280-R1282 WeakPolarHBondContact OD1-CB 3.39Å; D1280-R1282 WeakPolarHBondContact OD1-CD 3.4Å; D1280-R1282 VanDerWaalsContact OD1-CG 3.22Å; D1280-R1282 WeakPolarHBondContact OD1-CG 3.42Å; D1280-R1282 PolarHBondContact OD1-N 2.92Å; D1280-R1282 VanDerWaalsContact OD1-N 3.15Å; D1280-R1282 IonicContact OD1-NE 2.72Å; D1280-W1283 PolarHBondContact O-N 3.14Å; D1280-W1283 VanDerWaalsContact O-N 3.1Å | ||
| 1281 | P | 73.9 | Confident | 80.4 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.4 | -24.4 | -177.1 | -29 | 35.8 | 0 | 0 | 0 | 115 | W1283 Q1284 | P1281-W1283 PolarHBondContact O-N 3.33Å; P1281-W1283 VanDerWaalsContact O-N 3.14Å; P1281-Q1284 VanDerWaalsContact O-CB 3.24Å; P1281-Q1284 WeakPolarHBondContact O-CB 3.13Å; P1281-Q1284 PolarHBondContact O-N 2.94Å |
| 1282 | R | 76.2 | Confident | 80.4 | Confident | 176 Ų | 176 | 49 Ų | 49 | 66% | 0.664 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.1 | -24.6 | 179.5 | -64.3 | 169.5 | -178.2 | -165.7 | -0.1 | 113.6 | D1280 H1286 | D1280-R1282 PolarHBondContact O-N 3.14Å; D1280-R1282 WeakPolarHBondContact OD1-CB 3.39Å; D1280-R1282 WeakPolarHBondContact OD1-CD 3.4Å; D1280-R1282 VanDerWaalsContact OD1-CG 3.22Å; D1280-R1282 WeakPolarHBondContact OD1-CG 3.42Å; D1280-R1282 PolarHBondContact OD1-N 2.92Å; D1280-R1282 VanDerWaalsContact OD1-N 3.15Å; D1280-R1282 IonicContact OD1-NE 2.72Å; R1282-H1286 PolarHBondContact O-ND1 3.07Å |
| 1283 | W | 76.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 54 Ų | 54 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -85.2 | -25.1 | 175.3 | -57.4 | 127.4 | 0 | 0 | 0 | 112.9 | I1239 R1247 L1251 L1276 D1280 P1281 H1286 I1287 | I1239-W1283 HydrophobicContact CG2-CD2 4.21Å; I1239-W1283 HydrophobicContact CG2-CH2 4.18Å; I1239-W1283 HydrophobicContact CG2-CZ2 3.7Å; R1247-W1283 HydrophobicContact CB-CH2 3.69Å; R1247-W1283 HydrophobicContact CB-CZ2 4.45Å; R1247-W1283 HydrophobicContact CB-CZ3 4.38Å; R1247-W1283 VanDerWaalsContact CD-CH2 3.43Å; R1247-W1283 HydrophobicContact CG-CH2 4.19Å; L1251-W1283 HydrophobicContact CD2-CE3 3.81Å; L1251-W1283 HydrophobicContact CD2-CZ3 4.17Å; L1276-W1283 VanDerWaalsContact CD1-CD1 3.49Å; L1276-W1283 HydrophobicContact CD1-CG 4.13Å; L1276-W1283 HydrophobicContact CG-CB 4.23Å; L1276-W1283 HydrophobicContact CG-CG 4.09Å; D1280-W1283 PolarHBondContact O-N 3.14Å; D1280-W1283 VanDerWaalsContact O-N 3.1Å; P1281-W1283 PolarHBondContact O-N 3.33Å; P1281-W1283 VanDerWaalsContact O-N 3.14Å; W1283-H1286 PolarHBondContact O-N 3.1Å; W1283-I1287 HydrophobicContact CB-CD1 3.84Å; W1283-I1287 WeakPolarHBondContact O-CB 3.49Å; W1283-I1287 WeakPolarHBondContact O-CD1 3.44Å; W1283-I1287 WeakPolarHBondContact O-CG1 3.3Å; W1283-I1287 PolarHBondContact O-N 3.37Å |
| 1284 | Q | 80.6 | Confident | 80.2 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -56.1 | -176.9 | -171.8 | 176.2 | -14.5 | 0 | 0 | 111 | P1281 H1286 I1287 E1288 | P1281-Q1284 VanDerWaalsContact O-CB 3.24Å; P1281-Q1284 WeakPolarHBondContact O-CB 3.13Å; P1281-Q1284 PolarHBondContact O-N 2.94Å; Q1284-H1286 PolarHBondContact O-N 3.16Å; Q1284-H1286 VanDerWaalsContact O-N 3.14Å; Q1284-I1287 PolarHBondContact O-N 3.17Å; Q1284-I1287 VanDerWaalsContact O-N 3.14Å; Q1284-E1288 HydrophobicContact CG-CG 4.2Å; Q1284-E1288 WeakPolarHBondContact CG-OE1 3.22Å; Q1284-E1288 PolarHBondContact NE2-OE1 3.44Å; Q1284-E1288 WeakPolarHBondContact O-CB 3.24Å; Q1284-E1288 WeakPolarHBondContact O-CG 3.36Å; Q1284-E1288 PolarHBondContact O-N 3.01Å |
| 1285 | D | 80.2 | Confident | 80.2 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 59% | 0.594 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -51.3 | -42.2 | 179.6 | -52.1 | -26 | 0 | 0 | 0 | 113 | M1289 | D1285-M1289 VanDerWaalsContact O-CB 3.25Å; D1285-M1289 WeakPolarHBondContact O-CB 3.43Å; D1285-M1289 PolarHBondContact O-N 3.23Å |
| 1286 | H | 80.1 | Confident | 80.3 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 39% | 0.394 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.1 | -41.4 | -177.7 | -66.1 | 87.3 | 0 | 0 | 0 | 112.4 | L1251 R1282 W1283 Q1284 F1290 | L1251-H1286 HydrophobicContact CD2-CB 3.79Å; R1282-H1286 PolarHBondContact O-ND1 3.07Å; W1283-H1286 PolarHBondContact O-N 3.1Å; Q1284-H1286 PolarHBondContact O-N 3.16Å; Q1284-H1286 VanDerWaalsContact O-N 3.14Å; H1286-F1290 PolarHBondContact O-N 3.01Å; H1286-F1290 VanDerWaalsContact O-N 3.1Å |
| 1287 | I | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 177.4 | -69.7 | 167.9 | 0 | 0 | 0 | 110.1 | L1251 L1255 T1273 L1276 A1277 W1283 Q1284 F1290 A1291 L1335 | L1251-I1287 HydrophobicContact CD1-CD1 4.25Å; L1251-I1287 HydrophobicContact CD1-CG1 3.97Å; L1255-I1287 HydrophobicContact CD2-CB 4.45Å; L1255-I1287 HydrophobicContact CD2-CG1 4.2Å; L1255-I1287 HydrophobicContact CD2-CG2 4.24Å; T1273-I1287 HydrophobicContact CG2-CD1 4.11Å; T1273-I1287 HydrophobicContact CG2-CG1 4.3Å; T1273-I1287 HydrophobicContact CG2-CG2 3.8Å; L1276-I1287 HydrophobicContact CD2-CD1 4.24Å; L1276-I1287 HydrophobicContact CG-CD1 4.3Å; A1277-I1287 HydrophobicContact CB-CD1 4.05Å; W1283-I1287 HydrophobicContact CB-CD1 3.84Å; W1283-I1287 WeakPolarHBondContact O-CB 3.49Å; W1283-I1287 WeakPolarHBondContact O-CD1 3.44Å; W1283-I1287 WeakPolarHBondContact O-CG1 3.3Å; W1283-I1287 PolarHBondContact O-N 3.37Å; Q1284-I1287 PolarHBondContact O-N 3.17Å; Q1284-I1287 VanDerWaalsContact O-N 3.14Å; I1287-F1290 PolarHBondContact O-N 3.12Å; I1287-A1291 WeakPolarHBondContact O-CB 3.44Å; I1287-A1291 PolarHBondContact O-N 3.15Å; I1287-L1335 HydrophobicContact CG2-CD1 3.65Å; I1287-L1335 HydrophobicContact CG2-CD2 3.96Å; I1287-L1335 HydrophobicContact CG2-CG 4.45Å |
| 1288 | E | 83.8 | Confident | 80.3 | Confident | 37 Ų | 37 | 52 Ų | 52 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -48.3 | 176.2 | -72.3 | -175 | -171.9 | 0 | 0 | 111.4 | Q1284 F1290 A1291 V1292 S1339 L1342 | Q1284-E1288 HydrophobicContact CG-CG 4.2Å; Q1284-E1288 WeakPolarHBondContact CG-OE1 3.22Å; Q1284-E1288 PolarHBondContact NE2-OE1 3.44Å; Q1284-E1288 WeakPolarHBondContact O-CB 3.24Å; Q1284-E1288 WeakPolarHBondContact O-CG 3.36Å; Q1284-E1288 PolarHBondContact O-N 3.01Å; E1288-F1290 VanDerWaalsContact C-N 3.3Å; E1288-F1290 PolarHBondContact O-N 2.98Å; E1288-A1291 PolarHBondContact O-N 2.97Å; E1288-A1291 VanDerWaalsContact O-N 3.11Å; E1288-V1292 VanDerWaalsContact O-CG2 3.29Å; E1288-V1292 WeakPolarHBondContact O-CG2 3.44Å; E1288-V1292 PolarHBondContact O-N 2.72Å; E1288-S1339 WeakPolarHBondContact OE1-CB 3.31Å; E1288-S1339 PolarHBondContact OE1-OG 2.88Å; E1288-L1342 HydrophobicContact CB-CD2 4.13Å; E1288-L1342 HydrophobicContact CG-CD1 4.25Å; E1288-L1342 HydrophobicContact CG-CD2 4.03Å |
| 1289 | M | 84.8 | Confident | 80.5 | Confident | 104 Ų | 104 | 51.4 Ų | 51.4 | 51% | 0.512 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.4 | -42.7 | 175.5 | 177.6 | 170.1 | 53.9 | 0 | 0 | 112.2 | D1285 Q1293 | D1285-M1289 VanDerWaalsContact O-CB 3.25Å; D1285-M1289 WeakPolarHBondContact O-CB 3.43Å; D1285-M1289 PolarHBondContact O-N 3.23Å; M1289-Q1293 VanDerWaalsContact O-CG 3.27Å; M1289-Q1293 WeakPolarHBondContact O-CG 3.21Å; M1289-Q1293 PolarHBondContact O-N 3.24Å |
| 1290 | F | 82.9 | Confident | 80.7 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 175 | -177.8 | -86.4 | 0 | 0 | 0 | 112.4 | L1255 H1256 H1286 I1287 E1288 V1292 Q1293 M1294 L1331 | L1255-F1290 HydrophobicContact CB-CD1 3.74Å; L1255-F1290 HydrophobicContact CB-CD2 4.15Å; L1255-F1290 HydrophobicContact CB-CE1 3.67Å; L1255-F1290 HydrophobicContact CB-CE2 4.09Å; L1255-F1290 HydrophobicContact CB-CG 3.97Å; L1255-F1290 HydrophobicContact CB-CZ 3.86Å; L1255-F1290 HydrophobicContact CD1-CB 3.78Å; L1255-F1290 HydrophobicContact CD1-CD1 4.24Å; L1255-F1290 HydrophobicContact CD1-CD2 4.16Å; L1255-F1290 HydrophobicContact CD1-CG 3.81Å; L1255-F1290 HydrophobicContact CD2-CB 4.28Å; L1255-F1290 HydrophobicContact CD2-CD1 3.78Å; L1255-F1290 HydrophobicContact CD2-CE1 4.39Å; L1255-F1290 HydrophobicContact CD2-CG 4.15Å; L1255-F1290 HydrophobicContact CG-CD1 4.13Å; L1255-F1290 HydrophobicContact CG-CG 4.21Å; L1255-F1290 WeakPolarHBondContact O-CE1 3.28Å; H1256-F1290 AromaticContact CE1-CE2 3.94Å; H1256-F1290 AromaticContact NE2-CE2 3.86Å; H1286-F1290 PolarHBondContact O-N 3.01Å; H1286-F1290 VanDerWaalsContact O-N 3.1Å; I1287-F1290 PolarHBondContact O-N 3.12Å; E1288-F1290 VanDerWaalsContact C-N 3.3Å; E1288-F1290 PolarHBondContact O-N 2.98Å; F1290-V1292 VanDerWaalsContact C-N 3.3Å; F1290-V1292 PolarHBondContact O-N 3.14Å; F1290-Q1293 PolarHBondContact O-N 3.1Å; F1290-M1294 HydrophobicContact CD1-CG 3.85Å; F1290-M1294 HydrophobicContact CE1-CG 3.35Å; F1290-M1294 HydrophobicContact CE1-SD 4.35Å; F1290-M1294 HydrophobicContact CE2-CG 4.36Å; F1290-M1294 HydrophobicContact CZ-CG 3.64Å; F1290-M1294 HydrophobicContact CZ-SD 4.06Å; F1290-M1294 PolarHBondContact O-N 3.25Å; F1290-L1331 HydrophobicContact CD1-CD2 3.91Å; F1290-L1331 HydrophobicContact CE1-CD2 4.29Å |
| 1291 | A | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1287 E1288 L1295 L1331 F1332 L1335 | I1287-A1291 WeakPolarHBondContact O-CB 3.44Å; I1287-A1291 PolarHBondContact O-N 3.15Å; E1288-A1291 PolarHBondContact O-N 2.97Å; E1288-A1291 VanDerWaalsContact O-N 3.11Å; A1291-L1295 WeakPolarHBondContact O-CB 3.46Å; A1291-L1295 PolarHBondContact O-N 2.81Å; A1291-L1331 HydrophobicContact CB-CD2 4.08Å; A1291-L1331 HydrophobicContact CB-CG 4.04Å; A1291-F1332 HydrophobicContact CB-CB 4.15Å; A1291-F1332 HydrophobicContact CB-CD2 4.27Å; A1291-L1335 HydrophobicContact CB-CD1 3.77Å |
| 1292 | V | 84.3 | Confident | 80.1 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 174 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | E1288 F1290 M1294 L1295 K1296 F1332 L1342 | E1288-V1292 VanDerWaalsContact O-CG2 3.29Å; E1288-V1292 WeakPolarHBondContact O-CG2 3.44Å; E1288-V1292 PolarHBondContact O-N 2.72Å; F1290-V1292 VanDerWaalsContact C-N 3.3Å; F1290-V1292 PolarHBondContact O-N 3.14Å; V1292-M1294 PolarHBondContact O-N 3.48Å; V1292-L1295 PolarHBondContact O-N 3.32Å; V1292-K1296 HydrophobicContact CG1-CD 4.31Å; V1292-K1296 HydrophobicContact CG1-CG 4.49Å; V1292-K1296 WeakPolarHBondContact O-CB 3.28Å; V1292-K1296 WeakPolarHBondContact O-CG 2.86Å; V1292-K1296 PolarHBondContact O-N 2.94Å; V1292-F1332 HydrophobicContact CG2-CD2 4.41Å; V1292-F1332 HydrophobicContact CG2-CE2 4.12Å; V1292-L1342 HydrophobicContact CG2-CD2 4.4Å |
| 1293 | Q | 83.9 | Confident | 79.7 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.1 | -73.7 | 173.6 | 15.7 | 0 | 0 | 111.8 | M1289 F1290 K1296 K1297 | M1289-Q1293 VanDerWaalsContact O-CG 3.27Å; M1289-Q1293 WeakPolarHBondContact O-CG 3.21Å; M1289-Q1293 PolarHBondContact O-N 3.24Å; F1290-Q1293 PolarHBondContact O-N 3.1Å; Q1293-K1296 PolarHBondContact O-N 3.09Å; Q1293-K1297 PolarHBondContact O-N 3.48Å |
| 1294 | M | 80.7 | Confident | 79.3 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 175.1 | -74.4 | -54.6 | -52.6 | 0 | 0 | 113 | F1290 V1292 K1297 I1307 | F1290-M1294 HydrophobicContact CD1-CG 3.85Å; F1290-M1294 HydrophobicContact CE1-CG 3.35Å; F1290-M1294 HydrophobicContact CE1-SD 4.35Å; F1290-M1294 HydrophobicContact CE2-CG 4.36Å; F1290-M1294 HydrophobicContact CZ-CG 3.64Å; F1290-M1294 HydrophobicContact CZ-SD 4.06Å; F1290-M1294 PolarHBondContact O-N 3.25Å; V1292-M1294 PolarHBondContact O-N 3.48Å; M1294-K1297 HydrophobicContact CE-CD 4Å; M1294-K1297 PolarHBondContact O-N 3.48Å; M1294-K1297 HydrophobicContact SD-CD 3.72Å; M1294-K1297 PolarHBondContact SD-NZ 3.44Å; M1294-I1307 HydrophobicContact CE-CB 4.46Å; M1294-I1307 HydrophobicContact CE-CG1 4.38Å; M1294-I1307 HydrophobicContact CE-CG2 4.05Å |
| 1295 | L | 83.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 171.8 | -163 | 77.4 | 0 | 0 | 0 | 110.8 | A1291 V1292 K1297 L1298 A1329 F1332 L1346 V1349 L1361 | A1291-L1295 WeakPolarHBondContact O-CB 3.46Å; A1291-L1295 PolarHBondContact O-N 2.81Å; V1292-L1295 PolarHBondContact O-N 3.32Å; L1295-K1297 VanDerWaalsContact C-N 3.3Å; L1295-K1297 PolarHBondContact O-N 2.94Å; L1295-L1298 HydrophobicContact CD1-CD1 3.94Å; L1295-L1298 WeakPolarHBondContact O-CB 3.2Å; L1295-L1298 WeakPolarHBondContact O-CG 3.35Å; L1295-L1298 PolarHBondContact O-N 3.46Å; L1295-A1329 HydrophobicContact CD1-CB 4.37Å; L1295-F1332 HydrophobicContact CB-CD2 4.34Å; L1295-F1332 HydrophobicContact CB-CG 4.48Å; L1295-F1332 HydrophobicContact CD1-CB 4.34Å; L1295-F1332 HydrophobicContact CD1-CD1 4.26Å; L1295-F1332 HydrophobicContact CD1-CG 4.21Å; L1295-F1332 HydrophobicContact CD2-CD1 4Å; L1295-F1332 HydrophobicContact CD2-CD2 3.93Å; L1295-F1332 HydrophobicContact CD2-CE1 3.95Å; L1295-F1332 HydrophobicContact CD2-CE2 3.84Å; L1295-F1332 HydrophobicContact CD2-CG 4Å; L1295-F1332 HydrophobicContact CD2-CZ 3.85Å; L1295-F1332 HydrophobicContact CG-CG 4.46Å; L1295-L1346 HydrophobicContact CD2-CD1 4.07Å; L1295-V1349 HydrophobicContact CD2-CB 4.02Å; L1295-V1349 HydrophobicContact CD2-CG1 4.39Å; L1295-V1349 HydrophobicContact CD2-CG2 3.92Å; L1295-V1349 HydrophobicContact CG-CB 4.28Å; L1295-V1349 HydrophobicContact CG-CG1 4.11Å; L1295-V1349 HydrophobicContact CG-CG2 4.18Å; L1295-L1361 HydrophobicContact CD1-CD2 4.5Å |
| 1296 | K | 84.5 | Confident | 77.5 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.8 | -23.4 | 176.5 | -70.1 | -169.2 | -175.1 | -155.4 | 0 | 113.5 | V1292 Q1293 L1298 L1299 E1348 V1349 | V1292-K1296 HydrophobicContact CG1-CD 4.31Å; V1292-K1296 HydrophobicContact CG1-CG 4.49Å; V1292-K1296 WeakPolarHBondContact O-CB 3.28Å; V1292-K1296 WeakPolarHBondContact O-CG 2.86Å; V1292-K1296 PolarHBondContact O-N 2.94Å; Q1293-K1296 PolarHBondContact O-N 3.09Å; K1296-L1298 PolarHBondContact O-N 3.48Å; K1296-L1299 WeakPolarHBondContact O-CB 3.32Å; K1296-L1299 WeakPolarHBondContact O-CG 3.4Å; K1296-L1299 PolarHBondContact O-N 2.98Å; K1296-E1348 WeakPolarHBondContact CE-OE2 3.38Å; K1296-E1348 IonicContact NZ-OE1 3.67Å; K1296-E1348 PolarHBondContact NZ-OE1 3.41Å; K1296-E1348 IonicContact NZ-OE2 3.14Å; K1296-E1348 PolarHBondContact NZ-OE2 3.32Å; K1296-V1349 HydrophobicContact CG-CG2 3.7Å |
| 1297 | K | 79.6 | Confident | 76.6 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -60.9 | -23.2 | 168.3 | -72.8 | -175.3 | -171.1 | 166.8 | 0 | 113 | Q1293 M1294 L1295 L1299 Q1300 D1306 I1307 W1320 | Q1293-K1297 PolarHBondContact O-N 3.48Å; M1294-K1297 HydrophobicContact CE-CD 4Å; M1294-K1297 PolarHBondContact O-N 3.48Å; M1294-K1297 HydrophobicContact SD-CD 3.72Å; M1294-K1297 PolarHBondContact SD-NZ 3.44Å; L1295-K1297 VanDerWaalsContact C-N 3.3Å; L1295-K1297 PolarHBondContact O-N 2.94Å; K1297-L1299 PolarHBondContact O-N 3.46Å; K1297-Q1300 WeakPolarHBondContact O-CB 3.45Å; K1297-Q1300 WeakPolarHBondContact O-CG 3.34Å; K1297-Q1300 PolarHBondContact O-N 2.83Å; K1297-Q1300 VanDerWaalsContact O-N 3.16Å; K1297-D1306 PolarHBondContact NZ-O 2.63Å; K1297-I1307 HydrophobicContact CB-CD1 4.41Å; K1297-I1307 HydrophobicContact CB-CG1 4.36Å; K1297-I1307 HydrophobicContact CD-CG1 3.74Å; K1297-W1320 WeakPolarHBondContact O-CZ2 3.25Å |
| 1298 | L | 80.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -64.8 | -13.6 | 172.9 | -66.2 | 172.3 | 0 | 0 | 0 | 113.8 | L1295 K1296 Q1300 W1320 C1325 C1328 I1357 L1361 | L1295-L1298 HydrophobicContact CD1-CD1 3.94Å; L1295-L1298 WeakPolarHBondContact O-CB 3.2Å; L1295-L1298 WeakPolarHBondContact O-CG 3.35Å; L1295-L1298 PolarHBondContact O-N 3.46Å; K1296-L1298 PolarHBondContact O-N 3.48Å; L1298-Q1300 VanDerWaalsContact C-N 3.27Å; L1298-W1320 HydrophobicContact CD2-CE3 3.98Å; L1298-W1320 HydrophobicContact CD2-CH2 3.88Å; L1298-W1320 HydrophobicContact CD2-CZ2 4.49Å; L1298-W1320 HydrophobicContact CD2-CZ3 3.62Å; L1298-C1325 HydrophobicContact CD2-CB 4.48Å; L1298-C1328 HydrophobicContact CD1-CB 4.26Å; L1298-C1328 HydrophobicContact CD2-CB 3.77Å; L1298-C1328 HydrophobicContact CG-CB 3.93Å; L1298-I1357 HydrophobicContact CB-CD1 4.24Å; L1298-I1357 HydrophobicContact CB-CG2 4.3Å; L1298-I1357 HydrophobicContact CD1-CG2 4.27Å; L1298-I1357 HydrophobicContact CD2-CD1 4.39Å; L1298-I1357 WeakPolarHBondContact O-CD1 3.37Å; L1298-L1361 HydrophobicContact CD1-CD2 4.43Å |
| 1299 | L | 81.4 | Confident | 74.5 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -78.7 | -10.4 | 175.5 | -57.8 | -179.4 | 0 | 0 | 0 | 112.9 | K1296 K1297 V1349 Q1352 A1353 | K1296-L1299 WeakPolarHBondContact O-CB 3.32Å; K1296-L1299 WeakPolarHBondContact O-CG 3.4Å; K1296-L1299 PolarHBondContact O-N 2.98Å; K1297-L1299 PolarHBondContact O-N 3.46Å; L1299-V1349 HydrophobicContact CD2-CG1 3.86Å; L1299-V1349 HydrophobicContact CG-CG1 4.21Å; L1299-Q1352 HydrophobicContact CD1-CB 4.2Å; L1299-Q1352 HydrophobicContact CD2-CB 3.52Å; L1299-Q1352 HydrophobicContact CG-CB 4.49Å; L1299-A1353 HydrophobicContact CD2-CB 4.47Å |
| 1300 | Q | 76.7 | Confident | 73.2 | Confident | 78 Ų | 78 | 51 Ų | 51 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -72.6 | 140.6 | 176.4 | -63 | -179.3 | -16.6 | 0 | 0 | 110.8 | K1297 L1298 R1302 S1304 W1320 | K1297-Q1300 WeakPolarHBondContact O-CB 3.45Å; K1297-Q1300 WeakPolarHBondContact O-CG 3.34Å; K1297-Q1300 PolarHBondContact O-N 2.83Å; K1297-Q1300 VanDerWaalsContact O-N 3.16Å; L1298-Q1300 VanDerWaalsContact C-N 3.27Å; Q1300-R1302 WeakPolarHBondContact CB-O 3.3Å; Q1300-R1302 PolarHBondContact O-N 3.23Å; Q1300-S1304 VanDerWaalsContact OE1-CB 3.28Å; Q1300-W1320 HydrophobicContact CB-CZ2 4.44Å; Q1300-W1320 PolarHBondContact O-NE1 3.25Å |
| 1301 | P | 68.6 | Low | 71.7 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 83% | 0.825 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68.5 | -18 | -176.1 | 27.3 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 1302 | R | 65.2 | Low | 70 | Confident | 187 Ų | 187 | 59.6 Ų | 59.6 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -139.7 | 151.7 | 172.7 | -64.8 | -179.7 | -177 | 160.6 | 2 | 108.3 | Q1300 S1304 | Q1300-R1302 WeakPolarHBondContact CB-O 3.3Å; Q1300-R1302 PolarHBondContact O-N 3.23Å; R1302-S1304 PolarHBondContact O-N 2.91Å |
| 1303 | P | 67.8 | Low | 68.2 | Low | 8 Ų | 8 | 67.5 Ų | 67.5 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | trans | -65.3 | 122.5 | 174.4 | 25.5 | -32.7 | 0 | 0 | 0 | 111.3 | I1307 F1308 I1316 P1317 W1320 | P1303-I1307 HydrophobicContact CB-CD1 3.86Å; P1303-F1308 HydrophobicContact CB-CE2 4.06Å; P1303-I1316 HydrophobicContact CG-CG2 4.5Å; P1303-P1317 HydrophobicContact CG-CG 4.23Å; P1303-P1317 WeakPolarHBondContact CG-O 3.1Å; P1303-W1320 HydrophobicContact CB-CD2 4.43Å; P1303-W1320 HydrophobicContact CB-CE3 4.16Å; P1303-W1320 HydrophobicContact CB-CH2 4.13Å; P1303-W1320 HydrophobicContact CB-CZ2 4.35Å; P1303-W1320 HydrophobicContact CB-CZ3 4Å | ||
| 1304 | S | 67.3 | Low | 66.5 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 15% | 0.147 | 36% | 0.355 | C | S | . | . | trans | -65 | 146.5 | 169.7 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | Q1300 R1302 D1306 I1307 | Q1300-S1304 VanDerWaalsContact OE1-CB 3.28Å; R1302-S1304 PolarHBondContact O-N 2.91Å; S1304-D1306 PolarHBondContact O-N 3.48Å; S1304-D1306 VanDerWaalsContact O-N 3.09Å; S1304-D1306 VanDerWaalsContact OG-CG 3.22Å; S1304-D1306 PolarHBondContact OG-N 2.91Å; S1304-D1306 PolarHBondContact OG-OD2 2.85Å; S1304-I1307 WeakPolarHBondContact O-CB 3.44Å; S1304-I1307 WeakPolarHBondContact O-CG1 3.11Å; S1304-I1307 PolarHBondContact O-N 2.89Å; S1304-I1307 VanDerWaalsContact O-N 3.11Å | ||
| 1305 | P | 61.5 | Low | 65.3 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -47.2 | -31.9 | 164.4 | -26.6 | 33.1 | 0 | 0 | 0 | 114.1 | I1307 F1308 I1316 | P1305-I1307 PolarHBondContact O-N 3.19Å; P1305-F1308 PolarHBondContact O-N 3.25Å; P1305-I1316 HydrophobicContact CB-CD1 4.44Å; P1305-I1316 HydrophobicContact CG-CD1 3.97Å |
| 1306 | D | 62.4 | Low | 64.1 | Low | 107 Ų | 107 | 73.8 Ų | 73.8 | 57% | 0.572 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -68 | 0.3 | -179.1 | -42.3 | -51.1 | 0 | 0 | 0 | 114.4 | K1297 S1304 | K1297-D1306 PolarHBondContact NZ-O 2.63Å; S1304-D1306 PolarHBondContact O-N 3.48Å; S1304-D1306 VanDerWaalsContact O-N 3.09Å; S1304-D1306 VanDerWaalsContact OG-CG 3.22Å; S1304-D1306 PolarHBondContact OG-N 2.91Å; S1304-D1306 PolarHBondContact OG-OD2 2.85Å |
| 1307 | I | 61.9 | Low | 63 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -88.2 | -31 | 173 | -63.1 | 167.1 | 0 | 0 | 0 | 110.5 | S1259 M1294 K1297 P1303 S1304 P1305 P1309 W1320 C1328 | S1259-I1307 WeakPolarHBondContact CB-O 3.42Å; S1259-I1307 PolarHBondContact OG-O 3.38Å; M1294-I1307 HydrophobicContact CE-CB 4.46Å; M1294-I1307 HydrophobicContact CE-CG1 4.38Å; M1294-I1307 HydrophobicContact CE-CG2 4.05Å; K1297-I1307 HydrophobicContact CB-CD1 4.41Å; K1297-I1307 HydrophobicContact CB-CG1 4.36Å; K1297-I1307 HydrophobicContact CD-CG1 3.74Å; P1303-I1307 HydrophobicContact CB-CD1 3.86Å; S1304-I1307 WeakPolarHBondContact O-CB 3.44Å; S1304-I1307 WeakPolarHBondContact O-CG1 3.11Å; S1304-I1307 PolarHBondContact O-N 2.89Å; S1304-I1307 VanDerWaalsContact O-N 3.11Å; P1305-I1307 PolarHBondContact O-N 3.19Å; I1307-P1309 VanDerWaalsContact O-CD 3.23Å; I1307-P1309 WeakPolarHBondContact O-CD 3.47Å; I1307-W1320 HydrophobicContact CD1-CH2 3.37Å; I1307-W1320 HydrophobicContact CD1-CZ2 4.29Å; I1307-W1320 HydrophobicContact CD1-CZ3 3.86Å; I1307-C1328 VanDerWaalsContact CG2-SG 3.59Å |
| 1308 | F | 62.9 | Low | 62.1 | Low | 13 Ų | 13 | 74.9 Ų | 74.9 | 6% | 0.057 | 41% | 0.413 | C | S | . | . | trans | -122.8 | 62.6 | -168.9 | -58 | -76.9 | 0 | 0 | 0 | 112.4 | D1261 P1303 P1305 F1310 L1311 A1324 A1327 | D1261-F1308 WeakPolarHBondContact OD1-CE1 3.38Å; P1303-F1308 HydrophobicContact CB-CE2 4.06Å; P1305-F1308 PolarHBondContact O-N 3.25Å; F1308-F1310 PolarHBondContact O-N 2.75Å; F1308-L1311 HydrophobicContact CB-CB 4.16Å; F1308-L1311 HydrophobicContact CB-CD1 3.67Å; F1308-L1311 HydrophobicContact CB-CG 3.87Å; F1308-L1311 HydrophobicContact CD1-CD1 4.09Å; F1308-L1311 HydrophobicContact CD2-CD1 4.42Å; F1308-L1311 HydrophobicContact CG-CD1 3.82Å; F1308-L1311 HydrophobicContact CG-CG 4.46Å; F1308-L1311 PolarHBondContact O-N 2.81Å; F1308-A1324 HydrophobicContact CZ-CB 3.88Å; F1308-A1327 HydrophobicContact CE1-CB 4.41Å | ||
| 1309 | P | 59.7 | Low | 61.6 | Low | 53 Ų | 53 | 78.1 Ų | 78.1 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 26.2 | -175.3 | 33.7 | -39 | 0 | 0 | 0 | 114.9 | K1219 H1256 I1307 | K1219-P1309 PolarHBondContact NZ-O 3.48Å; H1256-P1309 HydrophobicContact CB-CG 3.96Å; I1307-P1309 VanDerWaalsContact O-CD 3.23Å; I1307-P1309 WeakPolarHBondContact O-CD 3.47Å |
| 1310 | F | 57.3 | Low | 61.3 | Low | 60 Ų | 60 | 76.7 Ų | 76.7 | 26% | 0.263 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | -13 | 178.2 | -65.1 | -94.3 | 0 | 0 | 0 | 112.6 | K1219 H1256 F1257 V1260 F1308 | K1219-F1310 HydrophobicContact CD-CE1 4.06Å; K1219-F1310 VanDerWaalsContact CE-CZ 3.47Å; K1219-F1310 HydrophobicContact CG-CE1 3.81Å; K1219-F1310 HydrophobicContact CG-CZ 4.4Å; H1256-F1310 HydrophobicContact CB-CE2 4.18Å; H1256-F1310 WeakPolarHBondContact O-CE2 3.3Å; F1257-F1310 AromaticContact CD1-CE1 3.76Å; F1257-F1310 HydrophobicContact CD1-CE1 3.76Å; F1257-F1310 HydrophobicContact CD1-CE2 4.24Å; F1257-F1310 AromaticContact CD1-CZ 3.51Å; F1257-F1310 HydrophobicContact CD1-CZ 3.51Å; F1257-F1310 AromaticContact CD2-CZ 3.86Å; F1257-F1310 HydrophobicContact CD2-CZ 3.86Å; F1257-F1310 HydrophobicContact CE1-CD1 4.18Å; F1257-F1310 AromaticContact CE1-CE1 3.23Å; F1257-F1310 HydrophobicContact CE1-CE1 3.23Å; F1257-F1310 AromaticContact CE1-CZ 3.45Å; F1257-F1310 HydrophobicContact CE1-CZ 3.45Å; F1257-F1310 VanDerWaalsContact CE1-CZ 3.45Å; F1257-F1310 HydrophobicContact CE2-CE1 4.06Å; F1257-F1310 AromaticContact CE2-CZ 3.78Å; F1257-F1310 HydrophobicContact CE2-CZ 3.78Å; F1257-F1310 HydrophobicContact CG-CE1 4.38Å; F1257-F1310 HydrophobicContact CG-CE2 4.39Å; F1257-F1310 AromaticContact CG-CZ 3.73Å; F1257-F1310 HydrophobicContact CG-CZ 3.73Å; F1257-F1310 AromaticContact CZ-CE1 3.39Å; F1257-F1310 HydrophobicContact CZ-CE1 3.39Å; F1257-F1310 AromaticContact CZ-CZ 3.58Å; F1257-F1310 HydrophobicContact CZ-CZ 3.58Å; V1260-F1310 HydrophobicContact CG2-CB 4.31Å; V1260-F1310 HydrophobicContact CG2-CD1 4.39Å; V1260-F1310 HydrophobicContact CG2-CD2 3.4Å; V1260-F1310 HydrophobicContact CG2-CE2 3.67Å; V1260-F1310 HydrophobicContact CG2-CG 3.8Å; V1260-F1310 HydrophobicContact CG2-CZ 4.26Å; F1308-F1310 PolarHBondContact O-N 2.75Å |
| 1311 | L | 51.2 | Low | 61.4 | Low | 65 Ų | 65 | 75.2 Ų | 75.2 | 34% | 0.34 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -82.6 | 140.3 | 175.3 | -71.3 | -177.6 | 0 | 0 | 0 | 111 | F1308 | F1308-L1311 HydrophobicContact CB-CB 4.16Å; F1308-L1311 HydrophobicContact CB-CD1 3.67Å; F1308-L1311 HydrophobicContact CB-CG 3.87Å; F1308-L1311 HydrophobicContact CD1-CD1 4.09Å; F1308-L1311 HydrophobicContact CD2-CD1 4.42Å; F1308-L1311 HydrophobicContact CG-CD1 3.82Å; F1308-L1311 HydrophobicContact CG-CG 4.46Å; F1308-L1311 PolarHBondContact O-N 2.81Å |
| 1312 | N | 48.4 | Very low | 61.8 | Low | 133 Ų | 133 | 72 Ų | 72 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | trans | -68.6 | 146.6 | 161.3 | -77.9 | -26.1 | 0 | 0 | 0 | 109.2 | S1314 S1315 | N1312-S1314 PolarHBondContact O-N 3.16Å; N1312-S1315 PolarHBondContact O-N 3.16Å; N1312-S1315 PolarHBondContact O-OG 3.43Å | ||
| 1313 | Q | 47.1 | Very low | 62.2 | Low | 188 Ų | 188 | 68.2 Ų | 68.2 | 88% | 0.879 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -54.5 | -14.8 | -173.6 | -67.8 | 173.1 | -27.7 | 0 | 0 | 115.3 | S1315 | Q1313-S1315 VanDerWaalsContact C-N 3.33Å; Q1313-S1315 PolarHBondContact O-N 3.36Å |
| 1314 | S | 49.4 | Very low | 62.7 | Low | 115 Ų | 115 | 67.9 Ų | 67.9 | 80% | 0.804 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -83 | 10.8 | -178.2 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | N1312 | N1312-S1314 PolarHBondContact O-N 3.16Š|
| 1315 | S | 55.2 | Low | 63.3 | Low | 57 Ų | 57 | 67 Ų | 67 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -139 | 16.4 | -169.1 | 55.9 | 0 | 0 | 0 | 0 | 116.1 | N1312 Q1313 P1317 | N1312-S1315 PolarHBondContact O-N 3.16Å; N1312-S1315 PolarHBondContact O-OG 3.43Å; Q1313-S1315 VanDerWaalsContact C-N 3.33Å; Q1313-S1315 PolarHBondContact O-N 3.36Å; S1315-P1317 WeakPolarHBondContact O-CD 3.34Å |
| 1316 | I | 57.6 | Low | 64.3 | Low | 76 Ų | 76 | 65.8 Ų | 65.8 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | trans | -74.2 | 122.9 | 178.8 | -55.9 | 165.7 | 0 | 0 | 0 | 109.7 | P1303 P1305 | P1303-I1316 HydrophobicContact CG-CG2 4.5Å; P1305-I1316 HydrophobicContact CB-CD1 4.44Å; P1305-I1316 HydrophobicContact CG-CD1 3.97Å | ||
| 1317 | P | 61.8 | Low | 65 | Low | 39 Ų | 39 | 60.8 Ų | 60.8 | 25% | 0.253 | 34% | 0.342 | S | S | . | . | trans | -72.3 | 136.5 | 178.3 | 28.8 | -33.2 | 0 | 0 | 0 | 111.4 | P1303 S1315 S1319 T1321 | P1303-P1317 HydrophobicContact CG-CG 4.23Å; P1303-P1317 WeakPolarHBondContact CG-O 3.1Å; S1315-P1317 WeakPolarHBondContact O-CD 3.34Å; P1317-S1319 PolarHBondContact O-N 3.3Å; P1317-S1319 VanDerWaalsContact O-N 3.13Å; P1317-T1321 HydrophobicContact CB-CG2 4.08Å | ||
| 1318 | S | 61.2 | Low | 65.9 | Low | 107 Ų | 107 | 60.9 Ų | 60.9 | 75% | 0.748 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -67 | -13.2 | -176.7 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1319 | S | 68.3 | Low | 66.9 | Low | 70 Ų | 70 | 60.2 Ų | 60.2 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -147.5 | 153.3 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 109.6 | P1317 T1321 | P1317-S1319 PolarHBondContact O-N 3.3Å; P1317-S1319 VanDerWaalsContact O-N 3.13Å; S1319-T1321 PolarHBondContact O-N 2.88Å; S1319-T1321 VanDerWaalsContact O-N 3.11Å |
| 1320 | W | 75.5 | Confident | 68 | Low | 27 Ų | 27 | 60 Ų | 60 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | trans | -56.2 | 114.7 | 172.1 | -64 | 103 | 0 | 0 | 0 | 111.9 | K1297 L1298 Q1300 P1303 I1307 A1324 I1357 | K1297-W1320 WeakPolarHBondContact O-CZ2 3.25Å; L1298-W1320 HydrophobicContact CD2-CE3 3.98Å; L1298-W1320 HydrophobicContact CD2-CH2 3.88Å; L1298-W1320 HydrophobicContact CD2-CZ2 4.49Å; L1298-W1320 HydrophobicContact CD2-CZ3 3.62Å; Q1300-W1320 HydrophobicContact CB-CZ2 4.44Å; Q1300-W1320 PolarHBondContact O-NE1 3.25Å; P1303-W1320 HydrophobicContact CB-CD2 4.43Å; P1303-W1320 HydrophobicContact CB-CE3 4.16Å; P1303-W1320 HydrophobicContact CB-CH2 4.13Å; P1303-W1320 HydrophobicContact CB-CZ2 4.35Å; P1303-W1320 HydrophobicContact CB-CZ3 4Å; I1307-W1320 HydrophobicContact CD1-CH2 3.37Å; I1307-W1320 HydrophobicContact CD1-CZ2 4.29Å; I1307-W1320 HydrophobicContact CD1-CZ3 3.86Å; W1320-A1324 HydrophobicContact CE3-CB 4.23Å; W1320-I1357 HydrophobicContact CB-CD1 4.43Å; W1320-I1357 HydrophobicContact CB-CG1 4.38Å; W1320-I1357 HydrophobicContact CD2-CD1 4.14Å; W1320-I1357 HydrophobicContact CG-CD1 3.9Å; W1320-I1357 HydrophobicContact CG-CG1 4.36Å | ||
| 1321 | T | 78.2 | Confident | 69.2 | Low | 48 Ų | 48 | 57.4 Ų | 57.4 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | trans | -86.4 | 167.6 | 168.5 | 79.2 | 0 | 0 | 0 | 0 | 110.5 | P1317 S1319 E1323 A1324 C1325 | P1317-T1321 HydrophobicContact CB-CG2 4.08Å; S1319-T1321 PolarHBondContact O-N 2.88Å; S1319-T1321 VanDerWaalsContact O-N 3.11Å; T1321-E1323 WeakPolarHBondContact CB-OE2 3.43Å; T1321-E1323 PolarHBondContact O-N 3.06Å; T1321-E1323 PolarHBondContact OG1-N 3.23Å; T1321-E1323 PolarHBondContact OG1-OE2 3.38Å; T1321-A1324 PolarHBondContact O-N 3.18Å; T1321-A1324 PolarHBondContact OG1-N 2.93Å; T1321-A1324 VanDerWaalsContact OG1-N 3.13Å; T1321-C1325 WeakPolarHBondContact O-CB 3.44Å; T1321-C1325 PolarHBondContact O-N 3.25Å | ||
| 1322 | D | 77.8 | Confident | 70.7 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 32% | 0.316 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 174.4 | -88.5 | -2.7 | 0 | 0 | 0 | 111.1 | Q1326 R1363 | D1322-Q1326 WeakPolarHBondContact O-CB 3.16Å; D1322-Q1326 WeakPolarHBondContact O-CG 3.37Å; D1322-Q1326 PolarHBondContact O-N 2.9Å; D1322-Q1326 PolarHBondContact O-NE2 2.82Å; D1322-R1363 IonicContact OD1-CZ 3.52Å; D1322-R1363 IonicContact OD1-NH1 3.68Å; D1322-R1363 IonicContact OD1-NH2 2.64Å; D1322-R1363 PolarHBondContact OD1-NH2 3.29Å; D1322-R1363 IonicContact OD2-CZ 2.73Å; D1322-R1363 VanDerWaalsContact OD2-CZ 3.26Å; D1322-R1363 IonicContact OD2-NH1 2.95Å; D1322-R1363 PolarHBondContact OD2-NH1 2.78Å; D1322-R1363 IonicContact OD2-NH2 2.74Å; D1322-R1363 PolarHBondContact OD2-NH2 3.21Å |
| 1323 | E | 74.6 | Confident | 72.3 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 177.1 | -55.7 | 71.8 | -156.2 | 0 | 0 | 111.9 | T1321 Q1326 A1327 | T1321-E1323 WeakPolarHBondContact CB-OE2 3.43Å; T1321-E1323 PolarHBondContact O-N 3.06Å; T1321-E1323 PolarHBondContact OG1-N 3.23Å; T1321-E1323 PolarHBondContact OG1-OE2 3.38Å; E1323-Q1326 WeakPolarHBondContact O-CB 3.47Å; E1323-Q1326 PolarHBondContact O-N 3.06Å; E1323-A1327 WeakPolarHBondContact O-CB 3.32Å; E1323-A1327 PolarHBondContact O-N 3.36Å |
| 1324 | A | 76.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1308 W1320 T1321 Q1326 A1327 C1328 | F1308-A1324 HydrophobicContact CZ-CB 3.88Å; W1320-A1324 HydrophobicContact CE3-CB 4.23Å; T1321-A1324 PolarHBondContact O-N 3.18Å; T1321-A1324 PolarHBondContact OG1-N 2.93Å; T1321-A1324 VanDerWaalsContact OG1-N 3.13Å; A1324-Q1326 VanDerWaalsContact C-N 3.33Å; A1324-A1327 PolarHBondContact O-N 3.11Å; A1324-C1328 PolarHBondContact O-N 3.39Å |
| 1325 | C | 81 | Confident | 75.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 174.7 | -170.9 | 0 | 0 | 0 | 0 | 111.4 | L1298 T1321 A1329 C1360 | L1298-C1325 HydrophobicContact CD2-CB 4.48Å; T1321-C1325 WeakPolarHBondContact O-CB 3.44Å; T1321-C1325 PolarHBondContact O-N 3.25Å; C1325-A1329 VanDerWaalsContact O-CB 3.32Å; C1325-A1329 WeakPolarHBondContact O-CB 3.49Å; C1325-A1329 PolarHBondContact O-N 3Å; C1325-C1360 HydrophobicContact CB-CB 4.14Å |
| 1326 | Q | 81.6 | Confident | 76.7 | Confident | 54 Ų | 54 | 31.4 Ų | 31.4 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 172.8 | -85.9 | 172.3 | 51.2 | 0 | 0 | 112.3 | D1322 E1323 A1324 C1328 A1329 H1330 M1364 | D1322-Q1326 WeakPolarHBondContact O-CB 3.16Å; D1322-Q1326 WeakPolarHBondContact O-CG 3.37Å; D1322-Q1326 PolarHBondContact O-N 2.9Å; D1322-Q1326 PolarHBondContact O-NE2 2.82Å; E1323-Q1326 WeakPolarHBondContact O-CB 3.47Å; E1323-Q1326 PolarHBondContact O-N 3.06Å; A1324-Q1326 VanDerWaalsContact C-N 3.33Å; Q1326-C1328 VanDerWaalsContact C-N 3.33Å; Q1326-C1328 PolarHBondContact O-N 3.14Å; Q1326-A1329 PolarHBondContact O-N 3.31Å; Q1326-H1330 VanDerWaalsContact O-CB 3.32Å; Q1326-H1330 WeakPolarHBondContact O-CB 3.47Å; Q1326-H1330 PolarHBondContact O-N 2.83Å; Q1326-H1330 PolarHBondContact O-ND1 2.86Å; Q1326-M1364 HydrophobicContact CB-CE 4.1Å; Q1326-M1364 HydrophobicContact CB-SD 4.31Å; Q1326-M1364 HydrophobicContact CG-CE 3.74Å; Q1326-M1364 HydrophobicContact CG-CG 4.44Å; Q1326-M1364 HydrophobicContact CG-SD 3.66Å |
| 1327 | A | 78.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1308 E1323 A1324 | F1308-A1327 HydrophobicContact CE1-CB 4.41Å; E1323-A1327 WeakPolarHBondContact O-CB 3.32Å; E1323-A1327 PolarHBondContact O-N 3.36Å; A1324-A1327 PolarHBondContact O-N 3.11Å |
| 1328 | C | 80.2 | Confident | 78.1 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.2 | -41.5 | 174.6 | -62.3 | 0 | 0 | 0 | 0 | 113.1 | L1298 I1307 A1324 Q1326 | L1298-C1328 HydrophobicContact CD1-CB 4.26Å; L1298-C1328 HydrophobicContact CD2-CB 3.77Å; L1298-C1328 HydrophobicContact CG-CB 3.93Å; I1307-C1328 VanDerWaalsContact CG2-SG 3.59Å; A1324-C1328 PolarHBondContact O-N 3.39Å; Q1326-C1328 VanDerWaalsContact C-N 3.33Å; Q1326-C1328 PolarHBondContact O-N 3.14Å |
| 1329 | A | 82.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -84.6 | -25.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1295 C1325 Q1326 L1331 F1332 L1333 L1361 M1364 | L1295-A1329 HydrophobicContact CD1-CB 4.37Å; C1325-A1329 VanDerWaalsContact O-CB 3.32Å; C1325-A1329 WeakPolarHBondContact O-CB 3.49Å; C1325-A1329 PolarHBondContact O-N 3Å; Q1326-A1329 PolarHBondContact O-N 3.31Å; A1329-L1331 VanDerWaalsContact C-N 3.33Å; A1329-L1331 PolarHBondContact O-N 3.34Å; A1329-F1332 PolarHBondContact O-N 2.89Å; A1329-L1333 HydrophobicContact CB-CD1 3.87Å; A1329-L1333 HydrophobicContact CB-CG 4.41Å; A1329-L1333 WeakPolarHBondContact O-CB 3.15Å; A1329-L1333 VanDerWaalsContact O-CG 3.31Å; A1329-L1333 WeakPolarHBondContact O-CG 3.33Å; A1329-L1333 PolarHBondContact O-N 3.12Å; A1329-L1361 HydrophobicContact CB-CD2 4.01Å; A1329-M1364 HydrophobicContact CB-CE 4.04Å; A1329-M1364 HydrophobicContact CB-SD 4.02Å |
| 1330 | H | 83.2 | Confident | 79 | Confident | 48 Ų | 48 | 25.5 Ų | 25.5 | 22% | 0.222 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -32.7 | -172.2 | -88.6 | 126.1 | 0 | 0 | 0 | 115 | R1266 L1270 Q1326 G1334 | R1266-H1330 PolarHBondContact NE-ND1 3.21Å; L1270-H1330 HydrophobicContact CD1-CB 3.75Å; L1270-H1330 HydrophobicContact CD2-CB 4.31Å; Q1326-H1330 VanDerWaalsContact O-CB 3.32Å; Q1326-H1330 WeakPolarHBondContact O-CB 3.47Å; Q1326-H1330 PolarHBondContact O-N 2.83Å; Q1326-H1330 PolarHBondContact O-ND1 2.86Å; H1330-G1334 PolarHBondContact O-N 2.98Å; H1330-G1334 VanDerWaalsContact O-N 3.11Å |
| 1331 | L | 82.3 | Confident | 79 | Confident | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -55.6 | 176.6 | 176.3 | 60.1 | 0 | 0 | 0 | 110.4 | L1255 C1258 L1270 T1273 F1290 A1291 A1329 L1333 G1334 L1335 | L1255-L1331 HydrophobicContact CD2-CD2 3.74Å; C1258-L1331 HydrophobicContact CB-CB 4.21Å; C1258-L1331 HydrophobicContact CB-CD2 4.3Å; L1270-L1331 HydrophobicContact CD2-CB 3.83Å; L1270-L1331 HydrophobicContact CD2-CD1 4.04Å; T1273-L1331 HydrophobicContact CG2-CD1 3.69Å; F1290-L1331 HydrophobicContact CD1-CD2 3.91Å; F1290-L1331 HydrophobicContact CE1-CD2 4.29Å; A1291-L1331 HydrophobicContact CB-CD2 4.08Å; A1291-L1331 HydrophobicContact CB-CG 4.04Å; A1329-L1331 VanDerWaalsContact C-N 3.33Å; A1329-L1331 PolarHBondContact O-N 3.34Å; L1331-L1333 PolarHBondContact O-N 3.05Å; L1331-G1334 CarbonylContact O-C 3.58Å; L1331-G1334 WeakPolarHBondContact O-CA 3.2Å; L1331-G1334 PolarHBondContact O-N 3Å; L1331-L1335 HydrophobicContact CD1-CD1 3.93Å; L1331-L1335 HydrophobicContact CD1-CG 4.31Å; L1331-L1335 HydrophobicContact CG-CD1 3.99Å; L1331-L1335 WeakPolarHBondContact O-CG 3.48Å; L1331-L1335 PolarHBondContact O-N 3.18Å; L1331-L1335 VanDerWaalsContact O-N 3.12Å |
| 1332 | F | 84.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.7 | -52.6 | 178.7 | -179 | -82.7 | 0 | 0 | 0 | 111.7 | A1291 V1292 L1295 A1329 G1334 L1335 M1336 L1342 Q1345 L1346 | A1291-F1332 HydrophobicContact CB-CB 4.15Å; A1291-F1332 HydrophobicContact CB-CD2 4.27Å; V1292-F1332 HydrophobicContact CG2-CD2 4.41Å; V1292-F1332 HydrophobicContact CG2-CE2 4.12Å; L1295-F1332 HydrophobicContact CB-CD2 4.34Å; L1295-F1332 HydrophobicContact CB-CG 4.48Å; L1295-F1332 HydrophobicContact CD1-CB 4.34Å; L1295-F1332 HydrophobicContact CD1-CD1 4.26Å; L1295-F1332 HydrophobicContact CD1-CG 4.21Å; L1295-F1332 HydrophobicContact CD2-CD1 4Å; L1295-F1332 HydrophobicContact CD2-CD2 3.93Å; L1295-F1332 HydrophobicContact CD2-CE1 3.95Å; L1295-F1332 HydrophobicContact CD2-CE2 3.84Å; L1295-F1332 HydrophobicContact CD2-CG 4Å; L1295-F1332 HydrophobicContact CD2-CZ 3.85Å; L1295-F1332 HydrophobicContact CG-CG 4.46Å; A1329-F1332 PolarHBondContact O-N 2.89Å; F1332-G1334 PolarHBondContact O-N 3.18Å; F1332-L1335 PolarHBondContact O-N 2.6Å; F1332-M1336 HydrophobicContact CD1-CG 4.23Å; F1332-M1336 HydrophobicContact CD1-SD 4.2Å; F1332-M1336 HydrophobicContact CE1-CG 3.94Å; F1332-M1336 HydrophobicContact CE1-SD 3.64Å; F1332-M1336 WeakPolarHBondContact O-CG 3.27Å; F1332-M1336 PolarHBondContact O-N 2.81Å; F1332-L1342 HydrophobicContact CE2-CB 4.07Å; F1332-L1342 HydrophobicContact CE2-CD2 4.32Å; F1332-L1342 HydrophobicContact CZ-CB 3.9Å; F1332-L1342 WeakPolarHBondContact CZ-O 3.37Å; F1332-Q1345 HydrophobicContact CE2-CB 4.4Å; F1332-Q1345 HydrophobicContact CZ-CB 4.47Å; F1332-L1346 HydrophobicContact CD1-CD1 4.45Å; F1332-L1346 HydrophobicContact CE1-CB 3.72Å; F1332-L1346 HydrophobicContact CE1-CD1 3.97Å; F1332-L1346 HydrophobicContact CE1-CD2 4.42Å; F1332-L1346 HydrophobicContact CE1-CG 4.23Å; F1332-L1346 HydrophobicContact CZ-CB 3.92Å |
| 1333 | L | 82.3 | Confident | 79.2 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.2 | -21.4 | 178.2 | -67.2 | 174.5 | 0 | 0 | 0 | 113.1 | A1329 L1331 M1336 L1346 M1364 V1365 P1368 | A1329-L1333 HydrophobicContact CB-CD1 3.87Å; A1329-L1333 HydrophobicContact CB-CG 4.41Å; A1329-L1333 WeakPolarHBondContact O-CB 3.15Å; A1329-L1333 VanDerWaalsContact O-CG 3.31Å; A1329-L1333 WeakPolarHBondContact O-CG 3.33Å; A1329-L1333 PolarHBondContact O-N 3.12Å; L1331-L1333 PolarHBondContact O-N 3.05Å; L1333-M1336 HydrophobicContact CD2-CE 3.49Å; L1333-M1336 VanDerWaalsContact CD2-CE 3.49Å; L1333-M1336 HydrophobicContact CD2-SD 3.92Å; L1333-L1346 HydrophobicContact CD2-CD2 4.23Å; L1333-M1364 HydrophobicContact CD1-CB 3.49Å; L1333-M1364 VanDerWaalsContact CD1-CB 3.49Å; L1333-M1364 HydrophobicContact CD1-CE 3.8Å; L1333-M1364 HydrophobicContact CD1-CG 4.43Å; L1333-M1364 HydrophobicContact CD1-SD 4.15Å; L1333-V1365 HydrophobicContact CD2-CG2 3.74Å; L1333-P1368 HydrophobicContact CB-CG 4.17Å; L1333-P1368 WeakPolarHBondContact O-CB 3.5Å; L1333-P1368 WeakPolarHBondContact O-CG 3.31Å |
| 1334 | G | 79.7 | Confident | 79.6 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -84.3 | -13.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1274 H1330 L1331 F1332 | R1274-G1334 WeakPolarHBondContact CD-O 3.42Å; R1274-G1334 PolarHBondContact NE-O 3.45Å; H1330-G1334 PolarHBondContact O-N 2.98Å; H1330-G1334 VanDerWaalsContact O-N 3.11Å; L1331-G1334 CarbonylContact O-C 3.58Å; L1331-G1334 WeakPolarHBondContact O-CA 3.2Å; L1331-G1334 PolarHBondContact O-N 3Å; F1332-G1334 PolarHBondContact O-N 3.18Å |
| 1335 | L | 81.7 | Confident | 79.8 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -95.8 | -29.3 | 176.8 | -66.7 | 162 | 0 | 0 | 0 | 111.9 | A1277 I1287 A1291 L1331 F1332 P1337 Q1338 S1339 L1342 | A1277-L1335 HydrophobicContact CB-CD2 4.16Å; I1287-L1335 HydrophobicContact CG2-CD1 3.65Å; I1287-L1335 HydrophobicContact CG2-CD2 3.96Å; I1287-L1335 HydrophobicContact CG2-CG 4.45Å; A1291-L1335 HydrophobicContact CB-CD1 3.77Å; L1331-L1335 HydrophobicContact CD1-CD1 3.93Å; L1331-L1335 HydrophobicContact CD1-CG 4.31Å; L1331-L1335 HydrophobicContact CG-CD1 3.99Å; L1331-L1335 WeakPolarHBondContact O-CG 3.48Å; L1331-L1335 PolarHBondContact O-N 3.18Å; L1331-L1335 VanDerWaalsContact O-N 3.12Å; F1332-L1335 PolarHBondContact O-N 2.6Å; L1335-P1337 VanDerWaalsContact C-CD 3.41Å; L1335-P1337 VanDerWaalsContact C-N 3.3Å; L1335-P1337 VanDerWaalsContact O-N 3.12Å; L1335-Q1338 WeakPolarHBondContact O-CA 3.41Å; L1335-Q1338 WeakPolarHBondContact O-CB 3.25Å; L1335-Q1338 PolarHBondContact O-N 3.43Å; L1335-S1339 PolarHBondContact O-N 3.49Å; L1335-S1339 PolarHBondContact O-OG 3.07Å; L1335-L1342 HydrophobicContact CB-CD1 3.75Å |
| 1336 | M | 80.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -35.7 | -179.1 | -53 | -167.9 | -49.9 | 0 | 0 | 115.5 | F1332 L1333 Q1338 S1339 P1340 L1342 M1343 L1346 P1368 I1372 | F1332-M1336 HydrophobicContact CD1-CG 4.23Å; F1332-M1336 HydrophobicContact CD1-SD 4.2Å; F1332-M1336 HydrophobicContact CE1-CG 3.94Å; F1332-M1336 HydrophobicContact CE1-SD 3.64Å; F1332-M1336 WeakPolarHBondContact O-CG 3.27Å; F1332-M1336 PolarHBondContact O-N 2.81Å; L1333-M1336 HydrophobicContact CD2-CE 3.49Å; L1333-M1336 VanDerWaalsContact CD2-CE 3.49Å; L1333-M1336 HydrophobicContact CD2-SD 3.92Å; M1336-Q1338 PolarHBondContact O-N 3.21Å; M1336-S1339 CarbonylContact O-C 3.54Å; M1336-P1340 WeakPolarHBondContact O-CA 3.45Å; M1336-L1342 HydrophobicContact CG-CB 4.49Å; M1336-M1343 HydrophobicContact SD-CG 4.39Å; M1336-L1346 HydrophobicContact CE-CD2 4.37Å; M1336-L1346 HydrophobicContact SD-CD2 3.82Å; M1336-P1368 HydrophobicContact CE-CB 3.58Å; M1336-P1368 HydrophobicContact CE-CG 4.15Å; M1336-I1372 HydrophobicContact CB-CD1 3.91Å |
| 1337 | P | 77.6 | Confident | 80 | Confident | 42 Ų | 42 | 19.3 Ų | 19.3 | 27% | 0.273 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -15.4 | 174.3 | -22.1 | 36 | 0 | 0 | 0 | 115 | L1335 P1368 D1371 I1372 | L1335-P1337 VanDerWaalsContact C-CD 3.41Å; L1335-P1337 VanDerWaalsContact C-N 3.3Å; L1335-P1337 VanDerWaalsContact O-N 3.12Å; P1337-P1368 HydrophobicContact CG-CB 4.04Å; P1337-D1371 HydrophobicContact CB-CB 3.87Å; P1337-D1371 HydrophobicContact CG-CB 3.99Å; P1337-I1372 HydrophobicContact CB-CG1 4.4Å |
| 1338 | Q | 72.7 | Confident | 80.3 | Confident | 84 Ų | 84 | 22.8 Ų | 22.8 | 39% | 0.393 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -36.5 | 177.2 | -61.1 | -178.6 | 79.7 | 0 | 0 | 111.7 | R1274 L1335 M1336 | R1274-Q1338 PolarHBondContact O-OE1 3.31Å; L1335-Q1338 WeakPolarHBondContact O-CA 3.41Å; L1335-Q1338 WeakPolarHBondContact O-CB 3.25Å; L1335-Q1338 PolarHBondContact O-N 3.43Å; M1336-Q1338 PolarHBondContact O-N 3.21Å |
| 1339 | S | 74.5 | Confident | 80.4 | Confident | 11 Ų | 11 | 22.7 Ų | 22.7 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | trans | -127.7 | 84.4 | 175.6 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | E1288 L1335 M1336 G1341 L1342 | E1288-S1339 WeakPolarHBondContact OE1-CB 3.31Å; E1288-S1339 PolarHBondContact OE1-OG 2.88Å; L1335-S1339 PolarHBondContact O-N 3.49Å; L1335-S1339 PolarHBondContact O-OG 3.07Å; M1336-S1339 CarbonylContact O-C 3.54Å; S1339-G1341 PolarHBondContact O-N 2.9Å; S1339-L1342 WeakPolarHBondContact O-CB 3.29Å; S1339-L1342 WeakPolarHBondContact O-CG 3.18Å; S1339-L1342 PolarHBondContact O-N 2.83Å; S1339-L1342 WeakPolarHBondContact OG-CD1 3.41Å | ||
| 1340 | P | 72.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 23.1 Ų | 23.1 | 20% | 0.201 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -63 | -21.4 | -178.2 | 19.4 | -28.8 | 0 | 0 | 0 | 114.5 | M1336 L1342 M1343 I1372 S1376 D1378 | M1336-P1340 WeakPolarHBondContact O-CA 3.45Å; P1340-L1342 PolarHBondContact O-N 3.24Å; P1340-L1342 VanDerWaalsContact O-N 3.1Å; P1340-M1343 HydrophobicContact CB-SD 4.31Å; P1340-M1343 VanDerWaalsContact O-CB 3.32Å; P1340-M1343 WeakPolarHBondContact O-CB 3.37Å; P1340-M1343 WeakPolarHBondContact O-CG 3.42Å; P1340-M1343 PolarHBondContact O-N 3.12Å; P1340-I1372 HydrophobicContact CB-CG2 4.36Å; P1340-S1376 WeakPolarHBondContact CB-OG 3.44Å; P1340-D1378 HydrophobicContact CB-CB 4.16Å; P1340-D1378 WeakPolarHBondContact CG-OD2 3.38Å |
| 1341 | G | 75.8 | Confident | 80.6 | Confident | 38 Ų | 38 | 22.5 Ų | 22.5 | 39% | 0.392 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -55.6 | -24.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1339 M1343 D1378 | S1339-G1341 PolarHBondContact O-N 2.9Å; G1341-M1343 PolarHBondContact O-N 3.38Å; G1341-M1343 VanDerWaalsContact O-N 3.12Å; G1341-D1378 PolarHBondContact N-OD2 2.96Å |
| 1342 | L | 80.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -59 | -22.9 | 174.3 | -67.2 | 177.6 | 0 | 0 | 0 | 113.1 | E1288 V1292 F1332 L1335 M1336 S1339 P1340 H1344 Q1345 L1346 | E1288-L1342 HydrophobicContact CB-CD2 4.13Å; E1288-L1342 HydrophobicContact CG-CD1 4.25Å; E1288-L1342 HydrophobicContact CG-CD2 4.03Å; V1292-L1342 HydrophobicContact CG2-CD2 4.4Å; F1332-L1342 HydrophobicContact CE2-CB 4.07Å; F1332-L1342 HydrophobicContact CE2-CD2 4.32Å; F1332-L1342 HydrophobicContact CZ-CB 3.9Å; F1332-L1342 WeakPolarHBondContact CZ-O 3.37Å; L1335-L1342 HydrophobicContact CB-CD1 3.75Å; M1336-L1342 HydrophobicContact CG-CB 4.49Å; S1339-L1342 WeakPolarHBondContact O-CB 3.29Å; S1339-L1342 WeakPolarHBondContact O-CG 3.18Å; S1339-L1342 PolarHBondContact O-N 2.83Å; S1339-L1342 WeakPolarHBondContact OG-CD1 3.41Å; P1340-L1342 PolarHBondContact O-N 3.24Å; P1340-L1342 VanDerWaalsContact O-N 3.1Å; L1342-H1344 PolarHBondContact O-N 3.31Å; L1342-H1344 VanDerWaalsContact O-N 3.12Å; L1342-Q1345 VanDerWaalsContact CD2-OE1 3.26Å; L1342-Q1345 WeakPolarHBondContact O-CB 3.46Å; L1342-Q1345 PolarHBondContact O-N 3.46Å; L1342-L1346 PolarHBondContact O-N 2.87Å |
| 1343 | M | 80.6 | Confident | 80.6 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -30.4 | -174.2 | -68.1 | 172 | 66.6 | 0 | 0 | 113.6 | M1336 P1340 G1341 Q1345 L1346 A1347 I1372 L1379 L1382 M1397 | M1336-M1343 HydrophobicContact SD-CG 4.39Å; P1340-M1343 HydrophobicContact CB-SD 4.31Å; P1340-M1343 VanDerWaalsContact O-CB 3.32Å; P1340-M1343 WeakPolarHBondContact O-CB 3.37Å; P1340-M1343 WeakPolarHBondContact O-CG 3.42Å; P1340-M1343 PolarHBondContact O-N 3.12Å; G1341-M1343 PolarHBondContact O-N 3.38Å; G1341-M1343 VanDerWaalsContact O-N 3.12Å; M1343-Q1345 PolarHBondContact O-N 3.31Å; M1343-L1346 WeakPolarHBondContact O-CB 2.99Å; M1343-L1346 PolarHBondContact O-N 3.38Å; M1343-A1347 PolarHBondContact O-N 2.91Å; M1343-I1372 HydrophobicContact SD-CD1 3.94Å; M1343-I1372 HydrophobicContact SD-CG2 4.47Å; M1343-L1379 HydrophobicContact CE-CB 4.1Å; M1343-L1379 HydrophobicContact CE-CD1 3.65Å; M1343-L1382 HydrophobicContact CB-CD2 3.92Å; M1343-L1382 HydrophobicContact CE-CD2 4.48Å; M1343-M1397 HydrophobicContact CE-CE 4.14Å; M1343-M1397 HydrophobicContact CE-SD 3.49Å; M1343-M1397 WeakPolarHBondContact CE-SD 3.12Å |
| 1344 | H | 82.1 | Confident | 80.6 | Confident | 53 Ų | 53 | 30.1 Ų | 30.1 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 174.6 | -73.2 | -107.3 | 0 | 0 | 0 | 112.6 | L1342 A1347 E1348 L1382 E1385 | L1342-H1344 PolarHBondContact O-N 3.31Å; L1342-H1344 VanDerWaalsContact O-N 3.12Å; H1344-A1347 PolarHBondContact O-N 3.27Å; H1344-E1348 PolarHBondContact O-N 3.08Å; H1344-L1382 PolarHBondContact NE2-N 3.22Å; H1344-E1385 IonicContact CE1-OE2 3.3Å |
| 1345 | Q | 80.7 | Confident | 80.8 | Confident | 70 Ų | 70 | 33.8 Ų | 33.8 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -73.4 | -29.1 | 178.8 | -64 | 158.9 | -15.6 | 0 | 0 | 111.7 | F1332 L1342 M1343 A1347 E1348 V1349 | F1332-Q1345 HydrophobicContact CE2-CB 4.4Å; F1332-Q1345 HydrophobicContact CZ-CB 4.47Å; L1342-Q1345 VanDerWaalsContact CD2-OE1 3.26Å; L1342-Q1345 WeakPolarHBondContact O-CB 3.46Å; L1342-Q1345 PolarHBondContact O-N 3.46Å; M1343-Q1345 PolarHBondContact O-N 3.31Å; Q1345-A1347 VanDerWaalsContact C-N 3.32Å; Q1345-E1348 PolarHBondContact O-N 3.29Å; Q1345-V1349 PolarHBondContact O-N 3.13Å; Q1345-V1349 VanDerWaalsContact O-N 3.07Å |
| 1346 | L | 84.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 169.7 | -174.4 | 58.4 | 0 | 0 | 0 | 111 | L1295 F1332 L1333 M1336 L1342 M1343 Y1350 L1361 V1365 L1393 M1397 | L1295-L1346 HydrophobicContact CD2-CD1 4.07Å; F1332-L1346 HydrophobicContact CD1-CD1 4.45Å; F1332-L1346 HydrophobicContact CE1-CB 3.72Å; F1332-L1346 HydrophobicContact CE1-CD1 3.97Å; F1332-L1346 HydrophobicContact CE1-CD2 4.42Å; F1332-L1346 HydrophobicContact CE1-CG 4.23Å; F1332-L1346 HydrophobicContact CZ-CB 3.92Å; L1333-L1346 HydrophobicContact CD2-CD2 4.23Å; M1336-L1346 HydrophobicContact CE-CD2 4.37Å; M1336-L1346 HydrophobicContact SD-CD2 3.82Å; L1342-L1346 PolarHBondContact O-N 2.87Å; M1343-L1346 WeakPolarHBondContact O-CB 2.99Å; M1343-L1346 PolarHBondContact O-N 3.38Å; L1346-Y1350 WeakPolarHBondContact O-CB 3.37Å; L1346-Y1350 PolarHBondContact O-N 2.94Å; L1346-L1361 HydrophobicContact CD1-CD2 4.46Å; L1346-V1365 HydrophobicContact CD2-CG2 3.98Å; L1346-L1393 HydrophobicContact CD2-CD2 4.37Å; L1346-L1393 HydrophobicContact CG-CD2 4.17Å; L1346-M1397 HydrophobicContact CD2-CE 4.07Å |
| 1347 | A | 83 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1343 H1344 Q1345 V1349 Y1350 T1351 L1382 P1387 A1390 | M1343-A1347 PolarHBondContact O-N 2.91Å; H1344-A1347 PolarHBondContact O-N 3.27Å; Q1345-A1347 VanDerWaalsContact C-N 3.32Å; A1347-V1349 PolarHBondContact O-N 3.43Å; A1347-Y1350 PolarHBondContact O-N 2.85Å; A1347-T1351 WeakPolarHBondContact O-CG2 3.32Å; A1347-T1351 PolarHBondContact O-N 3.17Å; A1347-L1382 HydrophobicContact CB-CD1 3.73Å; A1347-L1382 HydrophobicContact CB-CD2 4.47Å; A1347-P1387 HydrophobicContact CB-CG 3.57Å; A1347-A1390 HydrophobicContact CB-CB 4.08Å |
| 1348 | E | 84.1 | Confident | 81.3 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 35% | 0.346 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 174.8 | -165 | -143.8 | 138.2 | 0 | 0 | 112.7 | K1296 H1344 Q1345 T1351 Q1352 | K1296-E1348 WeakPolarHBondContact CE-OE2 3.38Å; K1296-E1348 IonicContact NZ-OE1 3.67Å; K1296-E1348 PolarHBondContact NZ-OE1 3.41Å; K1296-E1348 IonicContact NZ-OE2 3.14Å; K1296-E1348 PolarHBondContact NZ-OE2 3.32Å; H1344-E1348 PolarHBondContact O-N 3.08Å; Q1345-E1348 PolarHBondContact O-N 3.29Å; E1348-T1351 PolarHBondContact O-OG1 3.19Å; E1348-T1351 VanDerWaalsContact O-OG1 3.09Å; E1348-Q1352 PolarHBondContact O-NE2 3.37Å |
| 1349 | V | 83 | Confident | 81.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.5 | -37 | 175.3 | 177 | 0 | 0 | 0 | 0 | 111.3 | L1295 K1296 L1299 Q1345 A1347 T1351 Q1352 A1353 | L1295-V1349 HydrophobicContact CD2-CB 4.02Å; L1295-V1349 HydrophobicContact CD2-CG1 4.39Å; L1295-V1349 HydrophobicContact CD2-CG2 3.92Å; L1295-V1349 HydrophobicContact CG-CB 4.28Å; L1295-V1349 HydrophobicContact CG-CG1 4.11Å; L1295-V1349 HydrophobicContact CG-CG2 4.18Å; K1296-V1349 HydrophobicContact CG-CG2 3.7Å; L1299-V1349 HydrophobicContact CD2-CG1 3.86Å; L1299-V1349 HydrophobicContact CG-CG1 4.21Å; Q1345-V1349 PolarHBondContact O-N 3.13Å; Q1345-V1349 VanDerWaalsContact O-N 3.07Å; A1347-V1349 PolarHBondContact O-N 3.43Å; V1349-T1351 PolarHBondContact O-N 3.42Å; V1349-Q1352 PolarHBondContact O-N 3.04Å; V1349-A1353 VanDerWaalsContact O-CB 3.31Å; V1349-A1353 WeakPolarHBondContact O-CB 3.31Å; V1349-A1353 PolarHBondContact O-N 2.83Å |
| 1350 | Y | 85.3 | Confident | 82.3 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | -179.1 | 178.6 | -92.8 | 0 | 0 | 0 | 112.3 | L1346 A1347 Q1352 K1358 L1361 L1362 G1389 A1390 T1392 L1393 | L1346-Y1350 WeakPolarHBondContact O-CB 3.37Å; L1346-Y1350 PolarHBondContact O-N 2.94Å; A1347-Y1350 PolarHBondContact O-N 2.85Å; Y1350-Q1352 PolarHBondContact O-N 3.39Å; Y1350-K1358 HydrophobicContact CD2-CG 4.1Å; Y1350-K1358 HydrophobicContact CE2-CB 3.82Å; Y1350-K1358 HydrophobicContact CE2-CG 3.76Å; Y1350-K1358 WeakPolarHBondContact O-CE 3.44Å; Y1350-L1361 HydrophobicContact CD2-CD1 4.28Å; Y1350-L1362 HydrophobicContact CE2-CD1 4.38Å; Y1350-L1362 HydrophobicContact CE2-CD2 4.29Å; Y1350-L1362 HydrophobicContact CE2-CG 3.98Å; Y1350-G1389 WeakPolarHBondContact CE1-O 3.33Å; Y1350-A1390 HydrophobicContact CD1-CB 4.35Å; Y1350-T1392 WeakPolarHBondContact CE1-OG1 3.41Å; Y1350-T1392 PolarHBondContact OH-OG1 3.21Å; Y1350-L1393 HydrophobicContact CD1-CB 3.83Å; Y1350-L1393 HydrophobicContact CD1-CD2 4.21Å; Y1350-L1393 HydrophobicContact CD2-CB 4.42Å; Y1350-L1393 HydrophobicContact CD2-CD2 4.33Å; Y1350-L1393 HydrophobicContact CE1-CB 3.77Å; Y1350-L1393 HydrophobicContact CE2-CB 4.37Å; Y1350-L1393 HydrophobicContact CG-CB 4.16Å; Y1350-L1393 HydrophobicContact CG-CD2 3.89Å |
| 1351 | T | 85.4 | Confident | 82.9 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 177 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | A1347 E1348 V1349 K1358 P1387 N1388 A1390 | A1347-T1351 WeakPolarHBondContact O-CG2 3.32Å; A1347-T1351 PolarHBondContact O-N 3.17Å; E1348-T1351 PolarHBondContact O-OG1 3.19Å; E1348-T1351 VanDerWaalsContact O-OG1 3.09Å; V1349-T1351 PolarHBondContact O-N 3.42Å; T1351-K1358 WeakPolarHBondContact O-CE 3.41Å; T1351-K1358 PolarHBondContact O-NZ 2.91Å; T1351-P1387 HydrophobicContact CG2-CB 4.09Å; T1351-P1387 HydrophobicContact CG2-CG 4.09Å; T1351-N1388 WeakPolarHBondContact CG2-O 3.46Å; T1351-A1390 HydrophobicContact CG2-CB 3.96Å |
| 1352 | Q | 82.6 | Confident | 83.3 | Confident | 116 Ų | 116 | 40.5 Ų | 40.5 | 54% | 0.542 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -78 | -22.8 | -177.3 | -65.1 | 173.4 | 74.3 | 0 | 0 | 114 | L1299 E1348 V1349 Y1350 | L1299-Q1352 HydrophobicContact CD1-CB 4.2Å; L1299-Q1352 HydrophobicContact CD2-CB 3.52Å; L1299-Q1352 HydrophobicContact CG-CB 4.49Å; E1348-Q1352 PolarHBondContact O-NE2 3.37Å; V1349-Q1352 PolarHBondContact O-N 3.04Å; Y1350-Q1352 PolarHBondContact O-N 3.39Å |
| 1353 | A | 83.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -64.2 | 152.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1299 V1349 I1357 K1358 | L1299-A1353 HydrophobicContact CD2-CB 4.47Å; V1349-A1353 VanDerWaalsContact O-CB 3.31Å; V1349-A1353 WeakPolarHBondContact O-CB 3.31Å; V1349-A1353 PolarHBondContact O-N 2.83Å; A1353-I1357 HydrophobicContact CB-CB 4.24Å; A1353-I1357 HydrophobicContact CB-CG2 3.83Å; A1353-K1358 HydrophobicContact CB-CG 4.08Å; A1353-K1358 WeakPolarHBondContact O-CD 3.28Å; A1353-K1358 WeakPolarHBondContact O-CE 3.36Å; A1353-K1358 PolarHBondContact O-NZ 3.35Å |
| 1354 | C | 83 | Confident | 83.5 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 37% | 0.365 | 23% | 0.232 | S | C | . | . | trans | -71.6 | 159.2 | 176.6 | 83.9 | 0 | 0 | 0 | 0 | 112.2 | N1356 I1357 K1358 | C1354-N1356 PolarHBondContact O-N 2.99Å; C1354-N1356 VanDerWaalsContact O-N 3.11Å; C1354-I1357 PolarHBondContact O-N 2.75Å; C1354-I1357 VanDerWaalsContact O-N 3.12Å; C1354-K1358 WeakPolarHBondContact O-CG 3.32Å; C1354-K1358 PolarHBondContact O-N 3.35Å | ||
| 1355 | P | 83.2 | Confident | 83.5 | Confident | 79 Ų | 79 | 45.7 Ų | 45.7 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -29.8 | -174.9 | -28 | 36.3 | 0 | 0 | 0 | 115.4 | R1359 | P1355-R1359 WeakPolarHBondContact O-CG 3.28Å; P1355-R1359 PolarHBondContact O-N 2.83Å; P1355-R1359 VanDerWaalsContact O-N 3.14Å; P1355-R1359 PolarHBondContact O-NH1 3.15Å |
| 1356 | N | 81.8 | Confident | 83.5 | Confident | 101 Ų | 101 | 44.5 Ų | 44.5 | 54% | 0.54 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -73.7 | -44.2 | 178.3 | -65.5 | -6.6 | 0 | 0 | 0 | 111.1 | C1354 R1359 C1360 | C1354-N1356 PolarHBondContact O-N 2.99Å; C1354-N1356 VanDerWaalsContact O-N 3.11Å; N1356-R1359 PolarHBondContact O-N 3.49Å; N1356-R1359 PolarHBondContact OD1-NH1 3.32Å; N1356-C1360 PolarHBondContact O-N 3.04Å |
| 1357 | I | 83.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.6 | -66.5 | 171.5 | 0 | 0 | 0 | 110.4 | L1298 W1320 A1353 C1354 R1359 C1360 L1361 | L1298-I1357 HydrophobicContact CB-CD1 4.24Å; L1298-I1357 HydrophobicContact CB-CG2 4.3Å; L1298-I1357 HydrophobicContact CD1-CG2 4.27Å; L1298-I1357 HydrophobicContact CD2-CD1 4.39Å; L1298-I1357 WeakPolarHBondContact O-CD1 3.37Å; W1320-I1357 HydrophobicContact CB-CD1 4.43Å; W1320-I1357 HydrophobicContact CB-CG1 4.38Å; W1320-I1357 HydrophobicContact CD2-CD1 4.14Å; W1320-I1357 HydrophobicContact CG-CD1 3.9Å; W1320-I1357 HydrophobicContact CG-CG1 4.36Å; A1353-I1357 HydrophobicContact CB-CB 4.24Å; A1353-I1357 HydrophobicContact CB-CG2 3.83Å; C1354-I1357 PolarHBondContact O-N 2.75Å; C1354-I1357 VanDerWaalsContact O-N 3.12Å; I1357-R1359 VanDerWaalsContact C-N 3.32Å; I1357-R1359 PolarHBondContact O-N 3.09Å; I1357-C1360 WeakPolarHBondContact O-CA 3.44Å; I1357-C1360 PolarHBondContact O-N 2.97Å; I1357-L1361 HydrophobicContact CG2-CD1 3.92Å; I1357-L1361 HydrophobicContact CG2-CG 4.15Å; I1357-L1361 WeakPolarHBondContact O-CG 3.4Å; I1357-L1361 PolarHBondContact O-N 2.65Å |
| 1358 | K | 84.8 | Confident | 82.9 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.8 | -46.7 | 172.2 | -75.6 | 171.5 | 166.8 | 149.6 | 0 | 112 | Y1350 T1351 A1353 C1354 C1360 L1362 | Y1350-K1358 HydrophobicContact CD2-CG 4.1Å; Y1350-K1358 HydrophobicContact CE2-CB 3.82Å; Y1350-K1358 HydrophobicContact CE2-CG 3.76Å; Y1350-K1358 WeakPolarHBondContact O-CE 3.44Å; T1351-K1358 WeakPolarHBondContact O-CE 3.41Å; T1351-K1358 PolarHBondContact O-NZ 2.91Å; A1353-K1358 HydrophobicContact CB-CG 4.08Å; A1353-K1358 WeakPolarHBondContact O-CD 3.28Å; A1353-K1358 WeakPolarHBondContact O-CE 3.36Å; A1353-K1358 PolarHBondContact O-NZ 3.35Å; C1354-K1358 WeakPolarHBondContact O-CG 3.32Å; C1354-K1358 PolarHBondContact O-N 3.35Å; K1358-C1360 VanDerWaalsContact C-N 3.34Å; K1358-C1360 PolarHBondContact O-N 3.33Å; K1358-L1362 WeakPolarHBondContact O-CB 3.21Å; K1358-L1362 VanDerWaalsContact O-CG 3.31Å; K1358-L1362 WeakPolarHBondContact O-CG 3.37Å; K1358-L1362 PolarHBondContact O-N 2.91Å |
| 1359 | R | 84.8 | Confident | 82.6 | Confident | 145 Ų | 145 | 47.8 Ų | 47.8 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.6 | -25.5 | 175.2 | -68.9 | -173.8 | -148 | 98.8 | -5.4 | 114.1 | P1355 N1356 I1357 R1363 | P1355-R1359 WeakPolarHBondContact O-CG 3.28Å; P1355-R1359 PolarHBondContact O-N 2.83Å; P1355-R1359 VanDerWaalsContact O-N 3.14Å; P1355-R1359 PolarHBondContact O-NH1 3.15Å; N1356-R1359 PolarHBondContact O-N 3.49Å; N1356-R1359 PolarHBondContact OD1-NH1 3.32Å; I1357-R1359 VanDerWaalsContact C-N 3.32Å; I1357-R1359 PolarHBondContact O-N 3.09Å; R1359-R1363 WeakPolarHBondContact O-CG 3.44Å; R1359-R1363 PolarHBondContact O-NE 2.8Å |
| 1360 | C | 83.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.1 | -50.2 | 173 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | C1325 N1356 I1357 K1358 L1362 R1363 M1364 | C1325-C1360 HydrophobicContact CB-CB 4.14Å; N1356-C1360 PolarHBondContact O-N 3.04Å; I1357-C1360 WeakPolarHBondContact O-CA 3.44Å; I1357-C1360 PolarHBondContact O-N 2.97Å; K1358-C1360 VanDerWaalsContact C-N 3.34Å; K1358-C1360 PolarHBondContact O-N 3.33Å; C1360-L1362 PolarHBondContact O-N 3.41Å; C1360-R1363 PolarHBondContact O-N 3.1Å; C1360-M1364 WeakPolarHBondContact O-CG 3.36Å; C1360-M1364 PolarHBondContact O-N 3.03Å; C1360-M1364 VanDerWaalsContact O-N 3.07Å |
| 1361 | L | 85.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.2 | -47.8 | 177.2 | -67.2 | 174.5 | 0 | 0 | 0 | 111.5 | L1295 L1298 A1329 L1346 Y1350 I1357 R1363 M1364 V1365 | L1295-L1361 HydrophobicContact CD1-CD2 4.5Å; L1298-L1361 HydrophobicContact CD1-CD2 4.43Å; A1329-L1361 HydrophobicContact CB-CD2 4.01Å; L1346-L1361 HydrophobicContact CD1-CD2 4.46Å; Y1350-L1361 HydrophobicContact CD2-CD1 4.28Å; I1357-L1361 HydrophobicContact CG2-CD1 3.92Å; I1357-L1361 HydrophobicContact CG2-CG 4.15Å; I1357-L1361 WeakPolarHBondContact O-CG 3.4Å; I1357-L1361 PolarHBondContact O-N 2.65Å; L1361-R1363 PolarHBondContact O-N 3.49Å; L1361-R1363 VanDerWaalsContact O-N 3.16Å; L1361-M1364 PolarHBondContact O-N 2.9Å; L1361-M1364 VanDerWaalsContact O-N 3.1Å; L1361-V1365 WeakPolarHBondContact O-CB 3.5Å; L1361-V1365 WeakPolarHBondContact O-CG2 3.44Å; L1361-V1365 PolarHBondContact O-N 3.3Å |
| 1362 | L | 84.3 | Confident | 81 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -27.5 | 176.4 | -74.8 | 172 | 0 | 0 | 0 | 114.3 | Y1350 K1358 C1360 L1393 R1396 | Y1350-L1362 HydrophobicContact CE2-CD1 4.38Å; Y1350-L1362 HydrophobicContact CE2-CD2 4.29Å; Y1350-L1362 HydrophobicContact CE2-CG 3.98Å; K1358-L1362 WeakPolarHBondContact O-CB 3.21Å; K1358-L1362 VanDerWaalsContact O-CG 3.31Å; K1358-L1362 WeakPolarHBondContact O-CG 3.37Å; K1358-L1362 PolarHBondContact O-N 2.91Å; C1360-L1362 PolarHBondContact O-N 3.41Å; L1362-L1393 HydrophobicContact CD2-CB 4.49Å; L1362-L1393 HydrophobicContact CD2-CD1 3.99Å; L1362-R1396 HydrophobicContact CD2-CB 4.03Å; L1362-R1396 HydrophobicContact CD2-CG 4.22Å |
| 1363 | R | 83.5 | Confident | 80.3 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -83.8 | -30.9 | 176.4 | -76 | 179 | -71.9 | 151.2 | 1.5 | 112.8 | D1322 R1359 C1360 L1361 | D1322-R1363 IonicContact OD1-CZ 3.52Å; D1322-R1363 IonicContact OD1-NH1 3.68Å; D1322-R1363 IonicContact OD1-NH2 2.64Å; D1322-R1363 PolarHBondContact OD1-NH2 3.29Å; D1322-R1363 IonicContact OD2-CZ 2.73Å; D1322-R1363 VanDerWaalsContact OD2-CZ 3.26Å; D1322-R1363 IonicContact OD2-NH1 2.95Å; D1322-R1363 PolarHBondContact OD2-NH1 2.78Å; D1322-R1363 IonicContact OD2-NH2 2.74Å; D1322-R1363 PolarHBondContact OD2-NH2 3.21Å; R1359-R1363 WeakPolarHBondContact O-CG 3.44Å; R1359-R1363 PolarHBondContact O-NE 2.8Å; C1360-R1363 PolarHBondContact O-N 3.1Å; L1361-R1363 PolarHBondContact O-N 3.49Å; L1361-R1363 VanDerWaalsContact O-N 3.16Å |
| 1364 | M | 80.4 | Confident | 79.7 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 16% | 0.163 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.6 | -24.4 | -178.8 | -63.3 | -179.6 | 71.1 | 0 | 0 | 113.5 | Q1326 A1329 L1333 C1360 L1361 D1366 P1368 | Q1326-M1364 HydrophobicContact CB-CE 4.1Å; Q1326-M1364 HydrophobicContact CB-SD 4.31Å; Q1326-M1364 HydrophobicContact CG-CE 3.74Å; Q1326-M1364 HydrophobicContact CG-CG 4.44Å; Q1326-M1364 HydrophobicContact CG-SD 3.66Å; A1329-M1364 HydrophobicContact CB-CE 4.04Å; A1329-M1364 HydrophobicContact CB-SD 4.02Å; L1333-M1364 HydrophobicContact CD1-CB 3.49Å; L1333-M1364 VanDerWaalsContact CD1-CB 3.49Å; L1333-M1364 HydrophobicContact CD1-CE 3.8Å; L1333-M1364 HydrophobicContact CD1-CG 4.43Å; L1333-M1364 HydrophobicContact CD1-SD 4.15Å; C1360-M1364 WeakPolarHBondContact O-CG 3.36Å; C1360-M1364 PolarHBondContact O-N 3.03Å; C1360-M1364 VanDerWaalsContact O-N 3.07Å; L1361-M1364 PolarHBondContact O-N 2.9Å; L1361-M1364 VanDerWaalsContact O-N 3.1Å; M1364-D1366 VanDerWaalsContact C-N 3.27Å; M1364-D1366 PolarHBondContact O-N 3.48Å; M1364-P1368 WeakPolarHBondContact O-CD 3.5Å |
| 1365 | V | 83.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.8 | -175.9 | 163.4 | 0 | 0 | 0 | 0 | 113.6 | L1333 L1346 L1361 L1367 I1369 L1393 I1400 | L1333-V1365 HydrophobicContact CD2-CG2 3.74Å; L1346-V1365 HydrophobicContact CD2-CG2 3.98Å; L1361-V1365 WeakPolarHBondContact O-CB 3.5Å; L1361-V1365 WeakPolarHBondContact O-CG2 3.44Å; L1361-V1365 PolarHBondContact O-N 3.3Å; V1365-L1367 VanDerWaalsContact C-N 3.3Å; V1365-L1367 PolarHBondContact O-N 3.07Å; V1365-I1369 HydrophobicContact CG1-CD1 3.25Å; V1365-I1369 HydrophobicContact CG1-CG1 3.82Å; V1365-L1393 HydrophobicContact CG1-CD1 4.36Å; V1365-I1400 HydrophobicContact CG1-CD1 4.47Å |
| 1366 | D | 80.1 | Confident | 78.1 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.6 | -177.8 | -87.5 | 8.9 | 0 | 0 | 0 | 115.7 | M1364 R1370 R1396 I1400 | M1364-D1366 VanDerWaalsContact C-N 3.27Å; M1364-D1366 PolarHBondContact O-N 3.48Å; D1366-R1370 WeakPolarHBondContact O-CD 2.98Å; D1366-R1370 WeakPolarHBondContact O-CG 3.48Å; D1366-R1370 PolarHBondContact O-NE 2.78Å; D1366-R1396 IonicContact OD1-CZ 2.61Å; D1366-R1396 VanDerWaalsContact OD1-CZ 3.24Å; D1366-R1396 IonicContact OD1-NE 2.98Å; D1366-R1396 PolarHBondContact OD1-NE 2.94Å; D1366-R1396 IonicContact OD1-NH2 3.8Å; D1366-R1396 PolarHBondContact OD1-NH2 3.16Å; D1366-R1396 IonicContact OD2-CZ 3.85Å; D1366-R1396 IonicContact OD2-NH2 3.25Å; D1366-R1396 PolarHBondContact OD2-NH2 3.43Å; D1366-I1400 WeakPolarHBondContact OD1-CD1 3.29Å |
| 1367 | L | 76.4 | Confident | 77.7 | Confident | 127 Ų | 127 | 49 Ų | 49 | 67% | 0.665 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -56.3 | 178.8 | -68.2 | 172.8 | 0 | 0 | 0 | 112.6 | V1365 I1369 R1370 D1371 | V1365-L1367 VanDerWaalsContact C-N 3.3Å; V1365-L1367 PolarHBondContact O-N 3.07Å; L1367-I1369 PolarHBondContact O-N 2.66Å; L1367-I1369 VanDerWaalsContact O-N 3.07Å; L1367-R1370 WeakPolarHBondContact O-CB 3.34Å; L1367-R1370 PolarHBondContact O-N 3.42Å; L1367-D1371 PolarHBondContact O-N 3.01Å |
| 1368 | P | 78.6 | Confident | 77.1 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.5 | -31.5 | -175.2 | -25.8 | 35.2 | 0 | 0 | 0 | 114.3 | L1333 M1336 P1337 M1364 R1370 D1371 I1372 | L1333-P1368 HydrophobicContact CB-CG 4.17Å; L1333-P1368 WeakPolarHBondContact O-CB 3.5Å; L1333-P1368 WeakPolarHBondContact O-CG 3.31Å; M1336-P1368 HydrophobicContact CE-CB 3.58Å; M1336-P1368 HydrophobicContact CE-CG 4.15Å; P1337-P1368 HydrophobicContact CG-CB 4.04Å; M1364-P1368 WeakPolarHBondContact O-CD 3.5Å; P1368-R1370 VanDerWaalsContact C-N 3.32Å; P1368-R1370 PolarHBondContact O-N 2.88Å; P1368-D1371 PolarHBondContact O-N 3.09Å; P1368-I1372 WeakPolarHBondContact O-CD1 3.41Å; P1368-I1372 VanDerWaalsContact O-CG1 3.3Å; P1368-I1372 WeakPolarHBondContact O-CG1 3.34Å; P1368-I1372 PolarHBondContact O-N 2.69Å; P1368-I1372 VanDerWaalsContact O-N 3.09Å |
| 1369 | I | 77.2 | Confident | 76.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.7 | -31 | 178.4 | -71.2 | -169.8 | 0 | 0 | 0 | 112.5 | V1365 L1367 D1371 I1372 G1373 M1397 I1400 L1401 | V1365-I1369 HydrophobicContact CG1-CD1 3.25Å; V1365-I1369 HydrophobicContact CG1-CG1 3.82Å; L1367-I1369 PolarHBondContact O-N 2.66Å; L1367-I1369 VanDerWaalsContact O-N 3.07Å; I1369-D1371 VanDerWaalsContact C-N 3.27Å; I1369-D1371 PolarHBondContact O-N 3.19Å; I1369-I1372 PolarHBondContact O-N 2.82Å; I1369-G1373 PolarHBondContact O-N 3.44Å; I1369-M1397 HydrophobicContact CD1-CB 3.61Å; I1369-M1397 HydrophobicContact CD1-CE 3.97Å; I1369-M1397 HydrophobicContact CD1-CG 3.29Å; I1369-M1397 HydrophobicContact CD1-SD 3.54Å; I1369-M1397 VanDerWaalsContact CD1-SD 3.54Å; I1369-I1400 HydrophobicContact CB-CG2 4.2Å; I1369-I1400 HydrophobicContact CD1-CD1 4.3Å; I1369-I1400 HydrophobicContact CG2-CB 4.07Å; I1369-I1400 HydrophobicContact CG2-CG2 3.8Å; I1369-L1401 HydrophobicContact CG2-CD1 4.03Å; I1369-L1401 HydrophobicContact CG2-CD2 3.63Å; I1369-L1401 HydrophobicContact CG2-CG 3.5Å; I1369-L1401 VanDerWaalsContact CG2-CG 3.5Å; I1369-L1401 VanDerWaalsContact O-CD2 3.31Å; I1369-L1401 WeakPolarHBondContact O-CD2 3.47Å |
| 1370 | R | 75.7 | Confident | 76 | Confident | 136 Ų | 136 | 41 Ų | 41 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.9 | -31 | 175 | -64.3 | -179.4 | 178.5 | -76.8 | -3.9 | 111.4 | D1366 L1367 P1368 I1400 | D1366-R1370 WeakPolarHBondContact O-CD 2.98Å; D1366-R1370 WeakPolarHBondContact O-CG 3.48Å; D1366-R1370 PolarHBondContact O-NE 2.78Å; L1367-R1370 WeakPolarHBondContact O-CB 3.34Å; L1367-R1370 PolarHBondContact O-N 3.42Å; P1368-R1370 VanDerWaalsContact C-N 3.32Å; P1368-R1370 PolarHBondContact O-N 2.88Å; R1370-I1400 HydrophobicContact CG-CG2 3.66Å |
| 1371 | D | 71.7 | Confident | 75.7 | Confident | 110 Ų | 110 | 43.3 Ų | 43.3 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -77.3 | -33.4 | 177.6 | -55.2 | -24.4 | 0 | 0 | 0 | 112.1 | P1337 L1367 P1368 I1369 | P1337-D1371 HydrophobicContact CB-CB 3.87Å; P1337-D1371 HydrophobicContact CG-CB 3.99Å; L1367-D1371 PolarHBondContact O-N 3.01Å; P1368-D1371 PolarHBondContact O-N 3.09Å; I1369-D1371 VanDerWaalsContact C-N 3.27Å; I1369-D1371 PolarHBondContact O-N 3.19Å |
| 1372 | I | 72.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.6 | -37.8 | 176.9 | -67.1 | 161.7 | 0 | 0 | 0 | 112.3 | M1336 P1337 P1340 M1343 P1368 I1369 | M1336-I1372 HydrophobicContact CB-CD1 3.91Å; P1337-I1372 HydrophobicContact CB-CG1 4.4Å; P1340-I1372 HydrophobicContact CB-CG2 4.36Å; M1343-I1372 HydrophobicContact SD-CD1 3.94Å; M1343-I1372 HydrophobicContact SD-CG2 4.47Å; P1368-I1372 WeakPolarHBondContact O-CD1 3.41Å; P1368-I1372 VanDerWaalsContact O-CG1 3.3Å; P1368-I1372 WeakPolarHBondContact O-CG1 3.34Å; P1368-I1372 PolarHBondContact O-N 2.69Å; P1368-I1372 VanDerWaalsContact O-N 3.09Å; I1369-I1372 PolarHBondContact O-N 2.82Å |
| 1373 | G | 69 | Low | 74.7 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | trans | 74.1 | 170 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1369 Y1375 | I1369-G1373 PolarHBondContact O-N 3.44Å; G1373-Y1375 VanDerWaalsContact C-N 3.33Å; G1373-Y1375 PolarHBondContact O-N 3.01Å | ||
| 1374 | I | 70.2 | Confident | 74 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.1 | -169.9 | -160 | 165.9 | 0 | 0 | 0 | 114.3 | H1380 L1401 T1402 P1462 L1466 | I1374-H1380 VanDerWaalsContact C-NE2 3.26Å; I1374-H1380 PolarHBondContact O-NE2 3.25Å; I1374-L1401 HydrophobicContact CB-CB 4.38Å; I1374-L1401 HydrophobicContact CB-CD2 4.41Å; I1374-L1401 HydrophobicContact CD1-CB 4.23Å; I1374-L1401 HydrophobicContact CG1-CB 4.23Å; I1374-L1401 HydrophobicContact CG1-CD1 4.46Å; I1374-T1402 HydrophobicContact CD1-CG2 3.89Å; I1374-P1462 HydrophobicContact CD1-CB 3.86Å; I1374-L1466 HydrophobicContact CD1-CD2 4.03Å; I1374-L1466 HydrophobicContact CG1-CD2 3.58Å |
| 1375 | Y | 64.1 | Low | 73.6 | Confident | 75 Ų | 75 | 43 Ų | 43 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2.5 | -174.8 | -57.9 | -67.3 | 0 | 0 | 0 | 114 | G1373 I1377 P1463 A1528 I1537 | G1373-Y1375 VanDerWaalsContact C-N 3.33Å; G1373-Y1375 PolarHBondContact O-N 3.01Å; Y1375-I1377 PolarHBondContact O-N 3.23Å; Y1375-P1463 HydrophobicContact CD1-CB 4.1Å; Y1375-P1463 HydrophobicContact CD1-CG 3.91Å; Y1375-P1463 HydrophobicContact CE1-CB 4.17Å; Y1375-P1463 HydrophobicContact CE1-CG 4.14Å; Y1375-A1528 HydrophobicContact CE2-CB 4.22Å; Y1375-I1537 WeakPolarHBondContact O-CD1 3.47Å |
| 1376 | S | 68.8 | Low | 72.8 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -64.5 | 125.3 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | P1340 D1378 L1379 H1380 | P1340-S1376 WeakPolarHBondContact CB-OG 3.44Å; S1376-D1378 VanDerWaalsContact C-N 3.28Å; S1376-D1378 PolarHBondContact O-N 3.33Å; S1376-D1378 PolarHBondContact OG-N 3.28Å; S1376-L1379 WeakPolarHBondContact O-CB 2.74Å; S1376-L1379 PolarHBondContact O-N 3.49Å; S1376-H1380 PolarHBondContact O-CD2 3.04Å; S1376-H1380 PolarHBondContact O-N 3.25Å | ||
| 1377 | I | 72.2 | Confident | 72.5 | Confident | 45 Ų | 45 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -34.1 | 175.9 | -172.3 | 59.6 | 0 | 0 | 0 | 112.5 | Y1375 H1380 N1381 N1536 I1537 | Y1375-I1377 PolarHBondContact O-N 3.23Å; I1377-H1380 WeakPolarHBondContact O-CB 3.32Å; I1377-H1380 PolarHBondContact O-N 2.94Å; I1377-H1380 VanDerWaalsContact O-N 3.11Å; I1377-N1381 VanDerWaalsContact O-CG 3.23Å; I1377-N1381 PolarHBondContact O-N 3.42Å; I1377-N1381 PolarHBondContact O-ND2 2.91Å; I1377-N1381 PolarHBondContact O-OD1 3.34Å; I1377-N1536 HydrophobicContact CG2-CB 3.81Å; I1377-I1537 HydrophobicContact CB-CD1 4.14Å; I1377-I1537 HydrophobicContact CB-CG1 4.15Å; I1377-I1537 HydrophobicContact CD1-CD1 4.17Å; I1377-I1537 HydrophobicContact CD1-CG1 4.25Å |
| 1378 | D | 71.5 | Confident | 72.4 | Confident | 33 Ų | 33 | 43 Ų | 43 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.6 | -30.2 | -177.8 | -54.9 | -49.5 | 0 | 0 | 0 | 112 | P1340 G1341 S1376 H1380 N1381 L1382 | P1340-D1378 HydrophobicContact CB-CB 4.16Å; P1340-D1378 WeakPolarHBondContact CG-OD2 3.38Å; G1341-D1378 PolarHBondContact N-OD2 2.96Å; S1376-D1378 VanDerWaalsContact C-N 3.28Å; S1376-D1378 PolarHBondContact O-N 3.33Å; S1376-D1378 PolarHBondContact OG-N 3.28Å; D1378-H1380 VanDerWaalsContact C-N 3.31Å; D1378-N1381 PolarHBondContact O-N 3.37Å; D1378-L1382 WeakPolarHBondContact O-CB 3.42Å; D1378-L1382 PolarHBondContact O-N 3.08Å |
| 1379 | L | 74.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 165.4 | 174.3 | 82.6 | 0 | 0 | 0 | 110 | M1343 S1376 N1381 L1382 V1383 M1397 L1401 L1466 | M1343-L1379 HydrophobicContact CE-CB 4.1Å; M1343-L1379 HydrophobicContact CE-CD1 3.65Å; S1376-L1379 WeakPolarHBondContact O-CB 2.74Å; S1376-L1379 PolarHBondContact O-N 3.49Å; L1379-N1381 VanDerWaalsContact C-N 3.32Å; L1379-N1381 PolarHBondContact O-N 2.99Å; L1379-L1382 PolarHBondContact O-N 3.08Å; L1379-V1383 WeakPolarHBondContact O-CG2 3.46Å; L1379-V1383 PolarHBondContact O-N 2.96Å; L1379-V1383 VanDerWaalsContact O-N 3.12Å; L1379-M1397 HydrophobicContact CD1-CB 4.42Å; L1379-M1397 HydrophobicContact CD1-SD 4.24Å; L1379-L1401 HydrophobicContact CD1-CD1 3.99Å; L1379-L1401 HydrophobicContact CD2-CD1 3.39Å; L1379-L1401 HydrophobicContact CG-CD1 4.36Å; L1379-L1466 HydrophobicContact CD2-CD1 4.35Å; L1379-L1466 HydrophobicContact CD2-CD2 4.31Å |
| 1380 | H | 73.2 | Confident | 72.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | -179.4 | -61.4 | -169.1 | 0 | 0 | 0 | 110.2 | I1374 S1376 I1377 D1378 V1383 S1384 P1463 S1465 R1469 | I1374-H1380 VanDerWaalsContact C-NE2 3.26Å; I1374-H1380 PolarHBondContact O-NE2 3.25Å; S1376-H1380 PolarHBondContact O-CD2 3.04Å; S1376-H1380 PolarHBondContact O-N 3.25Å; I1377-H1380 WeakPolarHBondContact O-CB 3.32Å; I1377-H1380 PolarHBondContact O-N 2.94Å; I1377-H1380 VanDerWaalsContact O-N 3.11Å; D1378-H1380 VanDerWaalsContact C-N 3.31Å; H1380-V1383 PolarHBondContact O-N 3.41Å; H1380-S1384 PolarHBondContact O-N 3.17Å; H1380-S1384 PolarHBondContact O-OG 3.12Å; H1380-S1384 VanDerWaalsContact O-OG 3.14Å; H1380-P1463 WeakPolarHBondContact CE1-CB 3.15Å; H1380-P1463 WeakPolarHBondContact CE1-CG 3.42Å; H1380-P1463 WeakPolarHBondContact NE2-CG 3.21Å; H1380-S1465 PolarHBondContact CE1-OG 2.64Å; H1380-S1465 PolarHBondContact ND1-OG 3.1Å; H1380-R1469 WeakPolarHBondContact O-CD 3.4Å; H1380-R1469 PolarHBondContact O-NH1 3.12Å |
| 1381 | N | 76 | Confident | 72.5 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 178 | -66.2 | -17.6 | 0 | 0 | 0 | 112.2 | I1377 D1378 L1379 V1383 S1384 E1385 R1469 | I1377-N1381 VanDerWaalsContact O-CG 3.23Å; I1377-N1381 PolarHBondContact O-N 3.42Å; I1377-N1381 PolarHBondContact O-ND2 2.91Å; I1377-N1381 PolarHBondContact O-OD1 3.34Å; D1378-N1381 PolarHBondContact O-N 3.37Å; L1379-N1381 VanDerWaalsContact C-N 3.32Å; L1379-N1381 PolarHBondContact O-N 2.99Å; N1381-V1383 VanDerWaalsContact C-N 3.32Å; N1381-V1383 PolarHBondContact O-N 3.36Å; N1381-S1384 WeakPolarHBondContact CA-OG 3.48Å; N1381-S1384 PolarHBondContact O-N 2.96Å; N1381-S1384 PolarHBondContact O-OG 3.31Å; N1381-E1385 PolarHBondContact O-N 2.8Å; N1381-R1469 PolarHBondContact OD1-NH1 3.07Å |
| 1382 | L | 75.7 | Confident | 73 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -32.4 | 173.7 | 178.6 | 57.5 | 0 | 0 | 0 | 113.2 | M1343 H1344 A1347 D1378 L1379 E1385 C1386 I1394 M1397 | M1343-L1382 HydrophobicContact CB-CD2 3.92Å; M1343-L1382 HydrophobicContact CE-CD2 4.48Å; H1344-L1382 PolarHBondContact NE2-N 3.22Å; A1347-L1382 HydrophobicContact CB-CD1 3.73Å; A1347-L1382 HydrophobicContact CB-CD2 4.47Å; D1378-L1382 WeakPolarHBondContact O-CB 3.42Å; D1378-L1382 PolarHBondContact O-N 3.08Å; L1379-L1382 PolarHBondContact O-N 3.08Å; L1382-E1385 CarbonylContact O-C 3.56Å; L1382-C1386 WeakPolarHBondContact O-CA 3.12Å; L1382-C1386 PolarHBondContact O-N 2.85Å; L1382-C1386 VanDerWaalsContact O-N 3.17Å; L1382-I1394 HydrophobicContact CG-CD1 4.2Å; L1382-M1397 HydrophobicContact CD2-CE 4.41Å; L1382-M1397 HydrophobicContact CD2-SD 4.42Å |
| 1383 | V | 73.5 | Confident | 73.5 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -36.4 | 174.6 | 176 | 0 | 0 | 0 | 0 | 111.4 | L1379 H1380 N1381 I1394 L1466 R1469 V1470 | L1379-V1383 WeakPolarHBondContact O-CG2 3.46Å; L1379-V1383 PolarHBondContact O-N 2.96Å; L1379-V1383 VanDerWaalsContact O-N 3.12Å; H1380-V1383 PolarHBondContact O-N 3.41Å; N1381-V1383 VanDerWaalsContact C-N 3.32Å; N1381-V1383 PolarHBondContact O-N 3.36Å; V1383-I1394 HydrophobicContact CG2-CG2 4.01Å; V1383-L1466 HydrophobicContact CG2-CD1 4.04Å; V1383-R1469 HydrophobicContact CB-CB 4.3Å; V1383-R1469 HydrophobicContact CG1-CB 3.72Å; V1383-V1470 HydrophobicContact CG1-CG2 3.81Å |
| 1384 | S | 70.1 | Confident | 74 | Confident | 59 Ų | 59 | 36.4 Ų | 36.4 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74.6 | -38.4 | 173.7 | 34.6 | 0 | 0 | 0 | 0 | 113.6 | H1380 N1381 R1469 | H1380-S1384 PolarHBondContact O-N 3.17Å; H1380-S1384 PolarHBondContact O-OG 3.12Å; H1380-S1384 VanDerWaalsContact O-OG 3.14Å; N1381-S1384 WeakPolarHBondContact CA-OG 3.48Å; N1381-S1384 PolarHBondContact O-N 2.96Å; N1381-S1384 PolarHBondContact O-OG 3.31Å; S1384-R1469 PolarHBondContact OG-NH1 3.02Å |
| 1385 | E | 71.8 | Confident | 74.3 | Confident | 139 Ų | 139 | 37.8 Ų | 37.8 | 65% | 0.65 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 40.6 | -176.3 | -62.2 | -174.5 | 174.8 | 0 | 0 | 112.3 | H1344 N1381 L1382 P1387 | H1344-E1385 IonicContact CE1-OE2 3.3Å; N1381-E1385 PolarHBondContact O-N 2.8Å; L1382-E1385 CarbonylContact O-C 3.56Å; E1385-P1387 WeakPolarHBondContact O-CD 3.48Å |
| 1386 | C | 65.9 | Low | 74.9 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 122.3 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | L1382 I1394 L1473 R1477 | L1382-C1386 WeakPolarHBondContact O-CA 3.12Å; L1382-C1386 PolarHBondContact O-N 2.85Å; L1382-C1386 VanDerWaalsContact O-N 3.17Å; C1386-I1394 HydrophobicContact CB-CD1 3.72Å; C1386-I1394 VanDerWaalsContact SG-CD1 3.52Å; C1386-L1473 HydrophobicContact CB-CD1 4.31Å; C1386-R1477 PolarHBondContact O-NH1 3.34Å |
| 1387 | P | 74.8 | Confident | 75.4 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 26% | 0.26 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 137.9 | 170.1 | 31.1 | -32.6 | 0 | 0 | 0 | 110.6 | A1347 T1351 E1385 G1389 A1390 | A1347-P1387 HydrophobicContact CB-CG 3.57Å; T1351-P1387 HydrophobicContact CG2-CB 4.09Å; T1351-P1387 HydrophobicContact CG2-CG 4.09Å; E1385-P1387 WeakPolarHBondContact O-CD 3.48Å; P1387-G1389 PolarHBondContact O-N 3.36Å; P1387-A1390 HydrophobicContact CG-CB 3.96Å; P1387-A1390 VanDerWaalsContact O-CB 3.25Å; P1387-A1390 WeakPolarHBondContact O-CB 3.49Å; P1387-A1390 PolarHBondContact O-N 2.9Å |
| 1388 | N | 73.9 | Confident | 75.5 | Confident | 127 Ų | 127 | 36.2 Ų | 36.2 | 68% | 0.679 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 125.6 | -172.8 | -63.5 | -9 | 0 | 0 | 0 | 112.4 | T1351 R1477 | T1351-N1388 WeakPolarHBondContact CG2-O 3.46Å; N1388-R1477 PolarHBondContact OD1-NH1 3.41Å |
| 1389 | G | 75.8 | Confident | 75.6 | Confident | 35 Ų | 35 | 38 Ų | 38 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99 | -7.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1350 P1387 E1391 | Y1350-G1389 WeakPolarHBondContact CE1-O 3.33Å; P1387-G1389 PolarHBondContact O-N 3.36Å; G1389-E1391 WeakPolarHBondContact CA-OE2 3.45Å; G1389-E1391 PolarHBondContact N-OE1 2.7Å; G1389-E1391 PolarHBondContact N-OE2 3.1Å |
| 1390 | A | 80.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -88.9 | 1.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1347 Y1350 T1351 P1387 T1392 L1393 I1394 | A1347-A1390 HydrophobicContact CB-CB 4.08Å; Y1350-A1390 HydrophobicContact CD1-CB 4.35Å; T1351-A1390 HydrophobicContact CG2-CB 3.96Å; P1387-A1390 HydrophobicContact CG-CB 3.96Å; P1387-A1390 VanDerWaalsContact O-CB 3.25Å; P1387-A1390 WeakPolarHBondContact O-CB 3.49Å; P1387-A1390 PolarHBondContact O-N 2.9Å; A1390-T1392 PolarHBondContact O-N 3.42Å; A1390-L1393 WeakPolarHBondContact O-CA 3.32Å; A1390-L1393 WeakPolarHBondContact O-CB 3.22Å; A1390-L1393 PolarHBondContact O-N 3.26Å; A1390-I1394 PolarHBondContact O-N 3.04Å | ||
| 1391 | E | 77.5 | Confident | 75.2 | Confident | 44 Ų | 44 | 39.2 Ų | 39.2 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -33.8 | -176.3 | -46.4 | 77.7 | -168.3 | 0 | 0 | 111.4 | G1389 T1395 V1478 | G1389-E1391 WeakPolarHBondContact CA-OE2 3.45Å; G1389-E1391 PolarHBondContact N-OE1 2.7Å; G1389-E1391 PolarHBondContact N-OE2 3.1Å; E1391-T1395 VanDerWaalsContact O-CB 3.28Å; E1391-T1395 WeakPolarHBondContact O-CB 3.39Å; E1391-T1395 PolarHBondContact O-N 3.34Å; E1391-T1395 PolarHBondContact O-OG1 3.43Å; E1391-V1478 HydrophobicContact CB-CG2 3.75Å; E1391-V1478 HydrophobicContact CG-CG2 3.68Å |
| 1392 | T | 81 | Confident | 74.6 | Confident | 79 Ų | 79 | 38 Ų | 38 | 49% | 0.485 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.6 | -35.7 | 174.8 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | Y1350 A1390 R1396 | Y1350-T1392 WeakPolarHBondContact CE1-OG1 3.41Å; Y1350-T1392 PolarHBondContact OH-OG1 3.21Å; A1390-T1392 PolarHBondContact O-N 3.42Å; T1392-R1396 PolarHBondContact O-N 3.37Å |
| 1393 | L | 82.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -51 | 173.1 | 176.6 | 64.6 | 0 | 0 | 0 | 110 | L1346 Y1350 L1362 V1365 A1390 T1395 R1396 M1397 | L1346-L1393 HydrophobicContact CD2-CD2 4.37Å; L1346-L1393 HydrophobicContact CG-CD2 4.17Å; Y1350-L1393 HydrophobicContact CD1-CB 3.83Å; Y1350-L1393 HydrophobicContact CD1-CD2 4.21Å; Y1350-L1393 HydrophobicContact CD2-CB 4.42Å; Y1350-L1393 HydrophobicContact CD2-CD2 4.33Å; Y1350-L1393 HydrophobicContact CE1-CB 3.77Å; Y1350-L1393 HydrophobicContact CE2-CB 4.37Å; Y1350-L1393 HydrophobicContact CG-CB 4.16Å; Y1350-L1393 HydrophobicContact CG-CD2 3.89Å; L1362-L1393 HydrophobicContact CD2-CB 4.49Å; L1362-L1393 HydrophobicContact CD2-CD1 3.99Å; V1365-L1393 HydrophobicContact CG1-CD1 4.36Å; A1390-L1393 WeakPolarHBondContact O-CA 3.32Å; A1390-L1393 WeakPolarHBondContact O-CB 3.22Å; A1390-L1393 PolarHBondContact O-N 3.26Å; L1393-T1395 PolarHBondContact O-N 2.8Å; L1393-R1396 CarbonylContact O-C 3.52Å; L1393-R1396 WeakPolarHBondContact O-CA 3.16Å; L1393-R1396 WeakPolarHBondContact O-CB 3.49Å; L1393-R1396 PolarHBondContact O-N 2.74Å; L1393-R1396 VanDerWaalsContact O-N 3.07Å; L1393-M1397 HydrophobicContact CD1-CE 4Å; L1393-M1397 HydrophobicContact CD2-CE 3.93Å; L1393-M1397 HydrophobicContact CG-CE 3.8Å; L1393-M1397 HydrophobicContact CG-CG 4.41Å; L1393-M1397 VanDerWaalsContact O-CG 3.22Å; L1393-M1397 WeakPolarHBondContact O-CG 3.32Å; L1393-M1397 PolarHBondContact O-N 2.94Å |
| 1394 | I | 80.6 | Confident | 72.4 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 179.5 | -68.1 | -178.5 | 0 | 0 | 0 | 111.5 | L1382 V1383 C1386 A1390 R1396 M1397 I1398 L1473 | L1382-I1394 HydrophobicContact CG-CD1 4.2Å; V1383-I1394 HydrophobicContact CG2-CG2 4.01Å; C1386-I1394 HydrophobicContact CB-CD1 3.72Å; C1386-I1394 VanDerWaalsContact SG-CD1 3.52Å; A1390-I1394 PolarHBondContact O-N 3.04Å; I1394-R1396 VanDerWaalsContact C-N 3.28Å; I1394-R1396 PolarHBondContact O-N 3.12Å; I1394-M1397 WeakPolarHBondContact O-CB 3.38Å; I1394-M1397 PolarHBondContact O-N 3.47Å; I1394-M1397 VanDerWaalsContact O-N 3.08Å; I1394-I1398 HydrophobicContact CG2-CD1 3.55Å; I1394-I1398 HydrophobicContact CG2-CG1 4.24Å; I1394-I1398 VanDerWaalsContact O-CG1 3.32Å; I1394-I1398 WeakPolarHBondContact O-CG1 3.43Å; I1394-I1398 PolarHBondContact O-N 3.02Å; I1394-L1473 HydrophobicContact CG2-CD2 4.18Å |
| 1395 | T | 76.3 | Confident | 71.1 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 26% | 0.258 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | E1391 L1393 H1399 C1483 | E1391-T1395 VanDerWaalsContact O-CB 3.28Å; E1391-T1395 WeakPolarHBondContact O-CB 3.39Å; E1391-T1395 PolarHBondContact O-N 3.34Å; E1391-T1395 PolarHBondContact O-OG1 3.43Å; L1393-T1395 PolarHBondContact O-N 2.8Å; T1395-H1399 WeakPolarHBondContact O-CB 3.47Å; T1395-H1399 PolarHBondContact O-N 2.7Å; T1395-H1399 VanDerWaalsContact O-N 3.08Å; T1395-C1483 HydrophobicContact CG2-CB 4.37Å |
| 1396 | R | 77.2 | Confident | 69.3 | Low | 88 Ų | 88 | 42.2 Ų | 42.2 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 172.9 | -179 | 54.6 | 173.1 | -161.2 | -1.3 | 111.7 | L1362 D1366 T1392 L1393 I1394 H1399 I1400 | L1362-R1396 HydrophobicContact CD2-CB 4.03Å; L1362-R1396 HydrophobicContact CD2-CG 4.22Å; D1366-R1396 IonicContact OD1-CZ 2.61Å; D1366-R1396 VanDerWaalsContact OD1-CZ 3.24Å; D1366-R1396 IonicContact OD1-NE 2.98Å; D1366-R1396 PolarHBondContact OD1-NE 2.94Å; D1366-R1396 IonicContact OD1-NH2 3.8Å; D1366-R1396 PolarHBondContact OD1-NH2 3.16Å; D1366-R1396 IonicContact OD2-CZ 3.85Å; D1366-R1396 IonicContact OD2-NH2 3.25Å; D1366-R1396 PolarHBondContact OD2-NH2 3.43Å; T1392-R1396 PolarHBondContact O-N 3.37Å; L1393-R1396 CarbonylContact O-C 3.52Å; L1393-R1396 WeakPolarHBondContact O-CA 3.16Å; L1393-R1396 WeakPolarHBondContact O-CB 3.49Å; L1393-R1396 PolarHBondContact O-N 2.74Å; L1393-R1396 VanDerWaalsContact O-N 3.07Å; I1394-R1396 VanDerWaalsContact C-N 3.28Å; I1394-R1396 PolarHBondContact O-N 3.12Å; R1396-H1399 PolarHBondContact O-N 3.32Å; R1396-I1400 HydrophobicContact CG-CD1 3.8Å; R1396-I1400 HydrophobicContact CG-CG1 4.38Å; R1396-I1400 WeakPolarHBondContact O-CD1 3.38Å; R1396-I1400 WeakPolarHBondContact O-CG1 3.22Å; R1396-I1400 PolarHBondContact O-N 2.15Å |
| 1397 | M | 78.1 | Confident | 67.7 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.4 | -54.1 | 177 | -59.8 | -149.5 | 170.3 | 0 | 0 | 111.8 | M1343 L1346 I1369 L1379 L1382 L1393 I1394 H1399 I1400 L1401 | M1343-M1397 HydrophobicContact CE-CE 4.14Å; M1343-M1397 HydrophobicContact CE-SD 3.49Å; M1343-M1397 WeakPolarHBondContact CE-SD 3.12Å; L1346-M1397 HydrophobicContact CD2-CE 4.07Å; I1369-M1397 HydrophobicContact CD1-CB 3.61Å; I1369-M1397 HydrophobicContact CD1-CE 3.97Å; I1369-M1397 HydrophobicContact CD1-CG 3.29Å; I1369-M1397 HydrophobicContact CD1-SD 3.54Å; I1369-M1397 VanDerWaalsContact CD1-SD 3.54Å; L1379-M1397 HydrophobicContact CD1-CB 4.42Å; L1379-M1397 HydrophobicContact CD1-SD 4.24Å; L1382-M1397 HydrophobicContact CD2-CE 4.41Å; L1382-M1397 HydrophobicContact CD2-SD 4.42Å; L1393-M1397 HydrophobicContact CD1-CE 4Å; L1393-M1397 HydrophobicContact CD2-CE 3.93Å; L1393-M1397 HydrophobicContact CG-CE 3.8Å; L1393-M1397 HydrophobicContact CG-CG 4.41Å; L1393-M1397 VanDerWaalsContact O-CG 3.22Å; L1393-M1397 WeakPolarHBondContact O-CG 3.32Å; L1393-M1397 PolarHBondContact O-N 2.94Å; I1394-M1397 WeakPolarHBondContact O-CB 3.38Å; I1394-M1397 PolarHBondContact O-N 3.47Å; I1394-M1397 VanDerWaalsContact O-N 3.08Å; M1397-H1399 VanDerWaalsContact C-N 3.33Å; M1397-H1399 PolarHBondContact O-N 3.42Å; M1397-I1400 PolarHBondContact O-N 3.42Å; M1397-L1401 WeakPolarHBondContact O-CG 3.44Å; M1397-L1401 PolarHBondContact O-N 3.17Å; M1397-L1401 VanDerWaalsContact O-N 3.12Å |
| 1398 | I | 75.1 | Confident | 65.5 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.9 | -37.1 | -177.1 | -52.8 | 156.8 | 0 | 0 | 0 | 110.5 | I1394 L1401 T1402 V1470 P1486 V1487 | I1394-I1398 HydrophobicContact CG2-CD1 3.55Å; I1394-I1398 HydrophobicContact CG2-CG1 4.24Å; I1394-I1398 VanDerWaalsContact O-CG1 3.32Å; I1394-I1398 WeakPolarHBondContact O-CG1 3.43Å; I1394-I1398 PolarHBondContact O-N 3.02Å; I1398-L1401 PolarHBondContact O-N 2.89Å; I1398-T1402 HydrophobicContact CG2-CG2 4.27Å; I1398-T1402 WeakPolarHBondContact O-CB 3.47Å; I1398-T1402 VanDerWaalsContact O-CG2 3.29Å; I1398-T1402 WeakPolarHBondContact O-CG2 3.21Å; I1398-T1402 PolarHBondContact O-N 3.25Å; I1398-T1402 VanDerWaalsContact O-N 3.1Å; I1398-T1402 PolarHBondContact O-OG1 2.81Å; I1398-V1470 HydrophobicContact CD1-CG1 4.22Å; I1398-V1470 HydrophobicContact CD1-CG2 3.54Å; I1398-V1470 HydrophobicContact CG1-CG2 4.39Å; I1398-P1486 HydrophobicContact CG2-CB 3.74Å; I1398-V1487 HydrophobicContact CG2-CG2 3.58Å |
| 1399 | H | 73.8 | Confident | 63.6 | Low | 71 Ų | 71 | 45.2 Ų | 45.2 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174 | -175.1 | 33.4 | 0 | 0 | 0 | 111.9 | T1395 R1396 M1397 L1401 T1402 D1403 P1486 | T1395-H1399 WeakPolarHBondContact O-CB 3.47Å; T1395-H1399 PolarHBondContact O-N 2.7Å; T1395-H1399 VanDerWaalsContact O-N 3.08Å; R1396-H1399 PolarHBondContact O-N 3.32Å; M1397-H1399 VanDerWaalsContact C-N 3.33Å; M1397-H1399 PolarHBondContact O-N 3.42Å; H1399-L1401 VanDerWaalsContact C-N 3.31Å; H1399-L1401 PolarHBondContact O-N 3.21Å; H1399-T1402 PolarHBondContact O-N 3.14Å; H1399-T1402 PolarHBondContact O-OG1 2.88Å; H1399-D1403 IonicContact CE1-OD1 2.69Å; H1399-D1403 PolarHBondContact CE1-OD1 2.93Å; H1399-D1403 VanDerWaalsContact CE1-OD1 3.31Å; H1399-D1403 IonicContact CE1-OD2 3.32Å; H1399-D1403 PolarHBondContact CE1-OD2 3.3Å; H1399-D1403 IonicContact ND1-OD1 3.38Å; H1399-D1403 PolarHBondContact ND1-OD1 3.49Å; H1399-D1403 IonicContact ND1-OD2 2.74Å; H1399-D1403 PolarHBondContact ND1-OD2 3.32Å; H1399-D1403 WeakPolarHBondContact O-CB 3.42Å; H1399-D1403 PolarHBondContact O-N 3.41Å; H1399-P1486 HydrophobicContact CB-CG 4.18Å |
| 1400 | I | 73.6 | Confident | 61.5 | Low | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 174.2 | -66.4 | 154.5 | 0 | 0 | 0 | 111.7 | V1365 D1366 I1369 R1370 R1396 M1397 T1402 | V1365-I1400 HydrophobicContact CG1-CD1 4.47Å; D1366-I1400 WeakPolarHBondContact OD1-CD1 3.29Å; I1369-I1400 HydrophobicContact CB-CG2 4.2Å; I1369-I1400 HydrophobicContact CD1-CD1 4.3Å; I1369-I1400 HydrophobicContact CG2-CB 4.07Å; I1369-I1400 HydrophobicContact CG2-CG2 3.8Å; R1370-I1400 HydrophobicContact CG-CG2 3.66Å; R1396-I1400 HydrophobicContact CG-CD1 3.8Å; R1396-I1400 HydrophobicContact CG-CG1 4.38Å; R1396-I1400 WeakPolarHBondContact O-CD1 3.38Å; R1396-I1400 WeakPolarHBondContact O-CG1 3.22Å; R1396-I1400 PolarHBondContact O-N 2.15Å; M1397-I1400 PolarHBondContact O-N 3.42Å; I1400-T1402 VanDerWaalsContact C-N 3.35Å |
| 1401 | L | 65.6 | Low | 59 | Low | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.2 | -20 | -177.3 | -71.3 | 169.9 | 0 | 0 | 0 | 114.6 | I1369 I1374 L1379 M1397 I1398 H1399 | I1369-L1401 HydrophobicContact CG2-CD1 4.03Å; I1369-L1401 HydrophobicContact CG2-CD2 3.63Å; I1369-L1401 HydrophobicContact CG2-CG 3.5Å; I1369-L1401 VanDerWaalsContact CG2-CG 3.5Å; I1369-L1401 VanDerWaalsContact O-CD2 3.31Å; I1369-L1401 WeakPolarHBondContact O-CD2 3.47Å; I1374-L1401 HydrophobicContact CB-CB 4.38Å; I1374-L1401 HydrophobicContact CB-CD2 4.41Å; I1374-L1401 HydrophobicContact CD1-CB 4.23Å; I1374-L1401 HydrophobicContact CG1-CB 4.23Å; I1374-L1401 HydrophobicContact CG1-CD1 4.46Å; L1379-L1401 HydrophobicContact CD1-CD1 3.99Å; L1379-L1401 HydrophobicContact CD2-CD1 3.39Å; L1379-L1401 HydrophobicContact CG-CD1 4.36Å; M1397-L1401 WeakPolarHBondContact O-CG 3.44Å; M1397-L1401 PolarHBondContact O-N 3.17Å; M1397-L1401 VanDerWaalsContact O-N 3.12Å; I1398-L1401 PolarHBondContact O-N 2.89Å; H1399-L1401 VanDerWaalsContact C-N 3.31Å; H1399-L1401 PolarHBondContact O-N 3.21Å |
| 1402 | T | 63.6 | Low | 56.8 | Low | 25 Ų | 25 | 48.9 Ų | 48.9 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -115.2 | -17.5 | -174 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | I1374 I1398 H1399 I1400 W1404 P1486 | I1374-T1402 HydrophobicContact CD1-CG2 3.89Å; I1398-T1402 HydrophobicContact CG2-CG2 4.27Å; I1398-T1402 WeakPolarHBondContact O-CB 3.47Å; I1398-T1402 VanDerWaalsContact O-CG2 3.29Å; I1398-T1402 WeakPolarHBondContact O-CG2 3.21Å; I1398-T1402 PolarHBondContact O-N 3.25Å; I1398-T1402 VanDerWaalsContact O-N 3.1Å; I1398-T1402 PolarHBondContact O-OG1 2.81Å; H1399-T1402 PolarHBondContact O-N 3.14Å; H1399-T1402 PolarHBondContact O-OG1 2.88Å; I1400-T1402 VanDerWaalsContact C-N 3.35Å; T1402-W1404 PolarHBondContact O-N 3.06Å; T1402-P1486 WeakPolarHBondContact CB-O 3.39Å; T1402-P1486 HydrophobicContact CG2-CB 4.04Å; T1402-P1486 VanDerWaalsContact CG2-O 3.26Å; T1402-P1486 WeakPolarHBondContact CG2-O 3.31Å; T1402-P1486 VanDerWaalsContact OG1-CA 3.31Å; T1402-P1486 WeakPolarHBondContact OG1-CA 3.34Å; T1402-P1486 WeakPolarHBondContact OG1-CB 3.25Å |
| 1403 | D | 59.7 | Low | 54.4 | Low | 39 Ų | 39 | 47.6 Ų | 47.6 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | trans | -77.3 | 74.1 | 173 | -85.5 | 41.4 | 0 | 0 | 0 | 111.7 | H1399 P1405 R1517 | H1399-D1403 IonicContact CE1-OD1 2.69Å; H1399-D1403 PolarHBondContact CE1-OD1 2.93Å; H1399-D1403 VanDerWaalsContact CE1-OD1 3.31Å; H1399-D1403 IonicContact CE1-OD2 3.32Å; H1399-D1403 PolarHBondContact CE1-OD2 3.3Å; H1399-D1403 IonicContact ND1-OD1 3.38Å; H1399-D1403 PolarHBondContact ND1-OD1 3.49Å; H1399-D1403 IonicContact ND1-OD2 2.74Å; H1399-D1403 PolarHBondContact ND1-OD2 3.32Å; H1399-D1403 WeakPolarHBondContact O-CB 3.42Å; H1399-D1403 PolarHBondContact O-N 3.41Å; D1403-P1405 VanDerWaalsContact O-CD 3.32Å; D1403-P1405 WeakPolarHBondContact O-CD 3.26Å; D1403-R1517 IonicContact OD1-CZ 3.28Å; D1403-R1517 IonicContact OD1-NH1 2.7Å; D1403-R1517 PolarHBondContact OD1-NH1 2.98Å; D1403-R1517 VanDerWaalsContact OD1-NH1 3.12Å; D1403-R1517 IonicContact OD1-NH2 2.82Å; D1403-R1517 PolarHBondContact OD1-NH2 2.83Å; D1403-R1517 IonicContact OD2-NH2 2.93Å; D1403-R1517 PolarHBondContact OD2-NH2 3.11Å | ||
| 1404 | W | 42.1 | Very low | 52.1 | Low | 125 Ų | 125 | 52.8 Ų | 52.8 | 47% | 0.473 | 33% | 0.325 | S | S | . | . | trans | -89.2 | 87.5 | 155.3 | 172 | -94.6 | 0 | 0 | 0 | 110.1 | T1402 A1407 A1458 | T1402-W1404 PolarHBondContact O-N 3.06Å; W1404-A1407 HydrophobicContact CH2-CB 3.84Å; W1404-A1407 HydrophobicContact CZ2-CB 4.12Å; W1404-A1407 HydrophobicContact CZ3-CB 4.4Å; W1404-A1458 PolarHBondContact NE1-O 2.92Å | ||
| 1405 | P | 42.4 | Very low | 49.7 | Very low | 75 Ų | 75 | 54.2 Ų | 54.2 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | trans | -142.5 | 51.3 | 148.3 | 40.4 | -26.8 | 0 | 0 | 0 | 113.1 | D1403 | D1403-P1405 VanDerWaalsContact O-CD 3.32Å; D1403-P1405 WeakPolarHBondContact O-CD 3.26Å | ||
| 1406 | S | 34.2 | Very low | 47.4 | Very low | 53 Ų | 53 | 57.6 Ų | 57.6 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | trans | -150.5 | 32.2 | 176.8 | -90.9 | 0 | 0 | 0 | 0 | 117.5 | A1408 N1409 A1410 | S1406-A1408 PolarHBondContact O-N 3.38Å; S1406-N1409 PolarHBondContact O-N 3.03Å; S1406-N1409 VanDerWaalsContact O-N 3.17Å; S1406-N1409 PolarHBondContact OG-ND2 3.33Å; S1406-A1410 VanDerWaalsContact O-CB 3.26Å; S1406-A1410 WeakPolarHBondContact O-CB 3.44Å; S1406-A1410 PolarHBondContact O-N 3.18Å | ||
| 1407 | A | 32.1 | Very low | 45.1 | Very low | 54 Ų | 54 | 58.6 Ų | 58.6 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -53.7 | -36.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1404 A1411 | W1404-A1407 HydrophobicContact CH2-CB 3.84Å; W1404-A1407 HydrophobicContact CZ2-CB 4.12Å; W1404-A1407 HydrophobicContact CZ3-CB 4.4Å; A1407-A1411 WeakPolarHBondContact O-CB 3.26Å; A1407-A1411 PolarHBondContact O-N 3.21Å |
| 1408 | A | 30.2 | Very low | 42.7 | Very low | 74 Ų | 74 | 60.5 Ų | 60.5 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1406 A1412 | S1406-A1408 PolarHBondContact O-N 3.38Å; A1408-A1412 WeakPolarHBondContact O-CB 3.37Å; A1408-A1412 PolarHBondContact O-N 2.92Å |
| 1409 | N | 32.8 | Very low | 40.4 | Very low | 108 Ų | 108 | 64.3 Ų | 64.3 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -81.5 | -26.9 | -177.4 | -65.5 | -18.5 | 0 | 0 | 0 | 113.1 | S1406 A1413 | S1406-N1409 PolarHBondContact O-N 3.03Å; S1406-N1409 VanDerWaalsContact O-N 3.17Å; S1406-N1409 PolarHBondContact OG-ND2 3.33Å; N1409-A1413 WeakPolarHBondContact O-CB 3.39Å; N1409-A1413 PolarHBondContact O-N 2.95Å |
| 1410 | A | 31.4 | Very low | 38.2 | Very low | 55 Ų | 55 | 66.9 Ų | 66.9 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1406 A1413 T1414 | S1406-A1410 VanDerWaalsContact O-CB 3.26Å; S1406-A1410 WeakPolarHBondContact O-CB 3.44Å; S1406-A1410 PolarHBondContact O-N 3.18Å; A1410-A1413 PolarHBondContact O-N 3.39Å; A1410-T1414 VanDerWaalsContact O-CB 3.26Å; A1410-T1414 WeakPolarHBondContact O-CB 3.49Å; A1410-T1414 PolarHBondContact O-N 3.22Å; A1410-T1414 PolarHBondContact O-OG1 2.83Å |
| 1411 | A | 29.6 | Very low | 36 | Very low | 61 Ų | 61 | 74.1 Ų | 74.1 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | A1407 T1414 A1415 | A1407-A1411 WeakPolarHBondContact O-CB 3.26Å; A1407-A1411 PolarHBondContact O-N 3.21Å; A1411-T1414 PolarHBondContact O-N 3.45Å; A1411-A1415 WeakPolarHBondContact O-CB 3.42Å; A1411-A1415 PolarHBondContact O-N 3.38Å |
| 1412 | A | 30.1 | Very low | 34.1 | Very low | 40 Ų | 40 | 79.6 Ų | 79.6 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1408 N1416 | A1408-A1412 WeakPolarHBondContact O-CB 3.37Å; A1408-A1412 PolarHBondContact O-N 2.92Å; A1412-N1416 WeakPolarHBondContact O-CB 3.35Å; A1412-N1416 PolarHBondContact O-N 3.1Å; A1412-N1416 PolarHBondContact O-ND2 3.04Å |
| 1413 | A | 30.9 | Very low | 32.3 | Very low | 52 Ų | 52 | 83.1 Ų | 83.1 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.7 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1409 A1410 S1417 | N1409-A1413 WeakPolarHBondContact O-CB 3.39Å; N1409-A1413 PolarHBondContact O-N 2.95Å; A1410-A1413 PolarHBondContact O-N 3.39Å; A1413-S1417 WeakPolarHBondContact O-CB 3.32Å; A1413-S1417 PolarHBondContact O-N 3.29Å; A1413-S1417 PolarHBondContact O-OG 3.5Å |
| 1414 | T | 34.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 88 Ų | 88 | 67% | 0.669 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.5 | -33.6 | 176.3 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | A1410 A1411 | A1410-T1414 VanDerWaalsContact O-CB 3.26Å; A1410-T1414 WeakPolarHBondContact O-CB 3.49Å; A1410-T1414 PolarHBondContact O-N 3.22Å; A1410-T1414 PolarHBondContact O-OG1 2.83Å; A1411-T1414 PolarHBondContact O-N 3.45Å |
| 1415 | A | 30 | Very low | 29.9 | Very low | 33 Ų | 33 | 88.2 Ų | 88.2 | 27% | 0.273 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.6 | -46.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1411 S1418 | A1411-A1415 WeakPolarHBondContact O-CB 3.42Å; A1411-A1415 PolarHBondContact O-N 3.38Å; A1415-S1418 PolarHBondContact O-N 2.81Å; A1415-S1418 PolarHBondContact O-OG 2.89Å |
| 1416 | N | 28.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 89.1 Ų | 89.1 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -84.4 | -16.6 | -173 | -64.4 | -16.9 | 0 | 0 | 0 | 113.8 | A1412 S1418 | A1412-N1416 WeakPolarHBondContact O-CB 3.35Å; A1412-N1416 PolarHBondContact O-N 3.1Å; A1412-N1416 PolarHBondContact O-ND2 3.04Å; N1416-S1418 PolarHBondContact O-N 3.05Å; N1416-S1418 VanDerWaalsContact O-N 3.12Å |
| 1417 | S | 30 | Very low | 28.8 | Very low | 108 Ų | 108 | 92.9 Ų | 92.9 | 76% | 0.755 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 15.1 | 168.1 | -53.7 | 0 | 0 | 0 | 0 | 113 | A1413 | A1413-S1417 WeakPolarHBondContact O-CB 3.32Å; A1413-S1417 PolarHBondContact O-N 3.29Å; A1413-S1417 PolarHBondContact O-OG 3.5Å |
| 1418 | S | 27.6 | Very low | 28.4 | Very low | 41 Ų | 41 | 95.6 Ų | 95.6 | 29% | 0.287 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.6 | 10.5 | -178.4 | 76.2 | 0 | 0 | 0 | 0 | 115.7 | A1415 N1416 P1440 | A1415-S1418 PolarHBondContact O-N 2.81Å; A1415-S1418 PolarHBondContact O-OG 2.89Å; N1416-S1418 PolarHBondContact O-N 3.05Å; N1416-S1418 VanDerWaalsContact O-N 3.12Å; S1418-P1440 VanDerWaalsContact OG-CB 3.31Å; S1418-P1440 WeakPolarHBondContact OG-CB 3.45Å |
| 1419 | S | 27 | Very low | 28 | Very low | 84 Ų | 84 | 96.8 Ų | 96.8 | 59% | 0.587 | 62% | 0.615 | S | S | * | * | trans | -167.3 | 97.3 | 161.1 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1420 | V | 26.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 101.6 Ų | 101.6 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | trans | -139.6 | 109.8 | 158.8 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1421 | N | 26.9 | Very low | 27.3 | Very low | 158 Ų | 158 | 103.5 Ų | 103.5 | 85% | 0.845 | 64% | 0.636 | S | S | * | * | trans | 53.9 | 124.3 | 152.8 | -58.3 | -8.6 | 0 | 0 | 0 | 122 | ||||
| 1422 | T | 25.8 | Very low | 27 | Very low | 140 Ų | 140 | 107.8 Ų | 107.8 | 86% | 0.859 | 66% | 0.656 | S | S | * | * | trans | -99.4 | 142.8 | 176.5 | -46.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1423 | S | 26.4 | Very low | 26.7 | Very low | 98 Ų | 98 | 110.4 Ų | 110.4 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | trans | -175 | 144.2 | 135 | 42.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1424 | N | 26.5 | Very low | 26.5 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | trans | 74 | 130.6 | 157.7 | -57.4 | -27.6 | 0 | 0 | 0 | 120.9 | ||||
| 1425 | I | 25.2 | Very low | 26.1 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | trans | 69.7 | 128.8 | 157.9 | -61.6 | 164.5 | 0 | 0 | 0 | 115.6 | ||||
| 1426 | S | 26.1 | Very low | 25.9 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | cis | -168.7 | 146.1 | -13.1 | -100.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1427 | V | 26.8 | Very low | 25.6 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | trans | 55.3 | 136.4 | 137.8 | 179.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1428 | P | 24.3 | Very low | 25.5 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | cis | -137.7 | 175.1 | -24.7 | 39 | -19.3 | 0 | 0 | 0 | 116.2 | ||||
| 1429 | S | 22.9 | Very low | 25.3 | Very low | 99 Ų | 99 | 124.9 Ų | 124.9 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | trans | -7.8 | 115.6 | 153.8 | -45.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1430 | Y | 25.1 | Very low | 25.2 | Very low | 210 Ų | 210 | 123.8 Ų | 123.8 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | -164.6 | 107.3 | 126.5 | -80.9 | -62 | 0 | 0 | 0 | 106.3 | |||||
| 1431 | S | 22.9 | Very low | 25 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | 28.6 | 113.2 | 62.6 | 70.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1432 | T | 23.7 | Very low | 24.9 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 92% | 0.92 | 71% | 0.705 | S | S | * | * | S | Bend | cis | -107.8 | 116 | 9 | 50 | 0 | 0 | 0 | 0 | 112 | ||
| 1433 | S | 24 | Very low | 25 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | trans | -132.6 | 152.1 | -170.5 | -170.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1434 | T | 27.2 | Very low | 24.9 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | trans | -10 | 131.6 | 144.8 | -53.9 | 0 | 0 | 0 | 0 | 115.6 | A1436 | T1434-A1436 HydrophobicContact CG2-CB 4.24Š| ||
| 1435 | K | 24.5 | Very low | 24.9 | Very low | 172 Ų | 172 | 117.7 Ų | 117.7 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -127 | 72.3 | 154.2 | -91.6 | -149 | 171.9 | -160.3 | 0 | 111.9 | Q1437 | K1435-Q1437 PolarHBondContact O-N 2.8Š| ||
| 1436 | A | 25.5 | Very low | 25 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | trans | -61.6 | 111.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 107 | T1434 | T1434-A1436 HydrophobicContact CG2-CB 4.24Š| ||
| 1437 | Q | 24.1 | Very low | 25 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 55% | 0.547 | 70% | 0.701 | S | S | . | * | trans | -144.5 | 80.3 | 169.7 | -164.6 | 159.2 | 22.2 | 0 | 0 | 110.7 | K1435 T1439 | K1435-Q1437 PolarHBondContact O-N 2.8Å; Q1437-T1439 PolarHBondContact O-N 2.76Å; Q1437-T1439 VanDerWaalsContact O-N 3.14Å; Q1437-T1439 PolarHBondContact O-OG1 2.82Å; Q1437-T1439 VanDerWaalsContact O-OG1 3.1Å | ||
| 1438 | I | 27 | Very low | 25.2 | Very low | 166 Ų | 166 | 116.5 Ų | 116.5 | 85% | 0.851 | 68% | 0.684 | S | S | * | * | trans | -48.8 | 116.8 | 167.6 | -60.7 | 160.3 | 0 | 0 | 0 | 108.2 | ||||
| 1439 | T | 23.4 | Very low | 25.3 | Very low | 100 Ų | 100 | 117.6 Ų | 117.6 | 61% | 0.613 | 68% | 0.68 | S | S | * | * | trans | -148.5 | 150.7 | 171.9 | 22.8 | 0 | 0 | 0 | 0 | 108.9 | Q1437 | Q1437-T1439 PolarHBondContact O-N 2.76Å; Q1437-T1439 VanDerWaalsContact O-N 3.14Å; Q1437-T1439 PolarHBondContact O-OG1 2.82Å; Q1437-T1439 VanDerWaalsContact O-OG1 3.1Å | ||
| 1440 | P | 23.8 | Very low | 25.4 | Very low | 61 Ų | 61 | 117.9 Ų | 117.9 | 40% | 0.396 | 67% | 0.673 | S | S | . | * | trans | -121.2 | 178.3 | -133.7 | 43 | -34.5 | 0 | 0 | 0 | 114.7 | S1418 | S1418-P1440 VanDerWaalsContact OG-CB 3.31Å; S1418-P1440 WeakPolarHBondContact OG-CB 3.45Å | ||
| 1441 | L | 22.6 | Very low | 25.4 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 56% | 0.555 | 65% | 0.65 | S | S | * | * | trans | 65.9 | 130 | 152.9 | -73.7 | 161 | 0 | 0 | 0 | 119.6 | ||||
| 1442 | S | 24.8 | Very low | 25.5 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | trans | 78 | 156.4 | 137.5 | -62 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1443 | P | 28.8 | Very low | 25.5 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | -139.3 | 138.7 | -63.2 | 33.8 | -15.8 | 0 | 0 | 0 | 114.6 | |||||
| 1444 | G | 24.6 | Very low | 25.6 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 76% | 0.763 | 65% | 0.648 | S | S | * | * | trans | 68.2 | -163.5 | 166 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1445 | N | 26 | Very low | 25.6 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | cis | -154.5 | -174.5 | -4.5 | -120.9 | 0.1 | 0 | 0 | 0 | 109.7 | T1447 | N1445-T1447 PolarHBondContact OD1-OG1 3.32Š| ||
| 1446 | N | 27.8 | Very low | 25.7 | Very low | 153 Ų | 153 | 110.9 Ų | 110.9 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | 82.1 | 66 | -170.2 | -45.9 | -32.7 | 0 | 0 | 0 | 111.1 | ||||
| 1447 | T | 26.2 | Very low | 26.3 | Very low | 81 Ų | 81 | 109.8 Ų | 109.8 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | cis | 58.7 | 115.8 | 40.1 | -41.9 | 0 | 0 | 0 | 0 | 112.5 | N1445 | N1445-T1447 PolarHBondContact OD1-OG1 3.32Š| ||
| 1448 | H | 29.2 | Very low | 27 | Very low | 96 Ų | 96 | 106.6 Ų | 106.6 | 44% | 0.444 | 62% | 0.623 | S | S | . | * | trans | 176.7 | 119.1 | 143.3 | -87.5 | -68 | 0 | 0 | 0 | 105.9 | Q1839 | H1448-Q1839 WeakPolarHBondContact O-CG 3.35Š| ||
| 1449 | Q | 26.3 | Very low | 28.1 | Very low | 133 Ų | 133 | 99.8 Ų | 99.8 | 62% | 0.621 | 59% | 0.589 | S | S | * | * | cis | -171.8 | -70.9 | -8.2 | -124.5 | 163.4 | -8.4 | 0 | 0 | 112.6 | G1451 Q1839 | Q1449-G1451 PolarHBondContact O-N 2.84Å; Q1449-Q1839 VanDerWaalsContact CA-OE1 3.3Å; Q1449-Q1839 HydrophobicContact CB-CG 4.38Å | ||
| 1450 | I | 25.7 | Very low | 29.6 | Very low | 106 Ų | 106 | 98 Ų | 98 | 54% | 0.544 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -42.1 | 122.7 | 177.5 | -45.7 | 171.4 | 0 | 0 | 0 | 111.3 | Q1839 S1840 | I1450-Q1839 HydrophobicContact CB-CB 3.96Å; I1450-Q1839 HydrophobicContact CB-CG 4.1Å; I1450-Q1839 HydrophobicContact CD1-CB 4.3Å; I1450-Q1839 HydrophobicContact CG1-CB 4.15Å; I1450-Q1839 HydrophobicContact CG1-CG 4.18Å; I1450-Q1839 VanDerWaalsContact N-CG 3.29Å; I1450-S1840 PolarHBondContact O-N 3.13Å |
| 1451 | G | 25.5 | Very low | 31.3 | Very low | 34 Ų | 34 | 97.6 Ų | 97.6 | 35% | 0.351 | 57% | 0.569 | S | S | . | * | cis | -151.6 | 130.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1449 L1453 N1841 | Q1449-G1451 PolarHBondContact O-N 2.84Å; G1451-L1453 PolarHBondContact O-N 3.08Å; G1451-N1841 PolarHBondContact N-ND2 3.35Å; G1451-N1841 PolarHBondContact N-OD1 3.41Å | ||
| 1452 | Q | 24.6 | Very low | 33.3 | Very low | 191 Ų | 191 | 92.8 Ų | 92.8 | 89% | 0.893 | 54% | 0.544 | S | S | * | . | trans | -58.5 | 122.4 | 166.5 | -59 | 156.9 | -30.2 | 0 | 0 | 109.7 | ||||
| 1453 | L | 23.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 88.2 Ų | 88.2 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | trans | -168.8 | 113.3 | 156.2 | -101.5 | 147.1 | 0 | 0 | 0 | 110.4 | G1451 | G1451-L1453 PolarHBondContact O-N 3.08Š| ||
| 1454 | L | 25.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 87.3 Ų | 87.3 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | trans | 41.2 | 97.5 | 151 | -78.9 | 45.1 | 0 | 0 | 0 | 118.5 | R1602 | L1454-R1602 HydrophobicContact CD2-CG 4.33Š| ||
| 1455 | I | 28.8 | Very low | 39.6 | Very low | 163 Ų | 163 | 85.7 Ų | 85.7 | 84% | 0.836 | 48% | 0.483 | S | S | * | . | trans | -124.8 | 119.8 | 149.4 | -57.3 | -179 | 0 | 0 | 0 | 107.9 | ||||
| 1456 | G | 26.7 | Very low | 41.9 | Very low | 52 Ų | 52 | 79.3 Ų | 79.3 | 54% | 0.536 | 45% | 0.449 | S | S | . | . | trans | -91.2 | -174.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1458 | G1456-A1458 PolarHBondContact O-N 3.34Å; G1456-A1458 VanDerWaalsContact O-N 3.08Å | ||
| 1457 | P | 36.9 | Very low | 44.1 | Very low | 68 Ų | 68 | 72.4 Ų | 72.4 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | trans | -65.4 | 112.3 | 175.3 | 27.4 | -32.4 | 0 | 0 | 0 | 110 | V1459 | P1457-V1459 PolarHBondContact O-N 3.48Š| ||
| 1458 | A | 38.4 | Very low | 46.5 | Very low | 49 Ų | 49 | 73.2 Ų | 73.2 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | trans | -66.3 | 115 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1404 G1456 I1460 | W1404-A1458 PolarHBondContact NE1-O 2.92Å; G1456-A1458 PolarHBondContact O-N 3.34Å; G1456-A1458 VanDerWaalsContact O-N 3.08Å; A1458-I1460 PolarHBondContact O-N 3.44Å | ||
| 1459 | V | 51.3 | Low | 48.6 | Very low | 24 Ų | 24 | 71.8 Ų | 71.8 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 120.6 | -180 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | P1457 V1489 H1520 A1521 | P1457-V1459 PolarHBondContact O-N 3.48Å; V1459-V1489 HydrophobicContact CG1-CB 4.38Å; V1459-V1489 HydrophobicContact CG1-CG1 3.91Å; V1459-V1489 HydrophobicContact CG1-CG2 3.64Å; V1459-H1520 HydrophobicContact CG2-CB 3.57Å; V1459-A1521 HydrophobicContact CG1-CB 4.46Å |
| 1460 | I | 54.6 | Low | 50.9 | Low | 63 Ų | 63 | 65.5 Ų | 65.5 | 32% | 0.323 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 129.6 | 173.8 | -66.2 | 171.2 | 0 | 0 | 0 | 109.1 | A1458 A1528 | A1458-I1460 PolarHBondContact O-N 3.44Å; I1460-A1528 HydrophobicContact CG1-CB 4.33Å; I1460-A1528 HydrophobicContact CG2-CB 4.16Å |
| 1461 | I | 60.2 | Low | 53.5 | Low | 51 Ų | 51 | 62.1 Ų | 62.1 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 122.9 | 176.2 | -55.8 | 178 | 0 | 0 | 0 | 108.7 | V1489 P1547 | I1461-V1489 HydrophobicContact CB-CG1 4.37Å; I1461-V1489 HydrophobicContact CG1-CG1 4Å; I1461-V1489 HydrophobicContact CG2-CG1 4.42Å; I1461-P1547 HydrophobicContact CD1-CB 4.06Å |
| 1462 | P | 63.1 | Low | 56 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.032 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 146.6 | 177.6 | 30 | -34.5 | 0 | 0 | 0 | 111.4 | I1374 V1467 V1487 | I1374-P1462 HydrophobicContact CD1-CB 3.86Å; P1462-V1467 HydrophobicContact CB-CG2 4.37Å; P1462-V1467 HydrophobicContact CG-CG2 4.01Å; P1462-V1487 HydrophobicContact CG-CG1 4.19Å |
| 1463 | P | 70.3 | Confident | 58.4 | Low | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 142.4 | -178.9 | 26.8 | -33.4 | 0 | 0 | 0 | 111.8 | Y1375 H1380 S1465 L1466 V1467 | Y1375-P1463 HydrophobicContact CD1-CB 4.1Å; Y1375-P1463 HydrophobicContact CD1-CG 3.91Å; Y1375-P1463 HydrophobicContact CE1-CB 4.17Å; Y1375-P1463 HydrophobicContact CE1-CG 4.14Å; H1380-P1463 WeakPolarHBondContact CE1-CB 3.15Å; H1380-P1463 WeakPolarHBondContact CE1-CG 3.42Å; H1380-P1463 WeakPolarHBondContact NE2-CG 3.21Å; P1463-S1465 VanDerWaalsContact C-N 3.26Å; P1463-S1465 PolarHBondContact O-N 2.87Å; P1463-L1466 HydrophobicContact CG-CB 3.97Å; P1463-L1466 WeakPolarHBondContact O-CB 3.43Å; P1463-L1466 PolarHBondContact O-N 2.93Å; P1463-V1467 PolarHBondContact O-N 2.74Å; P1463-V1467 VanDerWaalsContact O-N 3.1Å |
| 1464 | P | 69.6 | Low | 61 | Low | 99 Ų | 99 | 52.2 Ų | 52.2 | 64% | 0.643 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.5 | -29.4 | -171 | 24 | -34.3 | 0 | 0 | 0 | 113.8 | L1466 V1467 E1468 | P1464-L1466 VanDerWaalsContact C-N 3.32Å; P1464-L1466 PolarHBondContact O-N 2.93Å; P1464-V1467 WeakPolarHBondContact O-CB 3.47Å; P1464-V1467 PolarHBondContact O-N 3.12Å; P1464-E1468 PolarHBondContact O-N 3.46Å |
| 1465 | S | 70.9 | Confident | 63.4 | Low | 39 Ų | 39 | 52.4 Ų | 52.4 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -33 | 173.5 | 54 | 0 | 0 | 0 | 0 | 113.3 | H1380 P1463 R1469 | H1380-S1465 PolarHBondContact CE1-OG 2.64Å; H1380-S1465 PolarHBondContact ND1-OG 3.1Å; P1463-S1465 VanDerWaalsContact C-N 3.26Å; P1463-S1465 PolarHBondContact O-N 2.87Å; S1465-R1469 VanDerWaalsContact O-CG 3.23Å; S1465-R1469 WeakPolarHBondContact O-CG 3.49Å; S1465-R1469 PolarHBondContact O-N 3.25Å |
| 1466 | L | 75.5 | Confident | 65.6 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.8 | -38.9 | 171.4 | -177.5 | 65.3 | 0 | 0 | 0 | 110.5 | I1374 L1379 V1383 P1463 P1464 E1468 R1469 V1470 | I1374-L1466 HydrophobicContact CD1-CD2 4.03Å; I1374-L1466 HydrophobicContact CG1-CD2 3.58Å; L1379-L1466 HydrophobicContact CD2-CD1 4.35Å; L1379-L1466 HydrophobicContact CD2-CD2 4.31Å; V1383-L1466 HydrophobicContact CG2-CD1 4.04Å; P1463-L1466 HydrophobicContact CG-CB 3.97Å; P1463-L1466 WeakPolarHBondContact O-CB 3.43Å; P1463-L1466 PolarHBondContact O-N 2.93Å; P1464-L1466 VanDerWaalsContact C-N 3.32Å; P1464-L1466 PolarHBondContact O-N 2.93Å; L1466-E1468 PolarHBondContact O-N 3.17Å; L1466-R1469 PolarHBondContact O-N 2.88Å; L1466-V1470 HydrophobicContact CD1-CG2 3.94Å; L1466-V1470 HydrophobicContact CG-CG2 4.21Å; L1466-V1470 WeakPolarHBondContact O-CB 3.34Å; L1466-V1470 VanDerWaalsContact O-CG2 3.27Å; L1466-V1470 WeakPolarHBondContact O-CG2 3.25Å; L1466-V1470 PolarHBondContact O-N 2.73Å |
| 1467 | V | 73.8 | Confident | 67.7 | Low | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.3 | -51.7 | 176.8 | 179 | 0 | 0 | 0 | 0 | 111.1 | P1462 P1463 P1464 V1470 Y1471 V1487 G1490 L1491 | P1462-V1467 HydrophobicContact CB-CG2 4.37Å; P1462-V1467 HydrophobicContact CG-CG2 4.01Å; P1463-V1467 PolarHBondContact O-N 2.74Å; P1463-V1467 VanDerWaalsContact O-N 3.1Å; P1464-V1467 WeakPolarHBondContact O-CB 3.47Å; P1464-V1467 PolarHBondContact O-N 3.12Å; V1467-V1470 PolarHBondContact O-N 2.74Å; V1467-Y1471 VanDerWaalsContact O-CB 3.29Å; V1467-Y1471 WeakPolarHBondContact O-CB 3.25Å; V1467-Y1471 PolarHBondContact O-N 3.06Å; V1467-V1487 HydrophobicContact CB-CG1 4.05Å; V1467-V1487 HydrophobicContact CG1-CG1 4.12Å; V1467-V1487 HydrophobicContact CG2-CG1 3.74Å; V1467-G1490 WeakPolarHBondContact CG1-O 3.23Å; V1467-L1491 HydrophobicContact CG1-CD2 3.76Å; V1467-L1491 HydrophobicContact CG1-CG 4.34Å |
| 1468 | E | 75.7 | Confident | 69.1 | Low | 98 Ų | 98 | 50.7 Ų | 50.7 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | -178.7 | -163.4 | -162.5 | 152.3 | 0 | 0 | 111.7 | P1464 L1466 V1470 Y1471 R1472 | P1464-E1468 PolarHBondContact O-N 3.46Å; L1466-E1468 PolarHBondContact O-N 3.17Å; E1468-V1470 PolarHBondContact O-N 2.64Å; E1468-Y1471 PolarHBondContact O-N 2.93Å; E1468-R1472 WeakPolarHBondContact O-CG 3.42Å; E1468-R1472 PolarHBondContact O-N 2.82Å; E1468-R1472 IonicContact OE1-CZ 2.71Å; E1468-R1472 VanDerWaalsContact OE1-CZ 3.22Å; E1468-R1472 IonicContact OE1-NE 3.65Å; E1468-R1472 PolarHBondContact OE1-NE 3.21Å; E1468-R1472 IonicContact OE1-NH2 3.69Å; E1468-R1472 PolarHBondContact OE1-NH2 3Å |
| 1469 | R | 72.8 | Confident | 70.6 | Confident | 66 Ų | 66 | 54.7 Ų | 54.7 | 25% | 0.249 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | -178.7 | -65.7 | 178.4 | -163 | -158.2 | 9 | 112.3 | H1380 N1381 V1383 S1384 S1465 L1466 L1473 | H1380-R1469 WeakPolarHBondContact O-CD 3.4Å; H1380-R1469 PolarHBondContact O-NH1 3.12Å; N1381-R1469 PolarHBondContact OD1-NH1 3.07Å; V1383-R1469 HydrophobicContact CB-CB 4.3Å; V1383-R1469 HydrophobicContact CG1-CB 3.72Å; S1384-R1469 PolarHBondContact OG-NH1 3.02Å; S1465-R1469 VanDerWaalsContact O-CG 3.23Å; S1465-R1469 WeakPolarHBondContact O-CG 3.49Å; S1465-R1469 PolarHBondContact O-N 3.25Å; L1466-R1469 PolarHBondContact O-N 2.88Å; R1469-L1473 WeakPolarHBondContact O-CB 3.4Å; R1469-L1473 PolarHBondContact O-N 3.02Å |
| 1470 | V | 75.3 | Confident | 71.6 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | V1383 I1398 L1466 V1467 E1468 L1473 Y1474 V1487 | V1383-V1470 HydrophobicContact CG1-CG2 3.81Å; I1398-V1470 HydrophobicContact CD1-CG1 4.22Å; I1398-V1470 HydrophobicContact CD1-CG2 3.54Å; I1398-V1470 HydrophobicContact CG1-CG2 4.39Å; L1466-V1470 HydrophobicContact CD1-CG2 3.94Å; L1466-V1470 HydrophobicContact CG-CG2 4.21Å; L1466-V1470 WeakPolarHBondContact O-CB 3.34Å; L1466-V1470 VanDerWaalsContact O-CG2 3.27Å; L1466-V1470 WeakPolarHBondContact O-CG2 3.25Å; L1466-V1470 PolarHBondContact O-N 2.73Å; V1467-V1470 PolarHBondContact O-N 2.74Å; E1468-V1470 PolarHBondContact O-N 2.64Å; V1470-L1473 PolarHBondContact O-N 3.3Å; V1470-Y1474 PolarHBondContact O-N 2.71Å; V1470-Y1474 VanDerWaalsContact O-N 3.14Å; V1470-V1487 HydrophobicContact CB-CG2 4.25Å; V1470-V1487 HydrophobicContact CG1-CG2 3.88Å; V1470-V1487 HydrophobicContact CG2-CG2 4.33Å |
| 1471 | Y | 80.1 | Confident | 72.7 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 14% | 0.137 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 175.8 | -173.2 | -95.4 | 0 | 0 | 0 | 111.7 | V1467 E1468 L1473 Y1474 E1475 L1484 L1491 Q1495 | V1467-Y1471 VanDerWaalsContact O-CB 3.29Å; V1467-Y1471 WeakPolarHBondContact O-CB 3.25Å; V1467-Y1471 PolarHBondContact O-N 3.06Å; E1468-Y1471 PolarHBondContact O-N 2.93Å; Y1471-L1473 PolarHBondContact O-N 3.23Å; Y1471-Y1474 WeakPolarHBondContact O-CB 3.29Å; Y1471-Y1474 PolarHBondContact O-N 2.85Å; Y1471-Y1474 VanDerWaalsContact O-N 3.17Å; Y1471-E1475 HydrophobicContact CD1-CG 4.44Å; Y1471-E1475 HydrophobicContact CE1-CG 3.93Å; Y1471-E1475 WeakPolarHBondContact CE1-OE1 3.38Å; Y1471-E1475 VanDerWaalsContact CE1-OE2 3.27Å; Y1471-E1475 WeakPolarHBondContact CE1-OE2 3.37Å; Y1471-E1475 PolarHBondContact O-N 3.39Å; Y1471-E1475 VanDerWaalsContact O-N 3.11Å; Y1471-E1475 PolarHBondContact OH-OE1 2.88Å; Y1471-L1484 HydrophobicContact CD2-CD2 4.3Å; Y1471-L1491 HydrophobicContact CD2-CD2 3.58Å; Y1471-L1491 HydrophobicContact CE2-CD2 4.44Å; Y1471-L1491 HydrophobicContact CG-CD2 4.17Å; Y1471-Q1495 HydrophobicContact CD2-CG 4.23Å; Y1471-Q1495 HydrophobicContact CE1-CG 4.3Å; Y1471-Q1495 HydrophobicContact CE2-CB 4.06Å; Y1471-Q1495 HydrophobicContact CE2-CG 3.75Å; Y1471-Q1495 VanDerWaalsContact CG-NE2 3.33Å |
| 1472 | R | 77.7 | Confident | 73.2 | Confident | 130 Ų | 130 | 59 Ų | 59 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 171 | -70.9 | -175.6 | -172.5 | -133.9 | 8.8 | 111.9 | E1468 Y1474 E1475 E1476 | E1468-R1472 WeakPolarHBondContact O-CG 3.42Å; E1468-R1472 PolarHBondContact O-N 2.82Å; E1468-R1472 IonicContact OE1-CZ 2.71Å; E1468-R1472 VanDerWaalsContact OE1-CZ 3.22Å; E1468-R1472 IonicContact OE1-NE 3.65Å; E1468-R1472 PolarHBondContact OE1-NE 3.21Å; E1468-R1472 IonicContact OE1-NH2 3.69Å; E1468-R1472 PolarHBondContact OE1-NH2 3Å; R1472-Y1474 PolarHBondContact O-N 3.17Å; R1472-E1475 PolarHBondContact O-N 2.66Å; R1472-E1475 VanDerWaalsContact O-N 3.15Å; R1472-E1476 WeakPolarHBondContact O-CB 3.43Å; R1472-E1476 WeakPolarHBondContact O-CG 3.35Å; R1472-E1476 PolarHBondContact O-N 3Å |
| 1473 | L | 75.8 | Confident | 73.6 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -36.3 | 176.3 | -171.7 | 74.1 | 0 | 0 | 0 | 112.6 | C1386 I1394 R1469 V1470 Y1471 R1477 V1478 | C1386-L1473 HydrophobicContact CB-CD1 4.31Å; I1394-L1473 HydrophobicContact CG2-CD2 4.18Å; R1469-L1473 WeakPolarHBondContact O-CB 3.4Å; R1469-L1473 PolarHBondContact O-N 3.02Å; V1470-L1473 PolarHBondContact O-N 3.3Å; Y1471-L1473 PolarHBondContact O-N 3.23Å; L1473-R1477 HydrophobicContact CD1-CB 4.49Å; L1473-R1477 PolarHBondContact O-N 3.12Å; L1473-V1478 HydrophobicContact CD1-CG2 4.45Å; L1473-V1478 HydrophobicContact CD2-CG2 4.36Å; L1473-V1478 HydrophobicContact CG-CG2 3.99Å; L1473-V1478 PolarHBondContact O-N 3.42Å |
| 1474 | Y | 77.4 | Confident | 74 | Confident | 25 Ų | 25 | 59 Ų | 59 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.1 | -40 | 176.1 | 162.1 | -94 | 0 | 0 | 0 | 113.1 | V1470 Y1471 R1472 V1478 H1479 V1481 L1484 K1502 | V1470-Y1474 PolarHBondContact O-N 2.71Å; V1470-Y1474 VanDerWaalsContact O-N 3.14Å; Y1471-Y1474 WeakPolarHBondContact O-CB 3.29Å; Y1471-Y1474 PolarHBondContact O-N 2.85Å; Y1471-Y1474 VanDerWaalsContact O-N 3.17Å; R1472-Y1474 PolarHBondContact O-N 3.17Å; Y1474-V1478 WeakPolarHBondContact CA-O 3.38Å; Y1474-V1478 WeakPolarHBondContact CD2-O 3.35Å; Y1474-V1478 CarbonylContact O-C 3.29Å; Y1474-H1479 PolarHBondContact O-ND1 2.91Å; Y1474-H1479 VanDerWaalsContact O-ND1 3.11Å; Y1474-V1481 HydrophobicContact CE2-CB 4.46Å; Y1474-V1481 HydrophobicContact CE2-CG2 3.94Å; Y1474-L1484 HydrophobicContact CD1-CD1 3.86Å; Y1474-L1484 HydrophobicContact CD1-CD2 4.45Å; Y1474-L1484 HydrophobicContact CD1-CG 4.45Å; Y1474-L1484 HydrophobicContact CD2-CD1 4.01Å; Y1474-L1484 HydrophobicContact CD2-CG 4.1Å; Y1474-L1484 HydrophobicContact CE1-CD1 3.94Å; Y1474-L1484 HydrophobicContact CE2-CD1 4.11Å; Y1474-L1484 HydrophobicContact CG-CD1 3.9Å; Y1474-L1484 HydrophobicContact CG-CD2 4.1Å; Y1474-L1484 HydrophobicContact CG-CG 4.03Å; Y1474-K1502 PolarHBondContact OH-NZ 3.02Å |
| 1475 | E | 76.6 | Confident | 74.3 | Confident | 106 Ų | 106 | 55 Ų | 55 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.1 | -40.7 | 176.9 | -67.8 | -170.8 | 147 | 0 | 0 | 112.3 | Y1471 R1472 H1479 | Y1471-E1475 HydrophobicContact CD1-CG 4.44Å; Y1471-E1475 HydrophobicContact CE1-CG 3.93Å; Y1471-E1475 WeakPolarHBondContact CE1-OE1 3.38Å; Y1471-E1475 VanDerWaalsContact CE1-OE2 3.27Å; Y1471-E1475 WeakPolarHBondContact CE1-OE2 3.37Å; Y1471-E1475 PolarHBondContact O-N 3.39Å; Y1471-E1475 VanDerWaalsContact O-N 3.11Å; Y1471-E1475 PolarHBondContact OH-OE1 2.88Å; R1472-E1475 PolarHBondContact O-N 2.66Å; R1472-E1475 VanDerWaalsContact O-N 3.15Å; E1475-H1479 PolarHBondContact O-CE1 3.48Å |
| 1476 | E | 75.4 | Confident | 74.4 | Confident | 121 Ų | 121 | 53.6 Ų | 53.6 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -83.2 | -38.1 | -175.3 | -67.7 | 175.5 | -158.2 | 0 | 0 | 114.4 | R1472 | R1472-E1476 WeakPolarHBondContact O-CB 3.43Å; R1472-E1476 WeakPolarHBondContact O-CG 3.35Å; R1472-E1476 PolarHBondContact O-N 3Å |
| 1477 | R | 70.8 | Confident | 74.3 | Confident | 105 Ų | 105 | 53.7 Ų | 53.7 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | -34 | -167.5 | -55.4 | -167.5 | -163.3 | 177.6 | 14.1 | 116.1 | C1386 N1388 L1473 | C1386-R1477 PolarHBondContact O-NH1 3.34Å; N1388-R1477 PolarHBondContact OD1-NH1 3.41Å; L1473-R1477 HydrophobicContact CD1-CB 4.49Å; L1473-R1477 PolarHBondContact O-N 3.12Å |
| 1478 | V | 64.7 | Low | 74.4 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 13% | 0.127 | 23% | 0.234 | C | C | . | . | trans | -123.3 | 76.7 | -166.1 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | E1391 L1473 Y1474 D1480 C1483 | E1391-V1478 HydrophobicContact CB-CG2 3.75Å; E1391-V1478 HydrophobicContact CG-CG2 3.68Å; L1473-V1478 HydrophobicContact CD1-CG2 4.45Å; L1473-V1478 HydrophobicContact CD2-CG2 4.36Å; L1473-V1478 HydrophobicContact CG-CG2 3.99Å; L1473-V1478 PolarHBondContact O-N 3.42Å; Y1474-V1478 WeakPolarHBondContact CA-O 3.38Å; Y1474-V1478 WeakPolarHBondContact CD2-O 3.35Å; Y1474-V1478 CarbonylContact O-C 3.29Å; V1478-D1480 PolarHBondContact O-N 3.36Å; V1478-C1483 HydrophobicContact CG1-CB 4.48Å | ||
| 1479 | H | 71.4 | Confident | 74.3 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 61% | 0.611 | 22% | 0.216 | S | C | * | . | trans | -69.2 | 7 | -175.8 | -50 | -33.4 | 0 | 0 | 0 | 115.6 | Y1474 E1475 V1481 | Y1474-H1479 PolarHBondContact O-ND1 2.91Å; Y1474-H1479 VanDerWaalsContact O-ND1 3.11Å; E1475-H1479 PolarHBondContact O-CE1 3.48Å; H1479-V1481 PolarHBondContact O-N 3.43Å | ||
| 1480 | D | 72.7 | Confident | 74.2 | Confident | 63 Ų | 63 | 47.3 Ų | 47.3 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | trans | -80.6 | 105.6 | 174.6 | -175.8 | -6 | 0 | 0 | 0 | 110.9 | V1478 R1482 C1483 | V1478-D1480 PolarHBondContact O-N 3.36Å; D1480-R1482 PolarHBondContact O-N 2.9Å; D1480-R1482 VanDerWaalsContact OD1-CB 3.26Å; D1480-R1482 WeakPolarHBondContact OD1-CB 3.47Å; D1480-R1482 VanDerWaalsContact OD1-CG 3.27Å; D1480-R1482 WeakPolarHBondContact OD1-CG 2.97Å; D1480-R1482 IonicContact OD1-CZ 3.72Å; D1480-R1482 PolarHBondContact OD1-N 3.44Å; D1480-R1482 IonicContact OD1-NE 2.73Å; D1480-R1482 PolarHBondContact OD1-NE 3.38Å; D1480-R1482 IonicContact OD1-NH2 3.98Å; D1480-R1482 IonicContact OD2-CZ 3.75Å; D1480-R1482 IonicContact OD2-NE 3.25Å; D1480-R1482 PolarHBondContact OD2-NE 3.05Å; D1480-R1482 IonicContact OD2-NH2 2.8Å; D1480-R1482 PolarHBondContact OD2-NH2 3.11Å; D1480-C1483 PolarHBondContact O-N 3.38Å; D1480-C1483 PolarHBondContact O-SG 3.41Å | ||
| 1481 | V | 76 | Confident | 74.3 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -53.8 | -19.7 | -179.1 | -170.4 | 0 | 0 | 0 | 0 | 113.1 | Y1474 H1479 C1483 L1484 K1502 L1503 | Y1474-V1481 HydrophobicContact CE2-CB 4.46Å; Y1474-V1481 HydrophobicContact CE2-CG2 3.94Å; H1479-V1481 PolarHBondContact O-N 3.43Å; V1481-C1483 PolarHBondContact O-N 3.31Å; V1481-L1484 WeakPolarHBondContact O-CB 2.92Å; V1481-L1484 PolarHBondContact O-N 2.89Å; V1481-L1484 VanDerWaalsContact O-N 3.1Å; V1481-K1502 HydrophobicContact CG1-CB 4.32Å; V1481-K1502 HydrophobicContact CG2-CB 3.89Å; V1481-K1502 HydrophobicContact CG2-CD 3.53Å; V1481-K1502 HydrophobicContact CG2-CG 4.38Å; V1481-L1503 HydrophobicContact CG1-CD2 3.7Å; V1481-L1503 HydrophobicContact CG1-CG 3.9Å |
| 1482 | R | 71.4 | Confident | 74.2 | Confident | 153 Ų | 153 | 48.2 Ų | 48.2 | 58% | 0.577 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -62.6 | -24.6 | 175 | -63.7 | 177.8 | -67.8 | -177.9 | 1.6 | 113.4 | D1480 L1484 I1485 P1486 | D1480-R1482 PolarHBondContact O-N 2.9Å; D1480-R1482 VanDerWaalsContact OD1-CB 3.26Å; D1480-R1482 WeakPolarHBondContact OD1-CB 3.47Å; D1480-R1482 VanDerWaalsContact OD1-CG 3.27Å; D1480-R1482 WeakPolarHBondContact OD1-CG 2.97Å; D1480-R1482 IonicContact OD1-CZ 3.72Å; D1480-R1482 PolarHBondContact OD1-N 3.44Å; D1480-R1482 IonicContact OD1-NE 2.73Å; D1480-R1482 PolarHBondContact OD1-NE 3.38Å; D1480-R1482 IonicContact OD1-NH2 3.98Å; D1480-R1482 IonicContact OD2-CZ 3.75Å; D1480-R1482 IonicContact OD2-NE 3.25Å; D1480-R1482 PolarHBondContact OD2-NE 3.05Å; D1480-R1482 IonicContact OD2-NH2 2.8Å; D1480-R1482 PolarHBondContact OD2-NH2 3.11Å; R1482-L1484 VanDerWaalsContact C-N 3.25Å; R1482-L1484 PolarHBondContact O-N 3.28Å; R1482-I1485 HydrophobicContact CB-CD1 4.37Å; R1482-I1485 HydrophobicContact CG-CD1 4.28Å; R1482-I1485 PolarHBondContact O-N 3.4Å; R1482-P1486 VanDerWaalsContact O-CD 3.31Å; R1482-P1486 WeakPolarHBondContact O-CD 3.25Å |
| 1483 | C | 72.3 | Confident | 74.1 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -67.8 | -25 | 174.4 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | T1395 V1478 D1480 V1481 P1486 | T1395-C1483 HydrophobicContact CG2-CB 4.37Å; V1478-C1483 HydrophobicContact CG1-CB 4.48Å; D1480-C1483 PolarHBondContact O-N 3.38Å; D1480-C1483 PolarHBondContact O-SG 3.41Å; V1481-C1483 PolarHBondContact O-N 3.31Å; C1483-P1486 WeakPolarHBondContact O-CD 3.09Å |
| 1484 | L | 78.3 | Confident | 74.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -81.6 | -20.9 | 178.2 | -61.5 | -179.6 | 0 | 0 | 0 | 113.2 | Y1471 Y1474 V1481 R1482 V1487 I1488 L1491 | Y1471-L1484 HydrophobicContact CD2-CD2 4.3Å; Y1474-L1484 HydrophobicContact CD1-CD1 3.86Å; Y1474-L1484 HydrophobicContact CD1-CD2 4.45Å; Y1474-L1484 HydrophobicContact CD1-CG 4.45Å; Y1474-L1484 HydrophobicContact CD2-CD1 4.01Å; Y1474-L1484 HydrophobicContact CD2-CG 4.1Å; Y1474-L1484 HydrophobicContact CE1-CD1 3.94Å; Y1474-L1484 HydrophobicContact CE2-CD1 4.11Å; Y1474-L1484 HydrophobicContact CG-CD1 3.9Å; Y1474-L1484 HydrophobicContact CG-CD2 4.1Å; Y1474-L1484 HydrophobicContact CG-CG 4.03Å; V1481-L1484 WeakPolarHBondContact O-CB 2.92Å; V1481-L1484 PolarHBondContact O-N 2.89Å; V1481-L1484 VanDerWaalsContact O-N 3.1Å; R1482-L1484 VanDerWaalsContact C-N 3.25Å; R1482-L1484 PolarHBondContact O-N 3.28Å; L1484-V1487 CarbonylContact O-C 3.58Å; L1484-V1487 PolarHBondContact O-N 2.83Å; L1484-I1488 WeakPolarHBondContact O-CB 3.45Å; L1484-I1488 PolarHBondContact O-N 2.87Å; L1484-L1491 HydrophobicContact CB-CD1 4.37Å; L1484-L1491 HydrophobicContact CD2-CD1 4.49Å |
| 1485 | I | 76.4 | Confident | 74.3 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -44.7 | -179 | -63.1 | 174.5 | 0 | 0 | 0 | 112.5 | R1482 V1487 I1488 L1503 L1506 V1510 V1514 | R1482-I1485 HydrophobicContact CB-CD1 4.37Å; R1482-I1485 HydrophobicContact CG-CD1 4.28Å; R1482-I1485 PolarHBondContact O-N 3.4Å; I1485-V1487 VanDerWaalsContact C-N 3.29Å; I1485-V1487 PolarHBondContact O-N 2.92Å; I1485-I1488 WeakPolarHBondContact O-CG2 3.06Å; I1485-L1503 HydrophobicContact CD1-CD2 4.31Å; I1485-L1503 HydrophobicContact CG1-CD2 3.8Å; I1485-L1506 HydrophobicContact CD1-CD1 3.87Å; I1485-V1510 HydrophobicContact CD1-CG1 3.47Å; I1485-V1510 VanDerWaalsContact CD1-CG1 3.47Å; I1485-V1514 HydrophobicContact CB-CG2 4.44Å; I1485-V1514 HydrophobicContact CD1-CG2 4Å; I1485-V1514 HydrophobicContact CG1-CG2 3.88Å; I1485-V1514 HydrophobicContact CG2-CG2 3.87Å |
| 1486 | P | 71.2 | Confident | 74.5 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.071 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -46.6 | 164.2 | -38.5 | 41.2 | 0 | 0 | 0 | 115.6 | I1398 H1399 T1402 R1482 C1483 | I1398-P1486 HydrophobicContact CG2-CB 3.74Å; H1399-P1486 HydrophobicContact CB-CG 4.18Å; T1402-P1486 WeakPolarHBondContact CB-O 3.39Å; T1402-P1486 HydrophobicContact CG2-CB 4.04Å; T1402-P1486 VanDerWaalsContact CG2-O 3.26Å; T1402-P1486 WeakPolarHBondContact CG2-O 3.31Å; T1402-P1486 VanDerWaalsContact OG1-CA 3.31Å; T1402-P1486 WeakPolarHBondContact OG1-CA 3.34Å; T1402-P1486 WeakPolarHBondContact OG1-CB 3.25Å; R1482-P1486 VanDerWaalsContact O-CD 3.31Å; R1482-P1486 WeakPolarHBondContact O-CD 3.25Å; C1483-P1486 WeakPolarHBondContact O-CD 3.09Å |
| 1487 | V | 73.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -4.5 | -164 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | I1398 P1462 V1467 V1470 L1484 I1485 V1489 G1490 L1491 | I1398-V1487 HydrophobicContact CG2-CG2 3.58Å; P1462-V1487 HydrophobicContact CG-CG1 4.19Å; V1467-V1487 HydrophobicContact CB-CG1 4.05Å; V1467-V1487 HydrophobicContact CG1-CG1 4.12Å; V1467-V1487 HydrophobicContact CG2-CG1 3.74Å; V1470-V1487 HydrophobicContact CB-CG2 4.25Å; V1470-V1487 HydrophobicContact CG1-CG2 3.88Å; V1470-V1487 HydrophobicContact CG2-CG2 4.33Å; L1484-V1487 CarbonylContact O-C 3.58Å; L1484-V1487 PolarHBondContact O-N 2.83Å; I1485-V1487 VanDerWaalsContact C-N 3.29Å; I1485-V1487 PolarHBondContact O-N 2.92Å; V1487-V1489 PolarHBondContact O-N 3.25Å; V1487-G1490 PolarHBondContact O-N 3.48Å; V1487-L1491 PolarHBondContact O-N 3.35Å |
| 1488 | I | 76.7 | Confident | 75.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.7 | -171 | -156.5 | -178.1 | 0 | 0 | 0 | 115.1 | L1484 I1485 L1491 V1496 L1503 V1514 L1518 | L1484-I1488 WeakPolarHBondContact O-CB 3.45Å; L1484-I1488 PolarHBondContact O-N 2.87Å; I1485-I1488 WeakPolarHBondContact O-CG2 3.06Å; I1488-L1491 HydrophobicContact CG1-CD1 4.39Å; I1488-V1496 HydrophobicContact CG1-CG1 4.49Å; I1488-V1496 HydrophobicContact CG1-CG2 4.29Å; I1488-L1503 HydrophobicContact CD1-CD1 3.48Å; I1488-L1503 VanDerWaalsContact CD1-CD1 3.48Å; I1488-V1514 HydrophobicContact CD1-CG1 3.73Å; I1488-L1518 HydrophobicContact CD1-CD1 3.91Å; I1488-L1518 HydrophobicContact CD1-CD2 4.08Å; I1488-L1518 HydrophobicContact CD1-CG 4.05Å; I1488-L1518 HydrophobicContact CG1-CD2 4.08Å; I1488-L1518 HydrophobicContact CG2-CD2 4.42Å |
| 1489 | V | 73.8 | Confident | 75.9 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -29 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 112.6 | V1459 I1461 V1487 A1521 P1550 | V1459-V1489 HydrophobicContact CG1-CB 4.38Å; V1459-V1489 HydrophobicContact CG1-CG1 3.91Å; V1459-V1489 HydrophobicContact CG1-CG2 3.64Å; I1461-V1489 HydrophobicContact CB-CG1 4.37Å; I1461-V1489 HydrophobicContact CG1-CG1 4Å; I1461-V1489 HydrophobicContact CG2-CG1 4.42Å; V1487-V1489 PolarHBondContact O-N 3.25Å; V1489-A1521 HydrophobicContact CB-CB 4.42Å; V1489-A1521 HydrophobicContact CG1-CB 3.8Å; V1489-A1521 HydrophobicContact CG2-CB 4.12Å; V1489-P1550 VanDerWaalsContact O-CD 3.25Å; V1489-P1550 WeakPolarHBondContact O-CD 3.35Å |
| 1490 | G | 69.7 | Low | 76.4 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -11.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1467 V1487 | V1467-G1490 WeakPolarHBondContact CG1-O 3.23Å; V1487-G1490 PolarHBondContact O-N 3.48Å |
| 1491 | L | 77.5 | Confident | 76.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -60.6 | 146.1 | 175.4 | -74 | 178.4 | 0 | 0 | 0 | 111.3 | V1467 Y1471 L1484 V1487 I1488 Q1495 V1496 P1550 | V1467-L1491 HydrophobicContact CG1-CD2 3.76Å; V1467-L1491 HydrophobicContact CG1-CG 4.34Å; Y1471-L1491 HydrophobicContact CD2-CD2 3.58Å; Y1471-L1491 HydrophobicContact CE2-CD2 4.44Å; Y1471-L1491 HydrophobicContact CG-CD2 4.17Å; L1484-L1491 HydrophobicContact CB-CD1 4.37Å; L1484-L1491 HydrophobicContact CD2-CD1 4.49Å; V1487-L1491 PolarHBondContact O-N 3.35Å; I1488-L1491 HydrophobicContact CG1-CD1 4.39Å; L1491-Q1495 HydrophobicContact CB-CB 4.11Å; L1491-Q1495 HydrophobicContact CD2-CB 4.25Å; L1491-V1496 HydrophobicContact CB-CG2 3.61Å; L1491-P1550 WeakPolarHBondContact O-CB 3.28Å; L1491-P1550 WeakPolarHBondContact O-CG 3.46Å |
| 1492 | S | 78.2 | Confident | 76.8 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 38% | 0.378 | 20% | 0.202 | S | C | . | . | trans | -63.7 | 155.9 | 178.4 | 88 | 0 | 0 | 0 | 0 | 111.9 | Q1494 Q1495 V1496 | S1492-Q1494 PolarHBondContact O-N 3.46Å; S1492-Q1494 VanDerWaalsContact O-N 3.11Å; S1492-Q1494 PolarHBondContact OG-N 2.9Å; S1492-Q1495 PolarHBondContact O-N 2.9Å; S1492-Q1495 WeakPolarHBondContact OG-CG 3.31Å; S1492-Q1495 PolarHBondContact OG-N 2.94Å; S1492-Q1495 PolarHBondContact OG-OE1 3.13Å; S1492-V1496 WeakPolarHBondContact O-CG2 3.49Å; S1492-V1496 PolarHBondContact O-N 2.97Å | ||
| 1493 | K | 76.9 | Confident | 77.2 | Confident | 87 Ų | 87 | 32.9 Ų | 32.9 | 38% | 0.378 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -48.9 | -40.5 | 176.4 | -178.1 | 164.6 | 175.9 | 170.9 | 0 | 113 | I1497 P1550 L1551 E1555 | K1493-I1497 HydrophobicContact CG-CD1 3.97Å; K1493-I1497 WeakPolarHBondContact O-CB 3.35Å; K1493-I1497 WeakPolarHBondContact O-CD1 3.4Å; K1493-I1497 WeakPolarHBondContact O-CG1 3.39Å; K1493-I1497 PolarHBondContact O-N 3.11Å; K1493-I1497 VanDerWaalsContact O-N 3.09Å; K1493-P1550 VanDerWaalsContact CB-O 3.28Å; K1493-P1550 WeakPolarHBondContact CB-O 3.47Å; K1493-P1550 WeakPolarHBondContact CG-O 3.34Å; K1493-L1551 HydrophobicContact CG-CG 4.32Å; K1493-E1555 WeakPolarHBondContact CE-OE2 3.4Å; K1493-E1555 IonicContact NZ-OE1 3.8Å; K1493-E1555 PolarHBondContact NZ-OE1 2.8Å; K1493-E1555 IonicContact NZ-OE2 2.69Å; K1493-E1555 PolarHBondContact NZ-OE2 3.04Å |
| 1494 | Q | 77 | Confident | 77.6 | Confident | 151 Ų | 151 | 32.8 Ų | 32.8 | 71% | 0.706 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -71.7 | -44.1 | 177.5 | -66.3 | -178.8 | -2.9 | 0 | 0 | 112 | S1492 V1496 I1497 N1498 | S1492-Q1494 PolarHBondContact O-N 3.46Å; S1492-Q1494 VanDerWaalsContact O-N 3.11Å; S1492-Q1494 PolarHBondContact OG-N 2.9Å; Q1494-V1496 PolarHBondContact O-N 2.98Å; Q1494-I1497 PolarHBondContact O-N 2.93Å; Q1494-N1498 WeakPolarHBondContact O-CB 3.17Å; Q1494-N1498 PolarHBondContact O-N 3.18Å; Q1494-N1498 PolarHBondContact O-OD1 3.34Å |
| 1495 | Q | 80.2 | Confident | 77.7 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 20% | 0.201 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.6 | -72.2 | 167.9 | -37.8 | 0 | 0 | 111.8 | Y1471 L1491 S1492 N1498 A1499 | Y1471-Q1495 HydrophobicContact CD2-CG 4.23Å; Y1471-Q1495 HydrophobicContact CE1-CG 4.3Å; Y1471-Q1495 HydrophobicContact CE2-CB 4.06Å; Y1471-Q1495 HydrophobicContact CE2-CG 3.75Å; Y1471-Q1495 VanDerWaalsContact CG-NE2 3.33Å; L1491-Q1495 HydrophobicContact CB-CB 4.11Å; L1491-Q1495 HydrophobicContact CD2-CB 4.25Å; S1492-Q1495 PolarHBondContact O-N 2.9Å; S1492-Q1495 WeakPolarHBondContact OG-CG 3.31Å; S1492-Q1495 PolarHBondContact OG-N 2.94Å; S1492-Q1495 PolarHBondContact OG-OE1 3.13Å; Q1495-N1498 PolarHBondContact O-N 2.83Å; Q1495-A1499 WeakPolarHBondContact O-CB 3.42Å; Q1495-A1499 PolarHBondContact O-N 3.34Å |
| 1496 | V | 79.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | I1488 L1491 S1492 Q1494 N1498 A1499 L1500 L1518 P1550 L1551 | I1488-V1496 HydrophobicContact CG1-CG1 4.49Å; I1488-V1496 HydrophobicContact CG1-CG2 4.29Å; L1491-V1496 HydrophobicContact CB-CG2 3.61Å; S1492-V1496 WeakPolarHBondContact O-CG2 3.49Å; S1492-V1496 PolarHBondContact O-N 2.97Å; Q1494-V1496 PolarHBondContact O-N 2.98Å; V1496-N1498 VanDerWaalsContact C-N 3.32Å; V1496-N1498 PolarHBondContact O-N 3.3Å; V1496-A1499 PolarHBondContact O-N 2.99Å; V1496-L1500 WeakPolarHBondContact O-CB 3.29Å; V1496-L1500 PolarHBondContact O-N 3.39Å; V1496-L1518 HydrophobicContact CG1-CD1 4.22Å; V1496-L1518 HydrophobicContact CG1-CD2 4.01Å; V1496-P1550 HydrophobicContact CG2-CB 4.27Å; V1496-P1550 HydrophobicContact CG2-CG 4.04Å; V1496-L1551 HydrophobicContact CB-CD1 3.79Å; V1496-L1551 HydrophobicContact CG1-CD1 3.53Å |
| 1497 | I | 81 | Confident | 78.2 | Confident | 66 Ų | 66 | 43.6 Ų | 43.6 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.5 | -72.3 | 167.4 | 0 | 0 | 0 | 111.5 | K1493 Q1494 L1500 P1501 L1551 | K1493-I1497 HydrophobicContact CG-CD1 3.97Å; K1493-I1497 WeakPolarHBondContact O-CB 3.35Å; K1493-I1497 WeakPolarHBondContact O-CD1 3.4Å; K1493-I1497 WeakPolarHBondContact O-CG1 3.39Å; K1493-I1497 PolarHBondContact O-N 3.11Å; K1493-I1497 VanDerWaalsContact O-N 3.09Å; Q1494-I1497 PolarHBondContact O-N 2.93Å; I1497-L1500 PolarHBondContact O-N 2.96Å; I1497-P1501 VanDerWaalsContact O-CD 3.27Å; I1497-P1501 WeakPolarHBondContact O-CD 3.5Å; I1497-L1551 HydrophobicContact CD1-CD2 4.32Å; I1497-L1551 HydrophobicContact CG1-CD2 4.09Å |
| 1498 | N | 80.4 | Confident | 78.3 | Confident | 111 Ų | 111 | 49.5 Ų | 49.5 | 59% | 0.594 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -70.6 | -31.9 | 178 | -68.3 | -9.2 | 0 | 0 | 0 | 112.7 | Q1494 Q1495 V1496 P1501 | Q1494-N1498 WeakPolarHBondContact O-CB 3.17Å; Q1494-N1498 PolarHBondContact O-N 3.18Å; Q1494-N1498 PolarHBondContact O-OD1 3.34Å; Q1495-N1498 PolarHBondContact O-N 2.83Å; V1496-N1498 VanDerWaalsContact C-N 3.32Å; V1496-N1498 PolarHBondContact O-N 3.3Å; N1498-P1501 WeakPolarHBondContact O-CD 3.4Å |
| 1499 | A | 78.8 | Confident | 78.3 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.3 | -28.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1495 V1496 P1501 K1502 L1503 | Q1495-A1499 WeakPolarHBondContact O-CB 3.42Å; Q1495-A1499 PolarHBondContact O-N 3.34Å; V1496-A1499 PolarHBondContact O-N 2.99Å; A1499-P1501 VanDerWaalsContact C-CD 3.43Å; A1499-K1502 PolarHBondContact O-N 3.1Å; A1499-L1503 HydrophobicContact CB-CD1 3.86Å; A1499-L1503 HydrophobicContact CB-CG 4.43Å; A1499-L1503 WeakPolarHBondContact O-CG 3.33Å; A1499-L1503 PolarHBondContact O-N 2.98Å |
| 1500 | L | 81.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52 | -41.5 | -174 | -167.8 | 67.8 | 0 | 0 | 0 | 114.9 | V1496 I1497 K1502 L1503 I1504 L1556 A1559 I1560 L1563 | V1496-L1500 WeakPolarHBondContact O-CB 3.29Å; V1496-L1500 PolarHBondContact O-N 3.39Å; I1497-L1500 PolarHBondContact O-N 2.96Å; L1500-K1502 VanDerWaalsContact C-N 3.33Å; L1500-K1502 PolarHBondContact O-N 2.88Å; L1500-L1503 PolarHBondContact O-N 3.15Å; L1500-I1504 HydrophobicContact CD1-CD1 3.81Å; L1500-I1504 HydrophobicContact CD1-CG1 4.33Å; L1500-I1504 HydrophobicContact CG-CD1 3.85Å; L1500-I1504 PolarHBondContact O-N 2.98Å; L1500-L1556 HydrophobicContact CD1-CD1 4.46Å; L1500-A1559 HydrophobicContact CD2-CB 4.07Å; L1500-I1560 HydrophobicContact CD2-CG1 4.23Å; L1500-L1563 HydrophobicContact CD2-CD1 4.12Å; L1500-L1563 HydrophobicContact CD2-CD2 4.5Å; L1500-L1563 HydrophobicContact CG-CD1 4.17Å |
| 1501 | P | 80.5 | Confident | 78.9 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -36.7 | 176.2 | -19.7 | 29 | 0 | 0 | 0 | 113.5 | I1497 N1498 A1499 Q1505 L1563 Y1584 V1585 | I1497-P1501 VanDerWaalsContact O-CD 3.27Å; I1497-P1501 WeakPolarHBondContact O-CD 3.5Å; N1498-P1501 WeakPolarHBondContact O-CD 3.4Å; A1499-P1501 VanDerWaalsContact C-CD 3.43Å; P1501-Q1505 WeakPolarHBondContact O-CG 3.27Å; P1501-Q1505 PolarHBondContact O-NE2 2.68Å; P1501-L1563 HydrophobicContact CB-CD2 4.21Å; P1501-L1563 HydrophobicContact CG-CD2 3.7Å; P1501-Y1584 HydrophobicContact CB-CD1 3.83Å; P1501-Y1584 HydrophobicContact CB-CE1 3.41Å; P1501-Y1584 VanDerWaalsContact CB-CE1 3.41Å; P1501-Y1584 HydrophobicContact CG-CE1 4.11Å; P1501-V1585 HydrophobicContact CB-CG2 3.95Å |
| 1502 | K | 77.5 | Confident | 79 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -76.6 | -40 | 177.7 | -59.6 | -171.1 | -176.8 | -175.9 | 0 | 110.8 | Y1474 V1481 A1499 L1500 I1504 Q1505 | Y1474-K1502 PolarHBondContact OH-NZ 3.02Å; V1481-K1502 HydrophobicContact CG1-CB 4.32Å; V1481-K1502 HydrophobicContact CG2-CB 3.89Å; V1481-K1502 HydrophobicContact CG2-CD 3.53Å; V1481-K1502 HydrophobicContact CG2-CG 4.38Å; A1499-K1502 PolarHBondContact O-N 3.1Å; L1500-K1502 VanDerWaalsContact C-N 3.33Å; L1500-K1502 PolarHBondContact O-N 2.88Å; K1502-I1504 PolarHBondContact O-N 3.49Å; K1502-Q1505 PolarHBondContact O-N 3.43Å |
| 1503 | L | 79.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 178.7 | -72.5 | 164.8 | 0 | 0 | 0 | 112.7 | V1481 I1485 I1488 A1499 L1500 Q1505 L1506 V1511 V1514 | V1481-L1503 HydrophobicContact CG1-CD2 3.7Å; V1481-L1503 HydrophobicContact CG1-CG 3.9Å; I1485-L1503 HydrophobicContact CD1-CD2 4.31Å; I1485-L1503 HydrophobicContact CG1-CD2 3.8Å; I1488-L1503 HydrophobicContact CD1-CD1 3.48Å; I1488-L1503 VanDerWaalsContact CD1-CD1 3.48Å; A1499-L1503 HydrophobicContact CB-CD1 3.86Å; A1499-L1503 HydrophobicContact CB-CG 4.43Å; A1499-L1503 WeakPolarHBondContact O-CG 3.33Å; A1499-L1503 PolarHBondContact O-N 2.98Å; L1500-L1503 PolarHBondContact O-N 3.15Å; L1503-Q1505 PolarHBondContact O-N 2.99Å; L1503-L1506 HydrophobicContact CD2-CD1 4.09Å; L1503-L1506 WeakPolarHBondContact O-CB 3.37Å; L1503-L1506 WeakPolarHBondContact O-CG 3.41Å; L1503-L1506 PolarHBondContact O-N 3.1Å; L1503-V1511 WeakPolarHBondContact O-CG2 3.48Å; L1503-V1514 HydrophobicContact CB-CG1 4.41Å; L1503-V1514 HydrophobicContact CD1-CG1 4.21Å; L1503-V1514 HydrophobicContact CD2-CG1 4.36Å; L1503-V1514 HydrophobicContact CD2-CG2 4.2Å |
| 1504 | I | 80.4 | Confident | 79 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -9.8 | 179.7 | -75 | 170.9 | 0 | 0 | 0 | 113.3 | L1500 K1502 V1511 I1560 L1563 V1585 A1593 | L1500-I1504 HydrophobicContact CD1-CD1 3.81Å; L1500-I1504 HydrophobicContact CD1-CG1 4.33Å; L1500-I1504 HydrophobicContact CG-CD1 3.85Å; L1500-I1504 PolarHBondContact O-N 2.98Å; K1502-I1504 PolarHBondContact O-N 3.49Å; I1504-V1511 HydrophobicContact CG1-CG1 4.45Å; I1504-I1560 HydrophobicContact CD1-CG1 4.21Å; I1504-L1563 HydrophobicContact CD1-CD1 3.51Å; I1504-V1585 HydrophobicContact CG2-CG1 3.87Å; I1504-A1593 HydrophobicContact CD1-CB 4.13Å |
| 1505 | Q | 81.6 | Confident | 79.2 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 46% | 0.458 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.4 | 171.8 | -68.3 | 178.3 | 73.7 | 0 | 0 | 113.4 | P1501 K1502 L1503 Y1584 | P1501-Q1505 WeakPolarHBondContact O-CG 3.27Å; P1501-Q1505 PolarHBondContact O-NE2 2.68Å; K1502-Q1505 PolarHBondContact O-N 3.43Å; L1503-Q1505 PolarHBondContact O-N 2.99Å; Q1505-Y1584 PolarHBondContact NE2-O 3.36Å |
| 1506 | L | 78.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 53 Ų | 53 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -75.3 | 174.4 | 174.3 | -59.4 | 177.3 | 0 | 0 | 0 | 112.1 | I1485 L1503 V1510 V1511 | I1485-L1506 HydrophobicContact CD1-CD1 3.87Å; L1503-L1506 HydrophobicContact CD2-CD1 4.09Å; L1503-L1506 WeakPolarHBondContact O-CB 3.37Å; L1503-L1506 WeakPolarHBondContact O-CG 3.41Å; L1503-L1506 PolarHBondContact O-N 3.1Å; L1506-V1510 HydrophobicContact CB-CB 4.29Å; L1506-V1510 HydrophobicContact CB-CG1 4.26Å; L1506-V1510 HydrophobicContact CD1-CG1 3.87Å; L1506-V1511 HydrophobicContact CB-CG2 4.33Å; L1506-V1511 VanDerWaalsContact O-CG2 3.29Å; L1506-V1511 WeakPolarHBondContact O-CG2 3.27Å |
| 1507 | N | 77.9 | Confident | 78.8 | Confident | 105 Ų | 105 | 54.4 Ų | 54.4 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | trans | -55.8 | 138.6 | 176.5 | -177.6 | -26.3 | 0 | 0 | 0 | 111.5 | K1509 V1510 V1511 | N1507-K1509 PolarHBondContact O-N 2.87Å; N1507-K1509 PolarHBondContact OD1-N 3.45Å; N1507-V1510 HydrophobicContact CB-CG2 4.26Å; N1507-V1510 WeakPolarHBondContact O-CA 3.08Å; N1507-V1510 WeakPolarHBondContact O-CB 3.5Å; N1507-V1510 PolarHBondContact O-N 3.03Å; N1507-V1511 PolarHBondContact O-N 2.9Å | ||
| 1508 | E | 77.1 | Confident | 78.6 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 58% | 0.584 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -45.3 | -39 | -179.5 | -166.1 | 179.9 | -173.4 | 0 | 0 | 113.9 | K1512 H1592 | E1508-K1512 WeakPolarHBondContact O-CB 3.38Å; E1508-K1512 PolarHBondContact O-N 3.28Å; E1508-H1592 WeakPolarHBondContact CG-CE1 3.42Å; E1508-H1592 IonicContact OE1-CE1 2.68Å; E1508-H1592 PolarHBondContact OE1-CE1 3.49Å; E1508-H1592 IonicContact OE1-ND1 2.77Å; E1508-H1592 PolarHBondContact OE1-ND1 3.06Å; E1508-H1592 VanDerWaalsContact OE1-ND1 3.16Å |
| 1509 | K | 75.2 | Confident | 78.5 | Confident | 167 Ų | 167 | 46.2 Ų | 46.2 | 73% | 0.726 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62 | -43.8 | 175.6 | -64.9 | -176.6 | -179.6 | 179.9 | 0 | 112.5 | N1507 E1513 | N1507-K1509 PolarHBondContact O-N 2.87Å; N1507-K1509 PolarHBondContact OD1-N 3.45Å; K1509-E1513 WeakPolarHBondContact O-CB 3.37Å; K1509-E1513 PolarHBondContact O-N 3.24Å |
| 1510 | V | 76.8 | Confident | 78 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74 | -39.8 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | I1485 L1506 N1507 K1512 E1513 V1514 | I1485-V1510 HydrophobicContact CD1-CG1 3.47Å; I1485-V1510 VanDerWaalsContact CD1-CG1 3.47Å; L1506-V1510 HydrophobicContact CB-CB 4.29Å; L1506-V1510 HydrophobicContact CB-CG1 4.26Å; L1506-V1510 HydrophobicContact CD1-CG1 3.87Å; N1507-V1510 HydrophobicContact CB-CG2 4.26Å; N1507-V1510 WeakPolarHBondContact O-CA 3.08Å; N1507-V1510 WeakPolarHBondContact O-CB 3.5Å; N1507-V1510 PolarHBondContact O-N 3.03Å; V1510-K1512 VanDerWaalsContact C-N 3.34Å; V1510-K1512 PolarHBondContact O-N 3.36Å; V1510-E1513 PolarHBondContact O-N 3.12Å; V1510-V1514 HydrophobicContact CG1-CG2 4.26Å; V1510-V1514 WeakPolarHBondContact O-CB 3.38Å; V1510-V1514 VanDerWaalsContact O-CG2 3.27Å; V1510-V1514 WeakPolarHBondContact O-CG2 3.42Å; V1510-V1514 PolarHBondContact O-N 3.31Å |
| 1511 | V | 80.3 | Confident | 77.3 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 173.6 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | L1503 I1504 L1506 N1507 L1515 | L1503-V1511 WeakPolarHBondContact O-CG2 3.48Å; I1504-V1511 HydrophobicContact CG1-CG1 4.45Å; L1506-V1511 HydrophobicContact CB-CG2 4.33Å; L1506-V1511 VanDerWaalsContact O-CG2 3.29Å; L1506-V1511 WeakPolarHBondContact O-CG2 3.27Å; N1507-V1511 PolarHBondContact O-N 2.9Å; V1511-L1515 HydrophobicContact CG1-CD1 3.87Å; V1511-L1515 HydrophobicContact CG1-CG 4.46Å; V1511-L1515 WeakPolarHBondContact O-CB 3.26Å; V1511-L1515 VanDerWaalsContact O-CG 3.27Å; V1511-L1515 WeakPolarHBondContact O-CG 3.46Å; V1511-L1515 PolarHBondContact O-N 3.05Å |
| 1512 | K | 79.7 | Confident | 76.6 | Confident | 124 Ų | 124 | 48.1 Ų | 48.1 | 54% | 0.539 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.8 | -176.2 | -177.4 | 176.7 | -174.9 | 0 | 111.5 | E1508 V1510 L1515 T1516 V1596 | E1508-K1512 WeakPolarHBondContact O-CB 3.38Å; E1508-K1512 PolarHBondContact O-N 3.28Å; V1510-K1512 VanDerWaalsContact C-N 3.34Å; V1510-K1512 PolarHBondContact O-N 3.36Å; K1512-L1515 PolarHBondContact O-N 3.36Å; K1512-T1516 WeakPolarHBondContact O-CB 3.43Å; K1512-T1516 PolarHBondContact O-N 3Å; K1512-T1516 PolarHBondContact O-OG1 3.45Å; K1512-T1516 VanDerWaalsContact O-OG1 3.14Å; K1512-V1596 HydrophobicContact CG-CG1 4.26Å |
| 1513 | E | 75.9 | Confident | 75.7 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 178.9 | 175 | 164.5 | -152.4 | 0 | 0 | 112.7 | K1509 V1510 L1515 T1516 R1517 | K1509-E1513 WeakPolarHBondContact O-CB 3.37Å; K1509-E1513 PolarHBondContact O-N 3.24Å; V1510-E1513 PolarHBondContact O-N 3.12Å; E1513-L1515 PolarHBondContact O-N 3.32Å; E1513-T1516 PolarHBondContact O-N 3.03Å; E1513-R1517 HydrophobicContact CG-CG 4.41Å; E1513-R1517 WeakPolarHBondContact O-CB 3.49Å; E1513-R1517 WeakPolarHBondContact O-CG 3.3Å; E1513-R1517 PolarHBondContact O-N 3.18Å; E1513-R1517 IonicContact OE1-CZ 3.94Å; E1513-R1517 IonicContact OE1-NE 2.97Å; E1513-R1517 PolarHBondContact OE1-NE 3.19Å; E1513-R1517 IonicContact OE1-NH2 2.79Å; E1513-R1517 PolarHBondContact OE1-NH2 3.09Å |
| 1514 | V | 78.8 | Confident | 74.3 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -46.7 | 176.6 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | I1485 I1488 L1503 V1510 R1517 L1518 | I1485-V1514 HydrophobicContact CB-CG2 4.44Å; I1485-V1514 HydrophobicContact CD1-CG2 4Å; I1485-V1514 HydrophobicContact CG1-CG2 3.88Å; I1485-V1514 HydrophobicContact CG2-CG2 3.87Å; I1488-V1514 HydrophobicContact CD1-CG1 3.73Å; L1503-V1514 HydrophobicContact CB-CG1 4.41Å; L1503-V1514 HydrophobicContact CD1-CG1 4.21Å; L1503-V1514 HydrophobicContact CD2-CG1 4.36Å; L1503-V1514 HydrophobicContact CD2-CG2 4.2Å; V1510-V1514 HydrophobicContact CG1-CG2 4.26Å; V1510-V1514 WeakPolarHBondContact O-CB 3.38Å; V1510-V1514 VanDerWaalsContact O-CG2 3.27Å; V1510-V1514 WeakPolarHBondContact O-CG2 3.42Å; V1510-V1514 PolarHBondContact O-N 3.31Å; V1514-R1517 PolarHBondContact O-N 3.04Å; V1514-L1518 HydrophobicContact CG1-CD1 4.21Å; V1514-L1518 WeakPolarHBondContact O-CB 3.32Å; V1514-L1518 WeakPolarHBondContact O-CG 3.45Å; V1514-L1518 PolarHBondContact O-N 3.46Å |
| 1515 | L | 81.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.6 | -70.5 | 172.6 | 0 | 0 | 0 | 111.9 | V1511 K1512 E1513 L1519 L1556 I1560 A1593 V1596 | V1511-L1515 HydrophobicContact CG1-CD1 3.87Å; V1511-L1515 HydrophobicContact CG1-CG 4.46Å; V1511-L1515 WeakPolarHBondContact O-CB 3.26Å; V1511-L1515 VanDerWaalsContact O-CG 3.27Å; V1511-L1515 WeakPolarHBondContact O-CG 3.46Å; V1511-L1515 PolarHBondContact O-N 3.05Å; K1512-L1515 PolarHBondContact O-N 3.36Å; E1513-L1515 PolarHBondContact O-N 3.32Å; L1515-L1519 WeakPolarHBondContact O-CB 3.5Å; L1515-L1519 WeakPolarHBondContact O-CD1 3.21Å; L1515-L1519 WeakPolarHBondContact O-CG 3.38Å; L1515-L1519 PolarHBondContact O-N 2.73Å; L1515-L1556 HydrophobicContact CD2-CD2 4.45Å; L1515-I1560 HydrophobicContact CD2-CD1 3.85Å; L1515-A1593 HydrophobicContact CD1-CB 3.82Å; L1515-V1596 HydrophobicContact CB-CG1 3.89Å; L1515-V1596 HydrophobicContact CD1-CB 3.92Å; L1515-V1596 HydrophobicContact CD1-CG1 3.98Å; L1515-V1596 HydrophobicContact CD1-CG2 4.43Å |
| 1516 | T | 78.4 | Confident | 70.4 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 112 | K1512 E1513 L1519 H1520 | K1512-T1516 WeakPolarHBondContact O-CB 3.43Å; K1512-T1516 PolarHBondContact O-N 3Å; K1512-T1516 PolarHBondContact O-OG1 3.45Å; K1512-T1516 VanDerWaalsContact O-OG1 3.14Å; E1513-T1516 PolarHBondContact O-N 3.03Å; T1516-L1519 PolarHBondContact O-N 3.43Å; T1516-H1520 WeakPolarHBondContact O-CB 3.43Å; T1516-H1520 PolarHBondContact O-CD2 3.4Å; T1516-H1520 PolarHBondContact O-N 3.13Å |
| 1517 | R | 73.4 | Confident | 68.4 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 175 | -73.7 | -175.6 | -169.5 | -146 | 4 | 110.8 | D1403 E1513 V1514 A1521 | D1403-R1517 IonicContact OD1-CZ 3.28Å; D1403-R1517 IonicContact OD1-NH1 2.7Å; D1403-R1517 PolarHBondContact OD1-NH1 2.98Å; D1403-R1517 VanDerWaalsContact OD1-NH1 3.12Å; D1403-R1517 IonicContact OD1-NH2 2.82Å; D1403-R1517 PolarHBondContact OD1-NH2 2.83Å; D1403-R1517 IonicContact OD2-NH2 2.93Å; D1403-R1517 PolarHBondContact OD2-NH2 3.11Å; E1513-R1517 HydrophobicContact CG-CG 4.41Å; E1513-R1517 WeakPolarHBondContact O-CB 3.49Å; E1513-R1517 WeakPolarHBondContact O-CG 3.3Å; E1513-R1517 PolarHBondContact O-N 3.18Å; E1513-R1517 IonicContact OE1-CZ 3.94Å; E1513-R1517 IonicContact OE1-NE 2.97Å; E1513-R1517 PolarHBondContact OE1-NE 3.19Å; E1513-R1517 IonicContact OE1-NH2 2.79Å; E1513-R1517 PolarHBondContact OE1-NH2 3.09Å; V1514-R1517 PolarHBondContact O-N 3.04Å; R1517-A1521 WeakPolarHBondContact O-CB 3.18Å; R1517-A1521 PolarHBondContact O-N 3.08Å |
| 1518 | L | 77.7 | Confident | 66.4 | Low | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -51.3 | 175.7 | -74.7 | 172.4 | 0 | 0 | 0 | 112.2 | I1488 V1496 V1514 H1520 A1521 S1522 L1556 | I1488-L1518 HydrophobicContact CD1-CD1 3.91Å; I1488-L1518 HydrophobicContact CD1-CD2 4.08Å; I1488-L1518 HydrophobicContact CD1-CG 4.05Å; I1488-L1518 HydrophobicContact CG1-CD2 4.08Å; I1488-L1518 HydrophobicContact CG2-CD2 4.42Å; V1496-L1518 HydrophobicContact CG1-CD1 4.22Å; V1496-L1518 HydrophobicContact CG1-CD2 4.01Å; V1514-L1518 HydrophobicContact CG1-CD1 4.21Å; V1514-L1518 WeakPolarHBondContact O-CB 3.32Å; V1514-L1518 WeakPolarHBondContact O-CG 3.45Å; V1514-L1518 PolarHBondContact O-N 3.46Å; L1518-H1520 VanDerWaalsContact C-N 3.27Å; L1518-H1520 PolarHBondContact O-N 3.3Å; L1518-A1521 WeakPolarHBondContact O-CB 3.18Å; L1518-A1521 PolarHBondContact O-N 2.68Å; L1518-A1521 VanDerWaalsContact O-N 3.15Å; L1518-S1522 PolarHBondContact O-N 3.38Å; L1518-S1522 PolarHBondContact O-OG 3.04Å; L1518-L1556 HydrophobicContact CB-CD2 4.14Å; L1518-L1556 HydrophobicContact CD1-CD1 4.29Å |
| 1519 | L | 76.4 | Confident | 64.4 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -32.4 | -178.5 | -79.3 | 170.3 | 0 | 0 | 0 | 113.4 | L1515 T1516 P1553 L1556 E1600 L1603 F1604 | L1515-L1519 WeakPolarHBondContact O-CB 3.5Å; L1515-L1519 WeakPolarHBondContact O-CD1 3.21Å; L1515-L1519 WeakPolarHBondContact O-CG 3.38Å; L1515-L1519 PolarHBondContact O-N 2.73Å; T1516-L1519 PolarHBondContact O-N 3.43Å; L1519-P1553 HydrophobicContact CD2-CB 4.23Å; L1519-L1556 HydrophobicContact CD2-CD2 3.87Å; L1519-L1556 HydrophobicContact CG-CD2 3.91Å; L1519-E1600 HydrophobicContact CD1-CG 4.25Å; L1519-L1603 HydrophobicContact CB-CD1 3.68Å; L1519-L1603 HydrophobicContact CD2-CD1 4.21Å; L1519-L1603 HydrophobicContact CG-CD1 4.39Å; L1519-F1604 HydrophobicContact CD1-CE2 4.48Å; L1519-F1604 HydrophobicContact CD2-CE2 3.69Å; L1519-F1604 HydrophobicContact CD2-CZ 3.86Å |
| 1520 | H | 70.1 | Confident | 62.5 | Low | 45 Ų | 45 | 57.2 Ų | 57.2 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77 | -39.5 | 174.2 | -75.9 | -152.9 | 0 | 0 | 0 | 111.9 | V1459 T1516 L1518 S1522 V1523 A1524 | V1459-H1520 HydrophobicContact CG2-CB 3.57Å; T1516-H1520 WeakPolarHBondContact O-CB 3.43Å; T1516-H1520 PolarHBondContact O-CD2 3.4Å; T1516-H1520 PolarHBondContact O-N 3.13Å; L1518-H1520 VanDerWaalsContact C-N 3.27Å; L1518-H1520 PolarHBondContact O-N 3.3Å; H1520-S1522 PolarHBondContact O-N 3.47Å; H1520-V1523 PolarHBondContact O-N 2.89Å; H1520-A1524 PolarHBondContact O-N 2.85Å |
| 1521 | A | 66.4 | Low | 60.6 | Low | 3 Ų | 3 | 61.3 Ų | 61.3 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -33.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1459 V1489 R1517 L1518 V1523 G1549 | V1459-A1521 HydrophobicContact CG1-CB 4.46Å; V1489-A1521 HydrophobicContact CB-CB 4.42Å; V1489-A1521 HydrophobicContact CG1-CB 3.8Å; V1489-A1521 HydrophobicContact CG2-CB 4.12Å; R1517-A1521 WeakPolarHBondContact O-CB 3.18Å; R1517-A1521 PolarHBondContact O-N 3.08Å; L1518-A1521 WeakPolarHBondContact O-CB 3.18Å; L1518-A1521 PolarHBondContact O-N 2.68Å; L1518-A1521 VanDerWaalsContact O-N 3.15Å; A1521-V1523 PolarHBondContact O-N 3.38Å; A1521-V1523 VanDerWaalsContact O-N 3.1Å; A1521-G1549 WeakPolarHBondContact O-CA 3.46Å; A1521-G1549 PolarHBondContact O-N 3.5Å |
| 1522 | S | 64.6 | Low | 58.3 | Low | 14 Ų | 14 | 63.6 Ų | 63.6 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -6.7 | 173.6 | -51.2 | 0 | 0 | 0 | 0 | 115.2 | L1518 H1520 L1551 | L1518-S1522 PolarHBondContact O-N 3.38Å; L1518-S1522 PolarHBondContact O-OG 3.04Å; H1520-S1522 PolarHBondContact O-N 3.47Å; S1522-L1551 WeakPolarHBondContact CB-O 3.24Å; S1522-L1551 PolarHBondContact OG-O 2.76Å |
| 1523 | V | 59.2 | Low | 56.1 | Low | 66 Ų | 66 | 60.2 Ų | 60.2 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -11.7 | -175.8 | 171 | 0 | 0 | 0 | 0 | 113.9 | H1520 A1521 T1525 L1603 | H1520-V1523 PolarHBondContact O-N 2.89Å; A1521-V1523 PolarHBondContact O-N 3.38Å; A1521-V1523 VanDerWaalsContact O-N 3.1Å; V1523-T1525 PolarHBondContact O-N 2.83Å; V1523-L1603 HydrophobicContact CB-CD2 4.19Å; V1523-L1603 HydrophobicContact CG1-CD2 4.31Å; V1523-L1603 HydrophobicContact CG2-CD2 3.75Å |
| 1524 | A | 49.8 | Very low | 54.4 | Low | 26 Ų | 26 | 61.1 Ų | 61.1 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | trans | -70.8 | 120.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1520 | H1520-A1524 PolarHBondContact O-N 2.85Š| ||
| 1525 | T | 42 | Very low | 52.1 | Low | 138 Ų | 138 | 70.8 Ų | 70.8 | 85% | 0.847 | 37% | 0.372 | S | S | * | . | trans | -111.9 | 22.8 | -179.1 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | V1523 | V1523-T1525 PolarHBondContact O-N 2.83Š| ||
| 1526 | Q | 39 | Very low | 49.8 | Very low | 143 Ų | 143 | 75.8 Ų | 75.8 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | trans | -128.9 | 131.6 | -174.9 | -70 | -177.5 | -23.5 | 0 | 0 | 111.5 | ||||
| 1527 | Y | 36.1 | Very low | 47.8 | Very low | 183 Ų | 183 | 76.7 Ų | 76.7 | 72% | 0.718 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 161.3 | 166 | -67.1 | -87 | 0 | 0 | 0 | 110.7 | P1547 | Y1527-P1547 HydrophobicContact CE1-CG 4.45Š|
| 1528 | A | 36 | Very low | 45.5 | Very low | 21 Ų | 21 | 81.4 Ų | 81.4 | 17% | 0.174 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -59 | 143.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1375 I1460 Q1530 | Y1375-A1528 HydrophobicContact CE2-CB 4.22Å; I1460-A1528 HydrophobicContact CG1-CB 4.33Å; I1460-A1528 HydrophobicContact CG2-CB 4.16Å; A1528-Q1530 PolarHBondContact O-N 3.2Å |
| 1529 | P | 35.4 | Very low | 43.3 | Very low | 103 Ų | 103 | 86.8 Ų | 86.8 | 67% | 0.669 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 121 | 173.6 | 26.7 | -33.2 | 0 | 0 | 0 | 109.4 | I1531 | P1529-I1531 PolarHBondContact O-N 2.92Š|
| 1530 | Q | 34 | Very low | 41.1 | Very low | 144 Ų | 144 | 93.7 Ų | 93.7 | 67% | 0.673 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -56 | 125.1 | 172.8 | -68.1 | -72.9 | 2.7 | 0 | 0 | 109.3 | N1032 A1528 | N1032-Q1530 PolarHBondContact ND2-O 2.83Å; N1032-Q1530 PolarHBondContact OD1-O 3.48Å; A1528-Q1530 PolarHBondContact O-N 3.2Å |
| 1531 | I | 38.4 | Very low | 39.3 | Very low | 125 Ų | 125 | 99.2 Ų | 99.2 | 64% | 0.641 | 53% | 0.526 | S | S | * | . | trans | -98.3 | 115 | 168.6 | -57 | 176.6 | 0 | 0 | 0 | 106 | P1529 G1533 | P1529-I1531 PolarHBondContact O-N 2.92Å; I1531-G1533 PolarHBondContact O-N 3.41Å | ||
| 1532 | K | 31.2 | Very low | 37.5 | Very low | 54 Ų | 54 | 105 Ų | 105 | 24% | 0.235 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | 137.8 | 171.3 | -77.3 | -158.6 | -171.1 | -171 | 0 | 110 | E1027 V1030 S1033 | E1027-K1532 WeakPolarHBondContact O-CB 3.36Å; V1030-K1532 HydrophobicContact CB-CD 4.08Å; V1030-K1532 HydrophobicContact CG1-CD 4.46Å; V1030-K1532 WeakPolarHBondContact O-CD 3.47Å; V1030-K1532 WeakPolarHBondContact O-CE 3.49Å; V1030-K1532 VanDerWaalsContact O-CG 3.28Å; V1030-K1532 WeakPolarHBondContact O-CG 3.12Å; S1033-K1532 WeakPolarHBondContact OG-CE 3.33Å |
| 1533 | G | 33.7 | Very low | 36 | Very low | 53 Ų | 53 | 110.7 Ų | 110.7 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 128.5 | -23 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1531 R1535 | I1531-G1533 PolarHBondContact O-N 3.41Å; G1533-R1535 PolarHBondContact O-N 2.77Å |
| 1534 | V | 39.5 | Very low | 34.8 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | -81.8 | 113.3 | -178.9 | -174.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1535 | R | 31.4 | Very low | 33.9 | Very low | 207 Ų | 207 | 116.5 Ų | 116.5 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | trans | -79.1 | 155.2 | 166.4 | -63 | 178.7 | -178.2 | 162.7 | 2.9 | 109.8 | G1533 | G1533-R1535 PolarHBondContact O-N 2.77Š| ||
| 1536 | N | 33.2 | Very low | 33.4 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | trans | 77.2 | 85.9 | 172.8 | -47 | -21.3 | 0 | 0 | 0 | 116.7 | I1377 | I1377-N1536 HydrophobicContact CG2-CB 3.81Š| ||
| 1537 | I | 35.3 | Very low | 33.6 | Very low | 55 Ų | 55 | 110.8 Ų | 110.8 | 28% | 0.282 | 59% | 0.592 | S | S | . | * | -167.2 | 130 | 110.3 | -87.1 | 153.6 | 0 | 0 | 0 | 107.6 | Y1375 I1377 F1539 | Y1375-I1537 WeakPolarHBondContact O-CD1 3.47Å; I1377-I1537 HydrophobicContact CB-CD1 4.14Å; I1377-I1537 HydrophobicContact CB-CG1 4.15Å; I1377-I1537 HydrophobicContact CD1-CD1 4.17Å; I1377-I1537 HydrophobicContact CD1-CG1 4.25Å; I1537-F1539 HydrophobicContact CB-CD2 4.17Å; I1537-F1539 HydrophobicContact CB-CE2 3.89Å; I1537-F1539 HydrophobicContact CG2-CD1 4.3Å; I1537-F1539 HydrophobicContact CG2-CD2 3.52Å; I1537-F1539 HydrophobicContact CG2-CE1 4.24Å; I1537-F1539 HydrophobicContact CG2-CE2 3.44Å; I1537-F1539 VanDerWaalsContact CG2-CE2 3.44Å; I1537-F1539 HydrophobicContact CG2-CG 3.96Å; I1537-F1539 HydrophobicContact CG2-CZ 3.82Å; I1537-F1539 PolarHBondContact O-N 3.1Å; I1537-F1539 VanDerWaalsContact O-N 3.13Å | |||
| 1538 | P | 26.8 | Very low | 34.1 | Very low | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 59% | 0.589 | S | S | * | * | trans | -78 | 91.7 | 169.4 | 31.8 | -32.1 | 0 | 0 | 0 | 110.1 | N1540 | P1538-N1540 PolarHBondContact O-N 2.95Å; P1538-N1540 VanDerWaalsContact O-N 3.11Å | ||
| 1539 | F | 30.2 | Very low | 35 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | trans | -71.6 | 103.1 | 171.3 | -79.8 | -78.7 | 0 | 0 | 0 | 110 | I1537 L1541 | I1537-F1539 HydrophobicContact CB-CD2 4.17Å; I1537-F1539 HydrophobicContact CB-CE2 3.89Å; I1537-F1539 HydrophobicContact CG2-CD1 4.3Å; I1537-F1539 HydrophobicContact CG2-CD2 3.52Å; I1537-F1539 HydrophobicContact CG2-CE1 4.24Å; I1537-F1539 HydrophobicContact CG2-CE2 3.44Å; I1537-F1539 VanDerWaalsContact CG2-CE2 3.44Å; I1537-F1539 HydrophobicContact CG2-CG 3.96Å; I1537-F1539 HydrophobicContact CG2-CZ 3.82Å; I1537-F1539 PolarHBondContact O-N 3.1Å; I1537-F1539 VanDerWaalsContact O-N 3.13Å; F1539-L1541 PolarHBondContact O-N 2.99Å | ||
| 1540 | N | 30.2 | Very low | 36.4 | Very low | 144 Ų | 144 | 103.6 Ų | 103.6 | 77% | 0.77 | 56% | 0.56 | S | S | * | * | trans | -69.2 | 115.6 | 174.9 | -167.9 | -2.7 | 0 | 0 | 0 | 109.4 | P1538 N1542 | P1538-N1540 PolarHBondContact O-N 2.95Å; P1538-N1540 VanDerWaalsContact O-N 3.11Å; N1540-N1542 PolarHBondContact O-N 3.4Å | ||
| 1541 | L | 32.9 | Very low | 38.1 | Very low | 161 Ų | 161 | 97 Ų | 97 | 84% | 0.843 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 9 | -163.3 | -99.1 | 162.8 | 0 | 0 | 0 | 115.3 | F1539 | F1539-L1541 PolarHBondContact O-N 2.99Š|
| 1542 | N | 29.1 | Very low | 40 | Very low | 126 Ų | 126 | 95.6 Ų | 95.6 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 11.6 | -161.7 | -83 | 16.4 | 0 | 0 | 0 | 116.1 | N1540 | N1540-N1542 PolarHBondContact O-N 3.4Š|
| 1543 | D | 32.9 | Very low | 42.4 | Very low | 132 Ų | 132 | 93.1 Ų | 93.1 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -141.5 | 133 | -178.3 | -128.8 | -35.1 | 0 | 0 | 0 | 116.7 | ||
| 1544 | Q | 33.4 | Very low | 44.8 | Very low | 130 Ų | 130 | 91.7 Ų | 91.7 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | trans | 63.3 | 153.1 | 170.9 | -57 | -48.4 | -57.6 | 0 | 0 | 119.9 | ||||
| 1545 | P | 30.6 | Very low | 46.9 | Very low | 85 Ų | 85 | 89.4 Ų | 89.4 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | trans | -110 | 153.5 | -147.3 | 39.4 | -33.4 | 0 | 0 | 0 | 116.5 | ||||
| 1546 | S | 32.5 | Very low | 49.4 | Very low | 94 Ų | 94 | 79.6 Ų | 79.6 | 66% | 0.657 | 43% | 0.433 | S | S | * | . | trans | 43.9 | 96.4 | 152.7 | -64.5 | 0 | 0 | 0 | 0 | 117.4 | L1548 | S1546-L1548 PolarHBondContact O-N 3.27Š| ||
| 1547 | P | 43.7 | Very low | 52 | Low | 66 Ų | 66 | 74.6 Ų | 74.6 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | trans | -74.2 | 68.2 | -180 | 33.4 | -37.9 | 0 | 0 | 0 | 113 | I1461 Y1527 | I1461-P1547 HydrophobicContact CD1-CB 4.06Å; Y1527-P1547 HydrophobicContact CE1-CG 4.45Å | ||
| 1548 | L | 45.6 | Very low | 54.4 | Low | 125 Ų | 125 | 72.6 Ų | 72.6 | 65% | 0.654 | 40% | 0.397 | S | S | * | . | trans | -71.4 | 131.4 | 158.8 | -73.5 | 160.9 | 0 | 0 | 0 | 108.2 | S1546 | S1546-L1548 PolarHBondContact O-N 3.27Š| ||
| 1549 | G | 55.4 | Low | 57.1 | Low | 8 Ų | 8 | 67.1 Ų | 67.1 | 8% | 0.082 | 36% | 0.362 | C | S | . | . | trans | -53.2 | 148.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1521 L1551 | A1521-G1549 WeakPolarHBondContact O-CA 3.46Å; A1521-G1549 PolarHBondContact O-N 3.5Å; G1549-L1551 CarbonylContact O-C 3.57Å; G1549-L1551 PolarHBondContact O-N 2.83Å | ||
| 1550 | P | 63.7 | Low | 59.7 | Low | 24 Ų | 24 | 61.5 Ų | 61.5 | 16% | 0.156 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -65 | -12.1 | -156 | 21.9 | -34.5 | 0 | 0 | 0 | 116.3 | V1489 L1491 K1493 V1496 | V1489-P1550 VanDerWaalsContact O-CD 3.25Å; V1489-P1550 WeakPolarHBondContact O-CD 3.35Å; L1491-P1550 WeakPolarHBondContact O-CB 3.28Å; L1491-P1550 WeakPolarHBondContact O-CG 3.46Å; K1493-P1550 VanDerWaalsContact CB-O 3.28Å; K1493-P1550 WeakPolarHBondContact CB-O 3.47Å; K1493-P1550 WeakPolarHBondContact CG-O 3.34Å; V1496-P1550 HydrophobicContact CG2-CB 4.27Å; V1496-P1550 HydrophobicContact CG2-CG 4.04Å |
| 1551 | L | 70.7 | Confident | 62.3 | Low | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -132.2 | 142.9 | 161.1 | -71 | 91.7 | 0 | 0 | 0 | 109.3 | K1493 V1496 I1497 S1522 G1549 E1555 L1556 A1559 | K1493-L1551 HydrophobicContact CG-CG 4.32Å; V1496-L1551 HydrophobicContact CB-CD1 3.79Å; V1496-L1551 HydrophobicContact CG1-CD1 3.53Å; I1497-L1551 HydrophobicContact CD1-CD2 4.32Å; I1497-L1551 HydrophobicContact CG1-CD2 4.09Å; S1522-L1551 WeakPolarHBondContact CB-O 3.24Å; S1522-L1551 PolarHBondContact OG-O 2.76Å; G1549-L1551 CarbonylContact O-C 3.57Å; G1549-L1551 PolarHBondContact O-N 2.83Å; L1551-E1555 HydrophobicContact CB-CB 4.38Å; L1551-E1555 HydrophobicContact CD2-CB 4.42Å; L1551-L1556 HydrophobicContact CB-CB 4.26Å; L1551-L1556 HydrophobicContact CD2-CB 4.43Å; L1551-A1559 HydrophobicContact CD2-CB 4.12Å |
| 1552 | K | 79 | Confident | 64.8 | Low | 95 Ų | 95 | 50 Ų | 50 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | trans | -70.5 | 157 | 165.2 | -55.3 | 175.1 | -176.4 | 172.5 | 0 | 110 | E1554 E1555 L1556 | K1552-E1554 VanDerWaalsContact C-N 3.29Å; K1552-E1554 HydrophobicContact CB-CG 4.13Å; K1552-E1554 WeakPolarHBondContact CB-OE1 3.21Å; K1552-E1554 WeakPolarHBondContact CD-OE1 3.32Å; K1552-E1554 PolarHBondContact O-N 2.93Å; K1552-E1555 HydrophobicContact CB-CB 4.36Å; K1552-E1555 HydrophobicContact CB-CG 4.02Å; K1552-E1555 HydrophobicContact CG-CG 4.47Å; K1552-E1555 PolarHBondContact N-OE2 2.97Å; K1552-E1555 WeakPolarHBondContact O-CB 3.32Å; K1552-E1555 PolarHBondContact O-N 2.89Å; K1552-L1556 PolarHBondContact O-N 2.79Å | ||
| 1553 | P | 80 | Confident | 67.3 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | -177.6 | -24.2 | 36.5 | 0 | 0 | 0 | 113.1 | L1519 L1556 L1557 F1604 | L1519-P1553 HydrophobicContact CD2-CB 4.23Å; P1553-L1556 PolarHBondContact O-N 3.36Å; P1553-L1557 PolarHBondContact O-N 2.89Å; P1553-F1604 HydrophobicContact CB-CE1 4.09Å; P1553-F1604 HydrophobicContact CB-CZ 4.04Å; P1553-F1604 VanDerWaalsContact O-CE1 3.3Å; P1553-F1604 WeakPolarHBondContact O-CE1 3.44Å; P1553-F1604 WeakPolarHBondContact O-CZ 3.23Å |
| 1554 | E | 83.8 | Confident | 69.5 | Low | 24 Ų | 24 | 40.4 Ų | 40.4 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | 171.7 | 53.6 | -84.5 | -165.5 | 0 | 0 | 112.7 | K1552 L1557 V1558 R1608 V1611 A1612 | K1552-E1554 VanDerWaalsContact C-N 3.29Å; K1552-E1554 HydrophobicContact CB-CG 4.13Å; K1552-E1554 WeakPolarHBondContact CB-OE1 3.21Å; K1552-E1554 WeakPolarHBondContact CD-OE1 3.32Å; K1552-E1554 PolarHBondContact O-N 2.93Å; E1554-L1557 PolarHBondContact O-N 2.98Å; E1554-V1558 VanDerWaalsContact O-CG2 3.31Å; E1554-V1558 WeakPolarHBondContact O-CG2 3.36Å; E1554-V1558 PolarHBondContact O-N 3.12Å; E1554-R1608 WeakPolarHBondContact OE2-CD 3.37Å; E1554-R1608 VanDerWaalsContact OE2-CG 3.3Å; E1554-R1608 WeakPolarHBondContact OE2-CG 3.42Å; E1554-R1608 IonicContact OE2-NE 2.86Å; E1554-R1608 PolarHBondContact OE2-NE 3Å; E1554-V1611 HydrophobicContact CG-CG1 4.27Å; E1554-A1612 HydrophobicContact CB-CB 4.08Å |
| 1555 | E | 84.1 | Confident | 71.6 | Confident | 42 Ų | 42 | 39 Ų | 39 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.4 | -37.3 | 178.6 | -63.5 | -177.7 | 150.3 | 0 | 0 | 112.2 | K1493 L1551 K1552 V1558 A1559 | K1493-E1555 WeakPolarHBondContact CE-OE2 3.4Å; K1493-E1555 IonicContact NZ-OE1 3.8Å; K1493-E1555 PolarHBondContact NZ-OE1 2.8Å; K1493-E1555 IonicContact NZ-OE2 2.69Å; K1493-E1555 PolarHBondContact NZ-OE2 3.04Å; L1551-E1555 HydrophobicContact CB-CB 4.38Å; L1551-E1555 HydrophobicContact CD2-CB 4.42Å; K1552-E1555 HydrophobicContact CB-CB 4.36Å; K1552-E1555 HydrophobicContact CB-CG 4.02Å; K1552-E1555 HydrophobicContact CG-CG 4.47Å; K1552-E1555 PolarHBondContact N-OE2 2.97Å; K1552-E1555 WeakPolarHBondContact O-CB 3.32Å; K1552-E1555 PolarHBondContact O-N 2.89Å; E1555-V1558 PolarHBondContact O-N 2.91Å; E1555-A1559 WeakPolarHBondContact O-CB 3.24Å; E1555-A1559 PolarHBondContact O-N 3.28Å |
| 1556 | L | 84.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 173.7 | 178.9 | 61.5 | 0 | 0 | 0 | 111 | L1500 L1515 L1518 L1519 L1551 K1552 P1553 V1558 A1559 I1560 | L1500-L1556 HydrophobicContact CD1-CD1 4.46Å; L1515-L1556 HydrophobicContact CD2-CD2 4.45Å; L1518-L1556 HydrophobicContact CB-CD2 4.14Å; L1518-L1556 HydrophobicContact CD1-CD1 4.29Å; L1519-L1556 HydrophobicContact CD2-CD2 3.87Å; L1519-L1556 HydrophobicContact CG-CD2 3.91Å; L1551-L1556 HydrophobicContact CB-CB 4.26Å; L1551-L1556 HydrophobicContact CD2-CB 4.43Å; K1552-L1556 PolarHBondContact O-N 2.79Å; P1553-L1556 PolarHBondContact O-N 3.36Å; L1556-V1558 VanDerWaalsContact C-N 3.34Å; L1556-V1558 PolarHBondContact O-N 2.88Å; L1556-A1559 PolarHBondContact O-N 3Å; L1556-I1560 HydrophobicContact CD1-CD1 4.06Å; L1556-I1560 HydrophobicContact CD1-CG1 4.34Å; L1556-I1560 HydrophobicContact CG-CD1 3.97Å; L1556-I1560 WeakPolarHBondContact O-CB 3.37Å; L1556-I1560 WeakPolarHBondContact O-CD1 3.5Å; L1556-I1560 VanDerWaalsContact O-CG1 3.24Å; L1556-I1560 WeakPolarHBondContact O-CG1 3.49Å; L1556-I1560 PolarHBondContact O-N 3.14Å |
| 1557 | L | 87.1 | Confident | 74.4 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 176 | -174.2 | 63.9 | 0 | 0 | 0 | 111.8 | P1553 E1554 H1561 C1597 F1604 L1609 A1612 | P1553-L1557 PolarHBondContact O-N 2.89Å; E1554-L1557 PolarHBondContact O-N 2.98Å; L1557-H1561 PolarHBondContact O-N 3.06Å; L1557-H1561 PolarHBondContact O-ND1 3.1Å; L1557-C1597 HydrophobicContact CD1-CB 4.22Å; L1557-F1604 HydrophobicContact CB-CE1 3.86Å; L1557-F1604 HydrophobicContact CB-CZ 4.27Å; L1557-F1604 HydrophobicContact CD2-CD1 4.21Å; L1557-F1604 HydrophobicContact CD2-CE1 3.87Å; L1557-F1604 HydrophobicContact CG-CE1 4.39Å; L1557-L1609 HydrophobicContact CD2-CD2 3.96Å; L1557-A1612 HydrophobicContact CD2-CB 4.21Å |
| 1558 | V | 86.2 | Confident | 74.9 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -48.8 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | E1554 E1555 L1556 I1560 H1561 L1562 A1612 Q1615 L1616 | E1554-V1558 VanDerWaalsContact O-CG2 3.31Å; E1554-V1558 WeakPolarHBondContact O-CG2 3.36Å; E1554-V1558 PolarHBondContact O-N 3.12Å; E1555-V1558 PolarHBondContact O-N 2.91Å; L1556-V1558 VanDerWaalsContact C-N 3.34Å; L1556-V1558 PolarHBondContact O-N 2.88Å; V1558-I1560 VanDerWaalsContact C-N 3.33Å; V1558-I1560 PolarHBondContact O-N 2.81Å; V1558-H1561 PolarHBondContact O-N 2.88Å; V1558-L1562 HydrophobicContact CG1-CD1 3.9Å; V1558-L1562 HydrophobicContact CG1-CG 4.36Å; V1558-L1562 WeakPolarHBondContact O-CG 3.49Å; V1558-L1562 PolarHBondContact O-N 3.22Å; V1558-A1612 HydrophobicContact CG2-CB 4.26Å; V1558-Q1615 HydrophobicContact CG2-CB 4.05Å; V1558-L1616 HydrophobicContact CB-CD2 4.49Å; V1558-L1616 HydrophobicContact CG1-CD2 4.25Å; V1558-L1616 HydrophobicContact CG2-CD2 4.3Å; V1558-L1616 HydrophobicContact CG2-CG 4.15Å |
| 1559 | A | 84 | Confident | 75.3 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1500 L1551 E1555 L1556 H1561 L1562 L1563 | L1500-A1559 HydrophobicContact CD2-CB 4.07Å; L1551-A1559 HydrophobicContact CD2-CB 4.12Å; E1555-A1559 WeakPolarHBondContact O-CB 3.24Å; E1555-A1559 PolarHBondContact O-N 3.28Å; L1556-A1559 PolarHBondContact O-N 3Å; A1559-H1561 VanDerWaalsContact C-N 3.29Å; A1559-H1561 PolarHBondContact O-N 3.5Å; A1559-L1562 PolarHBondContact O-N 3.21Å; A1559-L1562 VanDerWaalsContact O-N 3.1Å; A1559-L1563 PolarHBondContact O-N 2.9Å |
| 1560 | I | 85.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -37 | 176.6 | -69.9 | 164.6 | 0 | 0 | 0 | 112 | L1500 I1504 L1515 L1556 V1558 L1563 I1590 A1593 C1597 | L1500-I1560 HydrophobicContact CD2-CG1 4.23Å; I1504-I1560 HydrophobicContact CD1-CG1 4.21Å; L1515-I1560 HydrophobicContact CD2-CD1 3.85Å; L1556-I1560 HydrophobicContact CD1-CD1 4.06Å; L1556-I1560 HydrophobicContact CD1-CG1 4.34Å; L1556-I1560 HydrophobicContact CG-CD1 3.97Å; L1556-I1560 WeakPolarHBondContact O-CB 3.37Å; L1556-I1560 WeakPolarHBondContact O-CD1 3.5Å; L1556-I1560 VanDerWaalsContact O-CG1 3.24Å; L1556-I1560 WeakPolarHBondContact O-CG1 3.49Å; L1556-I1560 PolarHBondContact O-N 3.14Å; V1558-I1560 VanDerWaalsContact C-N 3.33Å; V1558-I1560 PolarHBondContact O-N 2.81Å; I1560-L1563 WeakPolarHBondContact O-CB 3.5Å; I1560-I1590 HydrophobicContact CG2-CG2 4.03Å; I1560-I1590 WeakPolarHBondContact O-CG2 3.28Å; I1560-A1593 HydrophobicContact CD1-CB 4.33Å; I1560-A1593 HydrophobicContact CG2-CB 3.87Å; I1560-C1597 VanDerWaalsContact CD1-SG 3.59Å |
| 1561 | H | 84.4 | Confident | 73.6 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.3 | -35.6 | 175 | -76.4 | 76.5 | 0 | 0 | 0 | 112.6 | L1557 V1558 A1559 L1563 E1564 C1594 L1616 P1623 T1629 | L1557-H1561 PolarHBondContact O-N 3.06Å; L1557-H1561 PolarHBondContact O-ND1 3.1Å; V1558-H1561 PolarHBondContact O-N 2.88Å; A1559-H1561 VanDerWaalsContact C-N 3.29Å; A1559-H1561 PolarHBondContact O-N 3.5Å; H1561-L1563 PolarHBondContact O-N 2.94Å; H1561-E1564 WeakPolarHBondContact O-CB 3.45Å; H1561-E1564 PolarHBondContact O-N 3.45Å; H1561-C1594 VanDerWaalsContact CE1-SG 3.57Å; H1561-L1616 HydrophobicContact CB-CD2 3.73Å; H1561-P1623 HydrophobicContact CB-CB 4.35Å; H1561-P1623 HydrophobicContact CB-CG 4.18Å; H1561-T1629 PolarHBondContact CE1-OG1 3.02Å; H1561-T1629 PolarHBondContact NE2-OG1 3.37Å |
| 1562 | L | 85.6 | Confident | 72 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 32% | 0.319 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.6 | -15.7 | 179.9 | -66.6 | 175.1 | 0 | 0 | 0 | 113.4 | V1558 A1559 E1564 F1565 Q1619 | V1558-L1562 HydrophobicContact CG1-CD1 3.9Å; V1558-L1562 HydrophobicContact CG1-CG 4.36Å; V1558-L1562 WeakPolarHBondContact O-CG 3.49Å; V1558-L1562 PolarHBondContact O-N 3.22Å; A1559-L1562 PolarHBondContact O-N 3.21Å; A1559-L1562 VanDerWaalsContact O-N 3.1Å; L1562-E1564 PolarHBondContact O-N 3.49Å; L1562-E1564 VanDerWaalsContact O-N 3.14Å; L1562-F1565 HydrophobicContact CD2-CD2 4.2Å; L1562-F1565 HydrophobicContact CD2-CE2 4.35Å; L1562-F1565 PolarHBondContact O-N 3.44Å; L1562-Q1619 HydrophobicContact CD2-CG 4.31Å |
| 1563 | L | 81.6 | Confident | 69.7 | Low | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.6 | -20.4 | 170.2 | -64.3 | 173.3 | 0 | 0 | 0 | 113.6 | L1500 P1501 I1504 A1559 I1560 H1561 F1565 A1566 V1585 I1590 | L1500-L1563 HydrophobicContact CD2-CD1 4.12Å; L1500-L1563 HydrophobicContact CD2-CD2 4.5Å; L1500-L1563 HydrophobicContact CG-CD1 4.17Å; P1501-L1563 HydrophobicContact CB-CD2 4.21Å; P1501-L1563 HydrophobicContact CG-CD2 3.7Å; I1504-L1563 HydrophobicContact CD1-CD1 3.51Å; A1559-L1563 PolarHBondContact O-N 2.9Å; I1560-L1563 WeakPolarHBondContact O-CB 3.5Å; H1561-L1563 PolarHBondContact O-N 2.94Å; L1563-F1565 PolarHBondContact O-N 2.96Å; L1563-A1566 WeakPolarHBondContact O-CB 3.26Å; L1563-A1566 PolarHBondContact O-N 3.43Å; L1563-V1585 HydrophobicContact CB-CG2 4.48Å; L1563-I1590 HydrophobicContact CB-CD1 3.97Å; L1563-I1590 HydrophobicContact CB-CG1 4.31Å |
| 1564 | E | 78.1 | Confident | 67.4 | Low | 45 Ų | 45 | 56.5 Ų | 56.5 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -59.3 | -23.8 | 171.9 | -176.4 | 165.9 | -146.2 | 0 | 0 | 112.5 | H1561 L1562 I1590 P1623 T1624 | H1561-E1564 WeakPolarHBondContact O-CB 3.45Å; H1561-E1564 PolarHBondContact O-N 3.45Å; L1562-E1564 PolarHBondContact O-N 3.49Å; L1562-E1564 VanDerWaalsContact O-N 3.14Å; E1564-I1590 HydrophobicContact CB-CD1 4.27Å; E1564-P1623 VanDerWaalsContact OE2-CA 3.29Å; E1564-P1623 WeakPolarHBondContact OE2-CA 3.41Å; E1564-P1623 WeakPolarHBondContact OE2-CB 3.14Å; E1564-T1624 VanDerWaalsContact OE1-CB 3.32Å; E1564-T1624 WeakPolarHBondContact OE1-CB 3.29Å; E1564-T1624 WeakPolarHBondContact OE1-CG2 3.34Å; E1564-T1624 PolarHBondContact OE1-OG1 2.68Å; E1564-T1624 PolarHBondContact OE2-N 3.49Å |
| 1565 | F | 77.9 | Confident | 65 | Low | 102 Ų | 102 | 60.6 Ų | 60.6 | 45% | 0.447 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -105.2 | 3.6 | -180 | -51.7 | -63.7 | 0 | 0 | 0 | 113.9 | L1562 L1563 K1567 V1621 P1623 | L1562-F1565 HydrophobicContact CD2-CD2 4.2Å; L1562-F1565 HydrophobicContact CD2-CE2 4.35Å; L1562-F1565 PolarHBondContact O-N 3.44Å; L1563-F1565 PolarHBondContact O-N 2.96Å; F1565-K1567 PolarHBondContact O-N 3.19Å; F1565-V1621 HydrophobicContact CE1-CB 4.49Å; F1565-V1621 HydrophobicContact CE1-CG1 4.05Å; F1565-V1621 HydrophobicContact CZ-CB 4.2Å; F1565-V1621 HydrophobicContact CZ-CG1 3.93Å; F1565-P1623 HydrophobicContact CE2-CG 4.12Å |
| 1566 | A | 65.4 | Low | 62.5 | Low | 30 Ų | 30 | 65.6 Ų | 65.6 | 25% | 0.248 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 125.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1563 Y1584 | L1563-A1566 WeakPolarHBondContact O-CB 3.26Å; L1563-A1566 PolarHBondContact O-N 3.43Å; A1566-Y1584 HydrophobicContact CB-CD1 4.19Å; A1566-Y1584 VanDerWaalsContact O-CB 3.31Å; A1566-Y1584 WeakPolarHBondContact O-CB 3.48Å |
| 1567 | K | 56.7 | Low | 59.9 | Low | 180 Ų | 180 | 74.7 Ų | 74.7 | 78% | 0.783 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 154 | 166.7 | -90.9 | -173.4 | 172.3 | -176.1 | 0 | 110.8 | F1565 | F1565-K1567 PolarHBondContact O-N 3.19Š|
| 1568 | D | 54.8 | Low | 57.1 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 122 | 174.5 | -167.7 | -32.6 | 0 | 0 | 0 | 110.5 | S1570 Y1584 | D1568-S1570 VanDerWaalsContact C-N 3.27Å; D1568-S1570 PolarHBondContact O-N 3.31Å; D1568-S1570 WeakPolarHBondContact OD1-CB 3.4Å; D1568-S1570 PolarHBondContact OD1-N 3.21Å; D1568-S1570 PolarHBondContact OD1-OG 3.46Å; D1568-Y1584 HydrophobicContact CB-CD2 3.8Å; D1568-Y1584 HydrophobicContact CB-CE2 4.27Å; D1568-Y1584 HydrophobicContact CB-CG 4.23Å |
| 1569 | P | 52.8 | Low | 54.6 | Low | 105 Ų | 105 | 85.8 Ų | 85.8 | 68% | 0.682 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5 | 178.9 | 33.8 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 1570 | S | 45.4 | Very low | 52.1 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -3.9 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | D1568 | D1568-S1570 VanDerWaalsContact C-N 3.27Å; D1568-S1570 PolarHBondContact O-N 3.31Å; D1568-S1570 WeakPolarHBondContact OD1-CB 3.4Å; D1568-S1570 PolarHBondContact OD1-N 3.21Å; D1568-S1570 PolarHBondContact OD1-OG 3.46Å |
| 1571 | A | 38.4 | Very low | 49.8 | Very low | 70 Ų | 70 | 96.9 Ų | 96.9 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -75.7 | 123.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1572 | P | 36.2 | Very low | 47.8 | Very low | 112 Ų | 112 | 105.8 Ų | 105.8 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | trans | -67.1 | 139.2 | -179.4 | 27.1 | -34.4 | 0 | 0 | 0 | 111.8 | S1574 | P1572-S1574 VanDerWaalsContact C-N 3.3Å; P1572-S1574 PolarHBondContact O-N 3.04Å | ||
| 1573 | A | 31.5 | Very low | 46.3 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 94% | 0.942 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -78.6 | 67.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1574 | S | 32.1 | Very low | 45.4 | Very low | 92 Ų | 92 | 108.1 Ų | 108.1 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | trans | -151.7 | 161.7 | 170.7 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | P1572 | P1572-S1574 VanDerWaalsContact C-N 3.3Å; P1572-S1574 PolarHBondContact O-N 3.04Å | ||
| 1575 | S | 33.1 | Very low | 44.9 | Very low | 111 Ų | 111 | 106.1 Ų | 106.1 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | trans | 63 | 82.6 | -177.6 | 59.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1576 | N | 31.2 | Very low | 44.9 | Very low | 146 Ų | 146 | 106.3 Ų | 106.3 | 78% | 0.781 | 64% | 0.635 | S | S | * | * | trans | 14.5 | 131.7 | 131.8 | -57.8 | 3.6 | 0 | 0 | 0 | 119.8 | ||||
| 1577 | E | 29.3 | Very low | 45.7 | Very low | 193 Ų | 193 | 108.1 Ų | 108.1 | 90% | 0.902 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 57.3 | 114.3 | 140.3 | -58.6 | -170.8 | 157.4 | 0 | 0 | 120.7 | ||
| 1578 | G | 28.9 | Very low | 46.8 | Very low | 75 Ų | 75 | 106.3 Ų | 106.3 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | 108.1 | 15.7 | 124.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1579 | K | 34.2 | Very low | 48.1 | Very low | 171 Ų | 171 | 104.6 Ų | 104.6 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -150.6 | 112.2 | 166.4 | -109.6 | 148.2 | -176 | -177 | 0 | 114.6 | E1750 | K1579-E1750 IonicContact NZ-OE1 2.73Å; K1579-E1750 PolarHBondContact NZ-OE1 2.72Å |
| 1580 | S | 30.4 | Very low | 49.6 | Very low | 119 Ų | 119 | 99.7 Ų | 99.7 | 83% | 0.832 | 60% | 0.596 | S | S | * | * | trans | 32.7 | 82.7 | 162.4 | -157.2 | 0 | 0 | 0 | 0 | 119.3 | K1582 | S1580-K1582 PolarHBondContact O-N 2.98Š| ||
| 1581 | T | 38.6 | Very low | 51.5 | Low | 127 Ų | 127 | 96.2 Ų | 96.2 | 78% | 0.779 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 116.2 | 163.5 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1582 | K | 42.3 | Very low | 53.6 | Low | 189 Ų | 189 | 94.7 Ų | 94.7 | 82% | 0.822 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 142.7 | 172 | -64.5 | 172.5 | -177.4 | 170.3 | 0 | 110.2 | S1580 | S1580-K1582 PolarHBondContact O-N 2.98Š|
| 1583 | P | 53.1 | Low | 55.9 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.4 | 174.6 | 28.6 | -34.2 | 0 | 0 | 0 | 110.5 | V1585 | P1583-V1585 PolarHBondContact O-N 2.93Š|
| 1584 | Y | 63.6 | Low | 58.5 | Low | 40 Ų | 40 | 84.1 Ų | 84.1 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -64.9 | -21.1 | -175.4 | -179.4 | -135.4 | 0 | 0 | 0 | 113.3 | P1501 Q1505 A1566 D1568 | P1501-Y1584 HydrophobicContact CB-CD1 3.83Å; P1501-Y1584 HydrophobicContact CB-CE1 3.41Å; P1501-Y1584 VanDerWaalsContact CB-CE1 3.41Å; P1501-Y1584 HydrophobicContact CG-CE1 4.11Å; Q1505-Y1584 PolarHBondContact NE2-O 3.36Å; A1566-Y1584 HydrophobicContact CB-CD1 4.19Å; A1566-Y1584 VanDerWaalsContact O-CB 3.31Å; A1566-Y1584 WeakPolarHBondContact O-CB 3.48Å; D1568-Y1584 HydrophobicContact CB-CD2 3.8Å; D1568-Y1584 HydrophobicContact CB-CE2 4.27Å; D1568-Y1584 HydrophobicContact CB-CG 4.23Å |
| 1585 | V | 67.3 | Low | 61 | Low | 3 Ų | 3 | 86.6 Ų | 86.6 | 2% | 0.018 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -127 | 131.1 | 171.2 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | P1501 I1504 L1563 P1583 I1590 | P1501-V1585 HydrophobicContact CB-CG2 3.95Å; I1504-V1585 HydrophobicContact CG2-CG1 3.87Å; L1563-V1585 HydrophobicContact CB-CG2 4.48Å; P1583-V1585 PolarHBondContact O-N 2.93Å; V1585-I1590 HydrophobicContact CB-CD1 4.44Å; V1585-I1590 HydrophobicContact CB-CG1 4.44Å; V1585-I1590 HydrophobicContact CG1-CD1 4.34Å; V1585-I1590 HydrophobicContact CG1-CG1 3.82Å |
| 1586 | N | 77.2 | Confident | 63.5 | Low | 106 Ų | 106 | 82 Ų | 82 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | trans | -65.9 | 134.9 | 177.6 | -79.6 | -66.9 | 0 | 0 | 0 | 111.7 | Q1588 S1589 I1590 | N1586-Q1588 PolarHBondContact O-N 3.19Å; N1586-Q1588 VanDerWaalsContact O-N 3.1Å; N1586-S1589 WeakPolarHBondContact O-CA 3.44Å; N1586-S1589 WeakPolarHBondContact O-CB 3.47Å; N1586-S1589 PolarHBondContact O-N 2.96Å; N1586-I1590 PolarHBondContact O-N 3.14Å; N1586-I1590 VanDerWaalsContact O-N 3.14Å | ||
| 1587 | L | 81.6 | Confident | 66 | Low | 68 Ų | 68 | 75 Ų | 75 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.2 | -27.9 | 178.9 | -170.9 | 65.2 | 0 | 0 | 0 | 112.9 | L1591 L1625 | L1587-L1591 WeakPolarHBondContact O-CB 3.5Å; L1587-L1591 PolarHBondContact O-N 2.87Å; L1587-L1625 HydrophobicContact CD1-CD1 3.98Å; L1587-L1625 HydrophobicContact CD1-CD2 4.17Å; L1587-L1625 HydrophobicContact CD1-CG 3.95Å |
| 1588 | Q | 81.6 | Confident | 68.6 | Low | 143 Ų | 143 | 66.5 Ų | 66.5 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.4 | -36.8 | 172.7 | -64.4 | -68 | 1.4 | 0 | 0 | 112.6 | N1586 L1591 H1592 | N1586-Q1588 PolarHBondContact O-N 3.19Å; N1586-Q1588 VanDerWaalsContact O-N 3.1Å; Q1588-L1591 PolarHBondContact O-N 3.1Å; Q1588-H1592 WeakPolarHBondContact O-CB 3.26Å; Q1588-H1592 PolarHBondContact O-N 3.45Å |
| 1589 | S | 82.2 | Confident | 71.2 | Confident | 36 Ų | 36 | 66 Ų | 66 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 175.4 | -51.9 | 0 | 0 | 0 | 0 | 111.2 | N1586 L1591 H1592 A1593 | N1586-S1589 WeakPolarHBondContact O-CA 3.44Å; N1586-S1589 WeakPolarHBondContact O-CB 3.47Å; N1586-S1589 PolarHBondContact O-N 2.96Å; S1589-L1591 VanDerWaalsContact C-N 3.35Å; S1589-H1592 PolarHBondContact O-N 3.18Å; S1589-A1593 WeakPolarHBondContact O-CB 3.2Å; S1589-A1593 PolarHBondContact O-N 3.1Å |
| 1590 | I | 83.9 | Confident | 73.3 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 171.7 | -59.3 | 175.7 | 0 | 0 | 0 | 110.2 | I1560 L1563 E1564 V1585 N1586 H1592 A1593 C1594 L1625 | I1560-I1590 HydrophobicContact CG2-CG2 4.03Å; I1560-I1590 WeakPolarHBondContact O-CG2 3.28Å; L1563-I1590 HydrophobicContact CB-CD1 3.97Å; L1563-I1590 HydrophobicContact CB-CG1 4.31Å; E1564-I1590 HydrophobicContact CB-CD1 4.27Å; V1585-I1590 HydrophobicContact CB-CD1 4.44Å; V1585-I1590 HydrophobicContact CB-CG1 4.44Å; V1585-I1590 HydrophobicContact CG1-CD1 4.34Å; V1585-I1590 HydrophobicContact CG1-CG1 3.82Å; N1586-I1590 PolarHBondContact O-N 3.14Å; N1586-I1590 VanDerWaalsContact O-N 3.14Å; I1590-H1592 VanDerWaalsContact C-N 3.33Å; I1590-H1592 PolarHBondContact O-N 2.83Å; I1590-A1593 PolarHBondContact O-N 3.43Å; I1590-C1594 PolarHBondContact O-N 2.88Å; I1590-C1594 PolarHBondContact O-SG 3.29Å; I1590-L1625 HydrophobicContact CB-CD1 4.48Å; I1590-L1625 HydrophobicContact CG2-CD1 3.76Å |
| 1591 | L | 84.1 | Confident | 75.6 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67 | -31.2 | 178.9 | -171.8 | 147.6 | 0 | 0 | 0 | 112.6 | L1587 Q1588 S1589 R1595 L1625 | L1587-L1591 WeakPolarHBondContact O-CB 3.5Å; L1587-L1591 PolarHBondContact O-N 2.87Å; Q1588-L1591 PolarHBondContact O-N 3.1Å; S1589-L1591 VanDerWaalsContact C-N 3.35Å; L1591-R1595 VanDerWaalsContact CD2-NE 3.32Å; L1591-R1595 VanDerWaalsContact O-CG 3.3Å; L1591-R1595 WeakPolarHBondContact O-CG 3.26Å; L1591-R1595 PolarHBondContact O-N 2.91Å; L1591-L1625 HydrophobicContact CB-CD1 4.41Å; L1591-L1625 HydrophobicContact CD1-CD2 4.11Å |
| 1592 | H | 83.4 | Confident | 77.5 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -49.9 | 168.6 | 176.3 | 90.4 | 0 | 0 | 0 | 111.1 | E1508 Q1588 S1589 I1590 C1594 R1595 V1596 | E1508-H1592 WeakPolarHBondContact CG-CE1 3.42Å; E1508-H1592 IonicContact OE1-CE1 2.68Å; E1508-H1592 PolarHBondContact OE1-CE1 3.49Å; E1508-H1592 IonicContact OE1-ND1 2.77Å; E1508-H1592 PolarHBondContact OE1-ND1 3.06Å; E1508-H1592 VanDerWaalsContact OE1-ND1 3.16Å; Q1588-H1592 WeakPolarHBondContact O-CB 3.26Å; Q1588-H1592 PolarHBondContact O-N 3.45Å; S1589-H1592 PolarHBondContact O-N 3.18Å; I1590-H1592 VanDerWaalsContact C-N 3.33Å; I1590-H1592 PolarHBondContact O-N 2.83Å; H1592-C1594 VanDerWaalsContact C-N 3.32Å; H1592-C1594 PolarHBondContact O-N 3.37Å; H1592-R1595 WeakPolarHBondContact O-CA 3.26Å; H1592-R1595 WeakPolarHBondContact O-CB 3.27Å; H1592-R1595 PolarHBondContact O-N 3.5Å; H1592-V1596 VanDerWaalsContact NE2-CG2 3.26Å; H1592-V1596 WeakPolarHBondContact NE2-CG2 3.41Å; H1592-V1596 PolarHBondContact O-N 3.23Å |
| 1593 | A | 84 | Confident | 79.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1504 L1515 I1560 S1589 I1590 R1595 V1596 C1597 | I1504-A1593 HydrophobicContact CD1-CB 4.13Å; L1515-A1593 HydrophobicContact CD1-CB 3.82Å; I1560-A1593 HydrophobicContact CD1-CB 4.33Å; I1560-A1593 HydrophobicContact CG2-CB 3.87Å; S1589-A1593 WeakPolarHBondContact O-CB 3.2Å; S1589-A1593 PolarHBondContact O-N 3.1Å; I1590-A1593 PolarHBondContact O-N 3.43Å; A1593-R1595 VanDerWaalsContact C-N 3.31Å; A1593-R1595 PolarHBondContact O-N 2.91Å; A1593-V1596 WeakPolarHBondContact O-CB 3.22Å; A1593-V1596 PolarHBondContact O-N 3.18Å; A1593-V1596 VanDerWaalsContact O-N 3.1Å; A1593-C1597 PolarHBondContact O-N 3.3Å; A1593-C1597 PolarHBondContact O-SG 2.76Å; A1593-C1597 VanDerWaalsContact O-SG 3.39Å |
| 1594 | C | 85.3 | Confident | 80.6 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 172.9 | -73.1 | 0 | 0 | 0 | 0 | 113.4 | H1561 I1590 H1592 F1598 | H1561-C1594 VanDerWaalsContact CE1-SG 3.57Å; I1590-C1594 PolarHBondContact O-N 2.88Å; I1590-C1594 PolarHBondContact O-SG 3.29Å; H1592-C1594 VanDerWaalsContact C-N 3.32Å; H1592-C1594 PolarHBondContact O-N 3.37Å; C1594-F1598 WeakPolarHBondContact O-CB 3.11Å; C1594-F1598 WeakPolarHBondContact O-CD2 3.39Å; C1594-F1598 PolarHBondContact O-N 3.42Å |
| 1595 | R | 86.3 | Confident | 81.6 | Confident | 143 Ų | 143 | 54.6 Ų | 54.6 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 172.9 | -73.8 | 169.6 | -177 | -178.9 | 4.5 | 112 | L1591 H1592 A1593 F1598 A1599 | L1591-R1595 VanDerWaalsContact CD2-NE 3.32Å; L1591-R1595 VanDerWaalsContact O-CG 3.3Å; L1591-R1595 WeakPolarHBondContact O-CG 3.26Å; L1591-R1595 PolarHBondContact O-N 2.91Å; H1592-R1595 WeakPolarHBondContact O-CA 3.26Å; H1592-R1595 WeakPolarHBondContact O-CB 3.27Å; H1592-R1595 PolarHBondContact O-N 3.5Å; A1593-R1595 VanDerWaalsContact C-N 3.31Å; A1593-R1595 PolarHBondContact O-N 2.91Å; R1595-F1598 PolarHBondContact O-N 2.89Å; R1595-A1599 PolarHBondContact O-N 3.36Å |
| 1596 | V | 83.8 | Confident | 82.4 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 9% | 0.085 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 175.3 | 176 | 0 | 0 | 0 | 0 | 110.3 | K1512 L1515 H1592 A1593 F1598 A1599 | K1512-V1596 HydrophobicContact CG-CG1 4.26Å; L1515-V1596 HydrophobicContact CB-CG1 3.89Å; L1515-V1596 HydrophobicContact CD1-CB 3.92Å; L1515-V1596 HydrophobicContact CD1-CG1 3.98Å; L1515-V1596 HydrophobicContact CD1-CG2 4.43Å; H1592-V1596 VanDerWaalsContact NE2-CG2 3.26Å; H1592-V1596 WeakPolarHBondContact NE2-CG2 3.41Å; H1592-V1596 PolarHBondContact O-N 3.23Å; A1593-V1596 WeakPolarHBondContact O-CB 3.22Å; A1593-V1596 PolarHBondContact O-N 3.18Å; A1593-V1596 VanDerWaalsContact O-N 3.1Å; V1596-F1598 PolarHBondContact O-N 3.07Å; V1596-A1599 VanDerWaalsContact O-CB 3.32Å; V1596-A1599 WeakPolarHBondContact O-CB 3.49Å; V1596-A1599 PolarHBondContact O-N 3.5Å; V1596-A1599 VanDerWaalsContact O-N 3.11Å |
| 1597 | C | 83.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 174.3 | -63 | 0 | 0 | 0 | 0 | 112.1 | L1557 I1560 A1593 A1599 E1600 F1604 | L1557-C1597 HydrophobicContact CD1-CB 4.22Å; I1560-C1597 VanDerWaalsContact CD1-SG 3.59Å; A1593-C1597 PolarHBondContact O-N 3.3Å; A1593-C1597 PolarHBondContact O-SG 2.76Å; A1593-C1597 VanDerWaalsContact O-SG 3.39Å; C1597-A1599 PolarHBondContact O-N 2.89Å; C1597-E1600 PolarHBondContact O-N 3.28Å; C1597-E1600 VanDerWaalsContact O-N 3.17Å; C1597-F1604 HydrophobicContact CB-CE2 3.72Å; C1597-F1604 HydrophobicContact CB-CZ 3.87Å; C1597-F1604 WeakPolarHBondContact O-CD2 3.37Å; C1597-F1604 VanDerWaalsContact O-CE2 3.24Å; C1597-F1604 WeakPolarHBondContact O-CE2 3.48Å |
| 1598 | F | 85.2 | Confident | 82.9 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70 | -9.3 | 178.7 | -80.1 | -57.7 | 0 | 0 | 0 | 114.9 | C1594 R1595 V1596 L1609 T1629 Q1632 L1636 | C1594-F1598 WeakPolarHBondContact O-CB 3.11Å; C1594-F1598 WeakPolarHBondContact O-CD2 3.39Å; C1594-F1598 PolarHBondContact O-N 3.42Å; R1595-F1598 PolarHBondContact O-N 2.89Å; V1596-F1598 PolarHBondContact O-N 3.07Å; F1598-L1609 HydrophobicContact CE1-CD1 4.42Å; F1598-L1609 HydrophobicContact CE1-CD2 3.7Å; F1598-L1609 HydrophobicContact CZ-CD2 4.32Å; F1598-T1629 HydrophobicContact CE2-CG2 4.1Å; F1598-T1629 HydrophobicContact CZ-CG2 3.83Å; F1598-Q1632 HydrophobicContact CD2-CB 4.36Å; F1598-Q1632 HydrophobicContact CE1-CB 4.48Å; F1598-Q1632 HydrophobicContact CE2-CB 3.98Å; F1598-Q1632 HydrophobicContact CZ-CB 4.03Å; F1598-L1636 HydrophobicContact CB-CD1 4.4Å; F1598-L1636 HydrophobicContact CD1-CD1 3.39Å; F1598-L1636 HydrophobicContact CE1-CD1 3.94Å; F1598-L1636 HydrophobicContact CG-CD1 4.22Å |
| 1599 | A | 83.4 | Confident | 83.2 | Confident | 64 Ų | 64 | 53 Ų | 53 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72 | -35.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1595 V1596 C1597 R1601 | R1595-A1599 PolarHBondContact O-N 3.36Å; V1596-A1599 VanDerWaalsContact O-CB 3.32Å; V1596-A1599 WeakPolarHBondContact O-CB 3.49Å; V1596-A1599 PolarHBondContact O-N 3.5Å; V1596-A1599 VanDerWaalsContact O-N 3.11Å; C1597-A1599 PolarHBondContact O-N 2.89Å; A1599-R1601 PolarHBondContact O-N 3.01Å |
| 1600 | E | 78.2 | Confident | 83.5 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | trans | -80.4 | 64.4 | -179.6 | -65 | -53.8 | 150.2 | 0 | 0 | 112.7 | L1519 C1597 R1602 L1603 F1604 | L1519-E1600 HydrophobicContact CD1-CG 4.25Å; C1597-E1600 PolarHBondContact O-N 3.28Å; C1597-E1600 VanDerWaalsContact O-N 3.17Å; E1600-R1602 PolarHBondContact O-N 2.75Å; E1600-L1603 HydrophobicContact CB-CB 4.39Å; E1600-L1603 HydrophobicContact CB-CD1 3.8Å; E1600-L1603 HydrophobicContact CB-CG 4.09Å; E1600-L1603 HydrophobicContact CG-CD1 4.21Å; E1600-L1603 PolarHBondContact O-N 3.24Å; E1600-F1604 PolarHBondContact O-N 3.31Å | ||
| 1601 | R | 79.6 | Confident | 83.7 | Confident | 183 Ų | 183 | 55.7 Ų | 55.7 | 69% | 0.691 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -19.9 | -178.2 | -59.3 | -173.6 | -173 | -177.4 | 3.4 | 114.8 | A1599 L1636 | A1599-R1601 PolarHBondContact O-N 3.01Å; R1601-L1636 HydrophobicContact CG-CD2 4.22Å |
| 1602 | R | 77 | Confident | 83.9 | Confident | 177 Ų | 177 | 54.7 Ų | 54.7 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -27.4 | 176.9 | -70.1 | 174.5 | 174.4 | 167.6 | -1.1 | 112.9 | L1454 E1600 | L1454-R1602 HydrophobicContact CD2-CG 4.33Å; E1600-R1602 PolarHBondContact O-N 2.75Å |
| 1603 | L | 77.6 | Confident | 84.1 | Confident | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -37.1 | -175.6 | -54.5 | 178.9 | 0 | 0 | 0 | 111.7 | L1519 V1523 E1600 T1605 R1608 | L1519-L1603 HydrophobicContact CB-CD1 3.68Å; L1519-L1603 HydrophobicContact CD2-CD1 4.21Å; L1519-L1603 HydrophobicContact CG-CD1 4.39Å; V1523-L1603 HydrophobicContact CB-CD2 4.19Å; V1523-L1603 HydrophobicContact CG1-CD2 4.31Å; V1523-L1603 HydrophobicContact CG2-CD2 3.75Å; E1600-L1603 HydrophobicContact CB-CB 4.39Å; E1600-L1603 HydrophobicContact CB-CD1 3.8Å; E1600-L1603 HydrophobicContact CB-CG 4.09Å; E1600-L1603 HydrophobicContact CG-CD1 4.21Å; E1600-L1603 PolarHBondContact O-N 3.24Å; L1603-T1605 PolarHBondContact O-N 2.83Å; L1603-R1608 WeakPolarHBondContact O-CD 3.27Å; L1603-R1608 PolarHBondContact O-NH1 3.32Å |
| 1604 | F | 82.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -91 | 76.6 | 178.6 | -70.7 | -78.3 | 0 | 0 | 0 | 111.7 | L1519 P1553 L1557 C1597 E1600 L1609 H1637 | L1519-F1604 HydrophobicContact CD1-CE2 4.48Å; L1519-F1604 HydrophobicContact CD2-CE2 3.69Å; L1519-F1604 HydrophobicContact CD2-CZ 3.86Å; P1553-F1604 HydrophobicContact CB-CE1 4.09Å; P1553-F1604 HydrophobicContact CB-CZ 4.04Å; P1553-F1604 VanDerWaalsContact O-CE1 3.3Å; P1553-F1604 WeakPolarHBondContact O-CE1 3.44Å; P1553-F1604 WeakPolarHBondContact O-CZ 3.23Å; L1557-F1604 HydrophobicContact CB-CE1 3.86Å; L1557-F1604 HydrophobicContact CB-CZ 4.27Å; L1557-F1604 HydrophobicContact CD2-CD1 4.21Å; L1557-F1604 HydrophobicContact CD2-CE1 3.87Å; L1557-F1604 HydrophobicContact CG-CE1 4.39Å; C1597-F1604 HydrophobicContact CB-CE2 3.72Å; C1597-F1604 HydrophobicContact CB-CZ 3.87Å; C1597-F1604 WeakPolarHBondContact O-CD2 3.37Å; C1597-F1604 VanDerWaalsContact O-CE2 3.24Å; C1597-F1604 WeakPolarHBondContact O-CE2 3.48Å; E1600-F1604 PolarHBondContact O-N 3.31Å; F1604-L1609 HydrophobicContact CB-CD1 4.13Å; F1604-L1609 HydrophobicContact CB-CD2 4.1Å; F1604-L1609 HydrophobicContact CB-CG 4.02Å; F1604-L1609 HydrophobicContact CD1-CD2 3.81Å; F1604-L1609 HydrophobicContact CD1-CG 4.36Å; F1604-L1609 HydrophobicContact CG-CD2 4.32Å; F1604-H1637 PolarHBondContact O-NE2 2.88Å |
| 1605 | T | 85 | Confident | 84.4 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 30% | 0.301 | 26% | 0.263 | S | S | . | . | trans | -69.6 | 166.6 | 173.7 | 65.4 | 0 | 0 | 0 | 0 | 112 | L1603 E1607 R1608 L1609 | L1603-T1605 PolarHBondContact O-N 2.83Å; T1605-E1607 VanDerWaalsContact C-N 3.26Å; T1605-E1607 PolarHBondContact O-N 3.42Å; T1605-R1608 PolarHBondContact O-N 2.87Å; T1605-R1608 PolarHBondContact OG1-N 2.97Å; T1605-L1609 WeakPolarHBondContact O-CB 3.45Å; T1605-L1609 WeakPolarHBondContact O-CG 3.11Å; T1605-L1609 PolarHBondContact O-N 3.14Å | ||
| 1606 | Q | 84.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.6 | -43.2 | 174.8 | 160.4 | 162.7 | 4.1 | 0 | 0 | 112.4 | S1610 H1637 R1639 L1640 | Q1606-S1610 WeakPolarHBondContact O-CB 3.49Å; Q1606-S1610 PolarHBondContact O-N 2.97Å; Q1606-H1637 HydrophobicContact CB-CB 4.41Å; Q1606-R1639 PolarHBondContact NE2-O 3.35Å; Q1606-L1640 HydrophobicContact CB-CD1 3.87Å; Q1606-L1640 HydrophobicContact CG-CD1 3.63Å; Q1606-L1640 HydrophobicContact CG-CG 4.07Å |
| 1607 | E | 84.5 | Confident | 84.6 | Confident | 148 Ų | 148 | 49 Ų | 49 | 69% | 0.692 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.3 | -54.1 | -179 | -70.5 | 150.8 | -165.5 | 0 | 0 | 111.5 | T1605 L1609 S1610 V1611 | T1605-E1607 VanDerWaalsContact C-N 3.26Å; T1605-E1607 PolarHBondContact O-N 3.42Å; E1607-L1609 VanDerWaalsContact C-N 3.29Å; E1607-L1609 PolarHBondContact O-N 3.31Å; E1607-S1610 WeakPolarHBondContact O-CA 3.4Å; E1607-S1610 WeakPolarHBondContact O-CB 3.5Å; E1607-S1610 PolarHBondContact O-N 2.67Å; E1607-S1610 PolarHBondContact O-OG 3.17Å; E1607-V1611 PolarHBondContact O-N 2.95Å |
| 1608 | R | 84.9 | Confident | 84.6 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 28% | 0.275 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 178.7 | -73.1 | 179.4 | 165.8 | 165.4 | -3.2 | 112.5 | E1554 L1603 T1605 V1611 A1612 | E1554-R1608 WeakPolarHBondContact OE2-CD 3.37Å; E1554-R1608 VanDerWaalsContact OE2-CG 3.3Å; E1554-R1608 WeakPolarHBondContact OE2-CG 3.42Å; E1554-R1608 IonicContact OE2-NE 2.86Å; E1554-R1608 PolarHBondContact OE2-NE 3Å; L1603-R1608 WeakPolarHBondContact O-CD 3.27Å; L1603-R1608 PolarHBondContact O-NH1 3.32Å; T1605-R1608 PolarHBondContact O-N 2.87Å; T1605-R1608 PolarHBondContact OG1-N 2.97Å; R1608-V1611 PolarHBondContact O-N 3.35Å; R1608-A1612 PolarHBondContact O-N 2.97Å |
| 1609 | L | 88.5 | Confident | 84.4 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67 | -34.4 | 174 | -73.5 | 170.9 | 0 | 0 | 0 | 112.6 | L1557 F1598 F1604 T1605 E1607 I1613 A1633 | L1557-L1609 HydrophobicContact CD2-CD2 3.96Å; F1598-L1609 HydrophobicContact CE1-CD1 4.42Å; F1598-L1609 HydrophobicContact CE1-CD2 3.7Å; F1598-L1609 HydrophobicContact CZ-CD2 4.32Å; F1604-L1609 HydrophobicContact CB-CD1 4.13Å; F1604-L1609 HydrophobicContact CB-CD2 4.1Å; F1604-L1609 HydrophobicContact CB-CG 4.02Å; F1604-L1609 HydrophobicContact CD1-CD2 3.81Å; F1604-L1609 HydrophobicContact CD1-CG 4.36Å; F1604-L1609 HydrophobicContact CG-CD2 4.32Å; T1605-L1609 WeakPolarHBondContact O-CB 3.45Å; T1605-L1609 WeakPolarHBondContact O-CG 3.11Å; T1605-L1609 PolarHBondContact O-N 3.14Å; E1607-L1609 VanDerWaalsContact C-N 3.29Å; E1607-L1609 PolarHBondContact O-N 3.31Å; L1609-I1613 WeakPolarHBondContact O-CB 3.47Å; L1609-I1613 WeakPolarHBondContact O-CD1 3.47Å; L1609-I1613 WeakPolarHBondContact O-CG1 3.49Å; L1609-I1613 PolarHBondContact O-N 2.72Å; L1609-A1633 HydrophobicContact CD1-CB 4.32Å |
| 1610 | S | 87.8 | Confident | 84 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -37 | 173.7 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | Q1606 E1607 G1614 Y1643 | Q1606-S1610 WeakPolarHBondContact O-CB 3.49Å; Q1606-S1610 PolarHBondContact O-N 2.97Å; E1607-S1610 WeakPolarHBondContact O-CA 3.4Å; E1607-S1610 WeakPolarHBondContact O-CB 3.5Å; E1607-S1610 PolarHBondContact O-N 2.67Å; E1607-S1610 PolarHBondContact O-OG 3.17Å; S1610-G1614 PolarHBondContact O-N 2.72Å; S1610-Y1643 PolarHBondContact O-OH 3.37Å |
| 1611 | V | 87.6 | Confident | 84 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 40% | 0.4 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | E1554 E1607 R1608 I1613 G1614 Q1615 | E1554-V1611 HydrophobicContact CG-CG1 4.27Å; E1607-V1611 PolarHBondContact O-N 2.95Å; R1608-V1611 PolarHBondContact O-N 3.35Å; V1611-I1613 PolarHBondContact O-N 2.93Å; V1611-G1614 PolarHBondContact O-N 3.25Å; V1611-G1614 VanDerWaalsContact O-N 3.14Å; V1611-Q1615 HydrophobicContact CG1-CG 4.5Å; V1611-Q1615 WeakPolarHBondContact O-CG 3.24Å; V1611-Q1615 PolarHBondContact O-N 3.04Å |
| 1612 | A | 87.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1554 L1557 V1558 R1608 G1614 Q1615 L1616 | E1554-A1612 HydrophobicContact CB-CB 4.08Å; L1557-A1612 HydrophobicContact CD2-CB 4.21Å; V1558-A1612 HydrophobicContact CG2-CB 4.26Å; R1608-A1612 PolarHBondContact O-N 2.97Å; A1612-G1614 VanDerWaalsContact C-N 3.33Å; A1612-G1614 PolarHBondContact O-N 3.24Å; A1612-Q1615 PolarHBondContact O-N 3.16Å; A1612-L1616 WeakPolarHBondContact O-CB 3.25Å; A1612-L1616 WeakPolarHBondContact O-CG 3.44Å; A1612-L1616 PolarHBondContact O-N 2.96Å |
| 1613 | I | 89.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -35.8 | 175.7 | -70.9 | 166.6 | 0 | 0 | 0 | 111.3 | L1609 V1611 L1617 F1626 V1630 A1633 L1640 Y1643 V1647 | L1609-I1613 WeakPolarHBondContact O-CB 3.47Å; L1609-I1613 WeakPolarHBondContact O-CD1 3.47Å; L1609-I1613 WeakPolarHBondContact O-CG1 3.49Å; L1609-I1613 PolarHBondContact O-N 2.72Å; V1611-I1613 PolarHBondContact O-N 2.93Å; I1613-L1617 WeakPolarHBondContact O-CB 3.3Å; I1613-L1617 PolarHBondContact O-N 3.31Å; I1613-F1626 HydrophobicContact CG2-CE2 4.21Å; I1613-F1626 HydrophobicContact CG2-CZ 4.18Å; I1613-V1630 HydrophobicContact CD1-CG2 4.26Å; I1613-V1630 HydrophobicContact CG1-CG2 4.32Å; I1613-V1630 HydrophobicContact CG2-CG2 4.05Å; I1613-A1633 HydrophobicContact CD1-CB 3.75Å; I1613-L1640 HydrophobicContact CD1-CD2 4.32Å; I1613-Y1643 HydrophobicContact CB-CE1 4.44Å; I1613-Y1643 HydrophobicContact CG2-CE1 4.04Å; I1613-V1647 HydrophobicContact CG2-CG1 4.48Å; I1613-V1647 HydrophobicContact CG2-CG2 4.13Å |
| 1614 | G | 87.8 | Confident | 84.5 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -53.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1610 V1611 A1612 L1616 L1617 E1618 | S1610-G1614 PolarHBondContact O-N 2.72Å; V1611-G1614 PolarHBondContact O-N 3.25Å; V1611-G1614 VanDerWaalsContact O-N 3.14Å; A1612-G1614 VanDerWaalsContact C-N 3.33Å; A1612-G1614 PolarHBondContact O-N 3.24Å; G1614-L1616 VanDerWaalsContact C-N 3.29Å; G1614-L1616 PolarHBondContact O-N 3.08Å; G1614-L1617 WeakPolarHBondContact O-CA 3.24Å; G1614-L1617 WeakPolarHBondContact O-CB 3.5Å; G1614-L1617 PolarHBondContact O-N 2.86Å; G1614-E1618 WeakPolarHBondContact O-CG 3.21Å; G1614-E1618 PolarHBondContact O-N 3.17Å |
| 1615 | Q | 86.7 | Confident | 84.6 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.8 | -34.1 | 179.3 | -70.6 | 176.9 | -13.5 | 0 | 0 | 112.8 | V1558 V1611 A1612 Q1619 | V1558-Q1615 HydrophobicContact CG2-CB 4.05Å; V1611-Q1615 HydrophobicContact CG1-CG 4.5Å; V1611-Q1615 WeakPolarHBondContact O-CG 3.24Å; V1611-Q1615 PolarHBondContact O-N 3.04Å; A1612-Q1615 PolarHBondContact O-N 3.16Å; Q1615-Q1619 WeakPolarHBondContact O-CG 3.44Å; Q1615-Q1619 PolarHBondContact O-NE2 2.97Å |
| 1616 | L | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73 | -33.5 | 172.2 | -68.8 | 173.2 | 0 | 0 | 0 | 113 | V1558 H1561 A1612 G1614 E1618 L1622 P1623 F1626 | V1558-L1616 HydrophobicContact CB-CD2 4.49Å; V1558-L1616 HydrophobicContact CG1-CD2 4.25Å; V1558-L1616 HydrophobicContact CG2-CD2 4.3Å; V1558-L1616 HydrophobicContact CG2-CG 4.15Å; H1561-L1616 HydrophobicContact CB-CD2 3.73Å; A1612-L1616 WeakPolarHBondContact O-CB 3.25Å; A1612-L1616 WeakPolarHBondContact O-CG 3.44Å; A1612-L1616 PolarHBondContact O-N 2.96Å; G1614-L1616 VanDerWaalsContact C-N 3.29Å; G1614-L1616 PolarHBondContact O-N 3.08Å; L1616-E1618 VanDerWaalsContact C-N 3.34Å; L1616-L1622 WeakPolarHBondContact O-CD2 3.46Å; L1616-P1623 HydrophobicContact CD2-CG 4.24Å; L1616-F1626 HydrophobicContact CB-CD2 3.71Å; L1616-F1626 HydrophobicContact CB-CE2 3.78Å; L1616-F1626 HydrophobicContact CD1-CD2 4.39Å |
| 1617 | L | 86.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.1 | -29.7 | 176.2 | 178.3 | 66.6 | 0 | 0 | 0 | 112.1 | I1613 G1614 L1622 F1626 V1647 R1650 L1651 K1654 | I1613-L1617 WeakPolarHBondContact O-CB 3.3Å; I1613-L1617 PolarHBondContact O-N 3.31Å; G1614-L1617 WeakPolarHBondContact O-CA 3.24Å; G1614-L1617 WeakPolarHBondContact O-CB 3.5Å; G1614-L1617 PolarHBondContact O-N 2.86Å; L1617-L1622 HydrophobicContact CD1-CD2 4.42Å; L1617-F1626 HydrophobicContact CB-CE2 4.34Å; L1617-F1626 HydrophobicContact CB-CZ 4.17Å; L1617-F1626 HydrophobicContact CD1-CZ 4.26Å; L1617-V1647 HydrophobicContact CD1-CG1 4.38Å; L1617-V1647 HydrophobicContact CD2-CB 4.47Å; L1617-V1647 HydrophobicContact CD2-CG1 4.1Å; L1617-V1647 HydrophobicContact CD2-CG2 4.21Å; L1617-R1650 HydrophobicContact CD2-CB 3.98Å; L1617-R1650 HydrophobicContact CD2-CG 4.49Å; L1617-L1651 HydrophobicContact CD1-CD2 3.7Å; L1617-L1651 HydrophobicContact CD1-CG 4.11Å; L1617-K1654 PolarHBondContact O-NZ 3.29Å |
| 1618 | E | 84.6 | Confident | 85 | Confident | 134 Ų | 134 | 41.1 Ų | 41.1 | 63% | 0.626 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -71.1 | -33.8 | 179.6 | -79 | 160 | -166.9 | 0 | 0 | 112.5 | G1614 L1616 K1654 | G1614-E1618 WeakPolarHBondContact O-CG 3.21Å; G1614-E1618 PolarHBondContact O-N 3.17Å; L1616-E1618 VanDerWaalsContact C-N 3.34Å; E1618-K1654 PolarHBondContact O-NZ 2.77Å |
| 1619 | Q | 79.7 | Confident | 85.1 | Confident | 58 Ų | 58 | 37.8 Ų | 37.8 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -45.9 | 142 | -179.9 | -59.6 | -53 | -48.7 | 0 | 0 | 114 | L1562 Q1615 V1621 K1654 | L1562-Q1619 HydrophobicContact CD2-CG 4.31Å; Q1615-Q1619 WeakPolarHBondContact O-CG 3.44Å; Q1615-Q1619 PolarHBondContact O-NE2 2.97Å; Q1619-V1621 VanDerWaalsContact C-N 3.28Å; Q1619-V1621 WeakPolarHBondContact CB-O 3.44Å; Q1619-V1621 PolarHBondContact O-N 3.35Å; Q1619-K1654 PolarHBondContact O-NZ 2.82Å |
| 1620 | P | 75.2 | Confident | 85.2 | Confident | 124 Ų | 124 | 37.8 Ų | 37.8 | 81% | 0.805 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -63.5 | -35 | -177.7 | 25.4 | -34.1 | 0 | 0 | 0 | 112.2 | ||
| 1621 | V | 79.3 | Confident | 85.2 | Confident | 89 Ų | 89 | 38.2 Ų | 38.2 | 54% | 0.539 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -116.8 | 128.2 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | F1565 Q1619 | F1565-V1621 HydrophobicContact CE1-CB 4.49Å; F1565-V1621 HydrophobicContact CE1-CG1 4.05Å; F1565-V1621 HydrophobicContact CZ-CB 4.2Å; F1565-V1621 HydrophobicContact CZ-CG1 3.93Å; Q1619-V1621 VanDerWaalsContact C-N 3.28Å; Q1619-V1621 WeakPolarHBondContact CB-O 3.44Å; Q1619-V1621 PolarHBondContact O-N 3.35Å |
| 1622 | L | 80.9 | Confident | 85.1 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.12 | 19% | 0.193 | C | C | . | . | trans | -78.3 | 126.7 | 177.1 | -63.8 | 172.5 | 0 | 0 | 0 | 109.8 | L1616 L1617 L1651 L1662 | L1616-L1622 WeakPolarHBondContact O-CD2 3.46Å; L1617-L1622 HydrophobicContact CD1-CD2 4.42Å; L1622-L1651 HydrophobicContact CD1-CD2 3.6Å; L1622-L1662 HydrophobicContact CB-CD1 3.82Å; L1622-L1662 HydrophobicContact CD1-CD1 4.22Å | ||
| 1623 | P | 81.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -56.9 | 145.5 | 174.7 | -25.7 | 34.5 | 0 | 0 | 0 | 112.2 | H1561 E1564 F1565 L1616 L1625 F1626 | H1561-P1623 HydrophobicContact CB-CB 4.35Å; H1561-P1623 HydrophobicContact CB-CG 4.18Å; E1564-P1623 VanDerWaalsContact OE2-CA 3.29Å; E1564-P1623 WeakPolarHBondContact OE2-CA 3.41Å; E1564-P1623 WeakPolarHBondContact OE2-CB 3.14Å; F1565-P1623 HydrophobicContact CE2-CG 4.12Å; L1616-P1623 HydrophobicContact CD2-CG 4.24Å; P1623-L1625 PolarHBondContact O-N 2.77Å; P1623-L1625 VanDerWaalsContact O-N 3.17Å; P1623-F1626 WeakPolarHBondContact O-CB 3.42Å; P1623-F1626 PolarHBondContact O-N 2.99Å | ||
| 1624 | T | 82.6 | Confident | 85 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.8 | -174.9 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | E1564 F1626 | E1564-T1624 VanDerWaalsContact OE1-CB 3.32Å; E1564-T1624 WeakPolarHBondContact OE1-CB 3.29Å; E1564-T1624 WeakPolarHBondContact OE1-CG2 3.34Å; E1564-T1624 PolarHBondContact OE1-OG1 2.68Å; E1564-T1624 PolarHBondContact OE2-N 3.49Å; T1624-F1626 VanDerWaalsContact C-N 3.31Å |
| 1625 | L | 84.5 | Confident | 84.9 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -8.9 | 174.6 | -59.7 | -177.4 | 0 | 0 | 0 | 113.9 | L1587 I1590 L1591 P1623 M1627 R1628 T1629 | L1587-L1625 HydrophobicContact CD1-CD1 3.98Å; L1587-L1625 HydrophobicContact CD1-CD2 4.17Å; L1587-L1625 HydrophobicContact CD1-CG 3.95Å; I1590-L1625 HydrophobicContact CB-CD1 4.48Å; I1590-L1625 HydrophobicContact CG2-CD1 3.76Å; L1591-L1625 HydrophobicContact CB-CD1 4.41Å; L1591-L1625 HydrophobicContact CD1-CD2 4.11Å; P1623-L1625 PolarHBondContact O-N 2.77Å; P1623-L1625 VanDerWaalsContact O-N 3.17Å; L1625-M1627 PolarHBondContact O-N 3.02Å; L1625-R1628 WeakPolarHBondContact O-CA 3.41Å; L1625-R1628 VanDerWaalsContact O-CB 3.24Å; L1625-R1628 WeakPolarHBondContact O-CB 3.21Å; L1625-R1628 PolarHBondContact O-N 3.27Å; L1625-T1629 PolarHBondContact O-N 3.42Å; L1625-T1629 PolarHBondContact O-OG1 3.11Å |
| 1626 | F | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.5 | -51.5 | -172.3 | 176.3 | -98.4 | 0 | 0 | 0 | 113.6 | I1613 L1616 L1617 P1623 T1624 R1628 T1629 V1630 V1647 L1651 L1662 | I1613-F1626 HydrophobicContact CG2-CE2 4.21Å; I1613-F1626 HydrophobicContact CG2-CZ 4.18Å; L1616-F1626 HydrophobicContact CB-CD2 3.71Å; L1616-F1626 HydrophobicContact CB-CE2 3.78Å; L1616-F1626 HydrophobicContact CD1-CD2 4.39Å; L1617-F1626 HydrophobicContact CB-CE2 4.34Å; L1617-F1626 HydrophobicContact CB-CZ 4.17Å; L1617-F1626 HydrophobicContact CD1-CZ 4.26Å; P1623-F1626 WeakPolarHBondContact O-CB 3.42Å; P1623-F1626 PolarHBondContact O-N 2.99Å; T1624-F1626 VanDerWaalsContact C-N 3.31Å; F1626-R1628 VanDerWaalsContact C-N 3.26Å; F1626-R1628 PolarHBondContact O-N 3.45Å; F1626-T1629 WeakPolarHBondContact O-CB 3.46Å; F1626-T1629 PolarHBondContact O-N 3.14Å; F1626-T1629 VanDerWaalsContact O-N 3.14Å; F1626-V1630 HydrophobicContact CD1-CG2 4.33Å; F1626-V1630 HydrophobicContact CE1-CG2 3.86Å; F1626-V1630 HydrophobicContact CE2-CG2 4.2Å; F1626-V1630 HydrophobicContact CZ-CG2 3.8Å; F1626-V1630 WeakPolarHBondContact O-CG2 3.3Å; F1626-V1630 PolarHBondContact O-N 3.35Å; F1626-V1647 HydrophobicContact CE1-CG1 4.49Å; F1626-V1647 HydrophobicContact CZ-CG1 4.17Å; F1626-L1651 HydrophobicContact CE1-CD1 4.1Å; F1626-L1651 HydrophobicContact CE1-CD2 3.96Å; F1626-L1662 HydrophobicContact CB-CD2 4.4Å |
| 1627 | M | 87.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -29.1 | 179 | -71.3 | -50.7 | -52.6 | 0 | 0 | 112.7 | L1625 V1630 M1631 L1648 L1651 L1662 C1669 | L1625-M1627 PolarHBondContact O-N 3.02Å; M1627-V1630 HydrophobicContact CE-CG1 4.45Å; M1627-M1631 WeakPolarHBondContact O-CB 3.49Å; M1627-M1631 VanDerWaalsContact O-CG 3.24Å; M1627-M1631 WeakPolarHBondContact O-CG 3.45Å; M1627-M1631 PolarHBondContact O-N 3.08Å; M1627-L1648 HydrophobicContact CE-CD2 4.48Å; M1627-L1651 HydrophobicContact SD-CD1 3.69Å; M1627-L1662 HydrophobicContact CB-CD2 4.43Å; M1627-L1662 HydrophobicContact CG-CB 4.33Å; M1627-L1662 HydrophobicContact CG-CD2 3.98Å; M1627-C1669 HydrophobicContact CE-CB 3.61Å |
| 1628 | R | 86.1 | Confident | 84.6 | Confident | 123 Ų | 123 | 47.4 Ų | 47.4 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 173.2 | -164.6 | -167.2 | 174.3 | 94.8 | 7.9 | 110.4 | L1625 F1626 M1631 Q1632 | L1625-R1628 WeakPolarHBondContact O-CA 3.41Å; L1625-R1628 VanDerWaalsContact O-CB 3.24Å; L1625-R1628 WeakPolarHBondContact O-CB 3.21Å; L1625-R1628 PolarHBondContact O-N 3.27Å; F1626-R1628 VanDerWaalsContact C-N 3.26Å; F1626-R1628 PolarHBondContact O-N 3.45Å; R1628-M1631 CarbonylContact O-C 3.42Å; R1628-M1631 PolarHBondContact O-N 3.43Å; R1628-Q1632 WeakPolarHBondContact O-CB 3.33Å; R1628-Q1632 WeakPolarHBondContact O-CG 3.48Å; R1628-Q1632 PolarHBondContact O-N 3.42Å |
| 1629 | T | 86.8 | Confident | 84.6 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 177 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | H1561 F1598 L1625 F1626 Q1632 A1633 | H1561-T1629 PolarHBondContact CE1-OG1 3.02Å; H1561-T1629 PolarHBondContact NE2-OG1 3.37Å; F1598-T1629 HydrophobicContact CE2-CG2 4.1Å; F1598-T1629 HydrophobicContact CZ-CG2 3.83Å; L1625-T1629 PolarHBondContact O-N 3.42Å; L1625-T1629 PolarHBondContact O-OG1 3.11Å; F1626-T1629 WeakPolarHBondContact O-CB 3.46Å; F1626-T1629 PolarHBondContact O-N 3.14Å; F1626-T1629 VanDerWaalsContact O-N 3.14Å; T1629-Q1632 PolarHBondContact O-N 2.85Å; T1629-A1633 WeakPolarHBondContact O-CB 3.45Å; T1629-A1633 PolarHBondContact O-N 2.98Å |
| 1630 | V | 89.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | I1613 F1626 M1627 Q1632 A1633 L1634 V1644 | I1613-V1630 HydrophobicContact CD1-CG2 4.26Å; I1613-V1630 HydrophobicContact CG1-CG2 4.32Å; I1613-V1630 HydrophobicContact CG2-CG2 4.05Å; F1626-V1630 HydrophobicContact CD1-CG2 4.33Å; F1626-V1630 HydrophobicContact CE1-CG2 3.86Å; F1626-V1630 HydrophobicContact CE2-CG2 4.2Å; F1626-V1630 HydrophobicContact CZ-CG2 3.8Å; F1626-V1630 WeakPolarHBondContact O-CG2 3.3Å; F1626-V1630 PolarHBondContact O-N 3.35Å; M1627-V1630 HydrophobicContact CE-CG1 4.45Å; V1630-Q1632 VanDerWaalsContact C-N 3.31Å; V1630-Q1632 PolarHBondContact O-N 2.81Å; V1630-A1633 PolarHBondContact O-N 3.11Å; V1630-L1634 PolarHBondContact O-N 3.15Å; V1630-V1644 HydrophobicContact CG1-CG1 3.6Å; V1630-V1644 HydrophobicContact CG1-CG2 4.18Å |
| 1631 | M | 88.2 | Confident | 85.3 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 17% | 0.172 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.1 | -26.8 | 177.7 | -73.6 | 176.5 | 70.4 | 0 | 0 | 113.6 | M1627 R1628 A1635 R1668 C1669 K1672 | M1627-M1631 WeakPolarHBondContact O-CB 3.49Å; M1627-M1631 VanDerWaalsContact O-CG 3.24Å; M1627-M1631 WeakPolarHBondContact O-CG 3.45Å; M1627-M1631 PolarHBondContact O-N 3.08Å; R1628-M1631 CarbonylContact O-C 3.42Å; R1628-M1631 PolarHBondContact O-N 3.43Å; M1631-A1635 WeakPolarHBondContact O-CB 3.49Å; M1631-A1635 PolarHBondContact O-N 3.17Å; M1631-R1668 HydrophobicContact CE-CB 3.7Å; M1631-R1668 HydrophobicContact SD-CB 3.99Å; M1631-C1669 HydrophobicContact CG-CB 4.43Å; M1631-K1672 HydrophobicContact CE-CD 4.26Å |
| 1632 | Q | 85.9 | Confident | 85.6 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 23% | 0.229 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -76.9 | -41.8 | 172.5 | -75.6 | 179.9 | -114.7 | 0 | 0 | 111.3 | F1598 R1628 T1629 V1630 A1635 L1636 | F1598-Q1632 HydrophobicContact CD2-CB 4.36Å; F1598-Q1632 HydrophobicContact CE1-CB 4.48Å; F1598-Q1632 HydrophobicContact CE2-CB 3.98Å; F1598-Q1632 HydrophobicContact CZ-CB 4.03Å; R1628-Q1632 WeakPolarHBondContact O-CB 3.33Å; R1628-Q1632 WeakPolarHBondContact O-CG 3.48Å; R1628-Q1632 PolarHBondContact O-N 3.42Å; T1629-Q1632 PolarHBondContact O-N 2.85Å; V1630-Q1632 VanDerWaalsContact C-N 3.31Å; V1630-Q1632 PolarHBondContact O-N 2.81Å; Q1632-A1635 PolarHBondContact O-N 3.14Å; Q1632-A1635 VanDerWaalsContact O-N 3.12Å; Q1632-L1636 WeakPolarHBondContact O-CG 3.43Å; Q1632-L1636 PolarHBondContact O-N 3.03Å |
| 1633 | A | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1609 I1613 T1629 V1630 A1635 L1636 H1637 | L1609-A1633 HydrophobicContact CD1-CB 4.32Å; I1613-A1633 HydrophobicContact CD1-CB 3.75Å; T1629-A1633 WeakPolarHBondContact O-CB 3.45Å; T1629-A1633 PolarHBondContact O-N 2.98Å; V1630-A1633 PolarHBondContact O-N 3.11Å; A1633-A1635 VanDerWaalsContact C-N 3.27Å; A1633-A1635 PolarHBondContact O-N 3.24Å; A1633-L1636 PolarHBondContact O-N 3.47Å; A1633-H1637 PolarHBondContact O-N 3.38Å |
| 1634 | L | 86.5 | Confident | 86.3 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -33 | 172.4 | -79.1 | 179.5 | 0 | 0 | 0 | 113.4 | V1630 L1640 A1641 V1644 T1673 | V1630-L1634 PolarHBondContact O-N 3.15Å; L1634-L1640 HydrophobicContact CD2-CB 4.28Å; L1634-A1641 HydrophobicContact CD2-CB 4.49Å; L1634-V1644 HydrophobicContact CD1-CG1 4.01Å; L1634-V1644 HydrophobicContact CD2-CB 4.08Å; L1634-V1644 HydrophobicContact CD2-CG1 4.44Å; L1634-V1644 HydrophobicContact CD2-CG2 3.84Å; L1634-V1644 HydrophobicContact CG-CB 4.47Å; L1634-V1644 HydrophobicContact CG-CG1 4.37Å; L1634-V1644 HydrophobicContact CG-CG2 4.11Å; L1634-T1673 HydrophobicContact CD1-CG2 4.05Å |
| 1635 | A | 86.4 | Confident | 86.5 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 62% | 0.62 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -78.5 | -23 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1631 Q1632 A1633 | M1631-A1635 WeakPolarHBondContact O-CB 3.49Å; M1631-A1635 PolarHBondContact O-N 3.17Å; Q1632-A1635 PolarHBondContact O-N 3.14Å; Q1632-A1635 VanDerWaalsContact O-N 3.12Å; A1633-A1635 VanDerWaalsContact C-N 3.27Å; A1633-A1635 PolarHBondContact O-N 3.24Å |
| 1636 | L | 84.5 | Confident | 86.6 | Confident | 52 Ų | 52 | 46.8 Ų | 46.8 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -88.2 | -42.2 | 174.9 | -70.5 | 169.8 | 0 | 0 | 0 | 112.2 | F1598 R1601 Q1632 A1633 | F1598-L1636 HydrophobicContact CB-CD1 4.4Å; F1598-L1636 HydrophobicContact CD1-CD1 3.39Å; F1598-L1636 HydrophobicContact CE1-CD1 3.94Å; F1598-L1636 HydrophobicContact CG-CD1 4.22Å; R1601-L1636 HydrophobicContact CG-CD2 4.22Å; Q1632-L1636 WeakPolarHBondContact O-CG 3.43Å; Q1632-L1636 PolarHBondContact O-N 3.03Å; A1633-L1636 PolarHBondContact O-N 3.47Å |
| 1637 | H | 85.4 | Confident | 86.6 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | trans | -132.6 | 84.2 | -174.7 | -64 | -79.8 | 0 | 0 | 0 | 110.3 | F1604 Q1606 A1633 R1639 L1640 | F1604-H1637 PolarHBondContact O-NE2 2.88Å; Q1606-H1637 HydrophobicContact CB-CB 4.41Å; A1633-H1637 PolarHBondContact O-N 3.38Å; H1637-R1639 PolarHBondContact O-N 3.19Å; H1637-L1640 HydrophobicContact CB-CD1 3.53Å; H1637-L1640 WeakPolarHBondContact O-CB 3.39Å; H1637-L1640 PolarHBondContact O-N 3.07Å | ||
| 1638 | P | 85.5 | Confident | 86.6 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 62% | 0.623 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -62 | -19.2 | -176.4 | 23.8 | -34.3 | 0 | 0 | 0 | 113.8 | L1640 A1641 | P1638-L1640 PolarHBondContact O-N 2.92Å; P1638-A1641 WeakPolarHBondContact O-CB 3.47Å; P1638-A1641 PolarHBondContact O-N 2.68Å; P1638-A1641 VanDerWaalsContact O-N 3.08Å |
| 1639 | R | 83.7 | Confident | 86.6 | Confident | 214 Ų | 214 | 42.2 Ų | 42.2 | 81% | 0.808 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -61.3 | -16.6 | 171.6 | -72.3 | -175.9 | 179.7 | -162.1 | 0.1 | 113.9 | Q1606 H1637 A1641 | Q1606-R1639 PolarHBondContact NE2-O 3.35Å; H1637-R1639 PolarHBondContact O-N 3.19Å; R1639-A1641 PolarHBondContact O-N 3.48Å |
| 1640 | L | 86.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -68.5 | -10.5 | 170.4 | -94.2 | 107.5 | 0 | 0 | 0 | 114.1 | Q1606 I1613 L1634 H1637 P1638 G1642 Y1643 V1644 | Q1606-L1640 HydrophobicContact CB-CD1 3.87Å; Q1606-L1640 HydrophobicContact CG-CD1 3.63Å; Q1606-L1640 HydrophobicContact CG-CG 4.07Å; I1613-L1640 HydrophobicContact CD1-CD2 4.32Å; L1634-L1640 HydrophobicContact CD2-CB 4.28Å; H1637-L1640 HydrophobicContact CB-CD1 3.53Å; H1637-L1640 WeakPolarHBondContact O-CB 3.39Å; H1637-L1640 PolarHBondContact O-N 3.07Å; P1638-L1640 PolarHBondContact O-N 2.92Å; L1640-G1642 VanDerWaalsContact C-N 3.31Å; L1640-G1642 PolarHBondContact O-N 2.9Å; L1640-G1642 VanDerWaalsContact O-N 3.17Å; L1640-Y1643 HydrophobicContact CD2-CD1 4.13Å; L1640-Y1643 WeakPolarHBondContact O-CA 3.49Å; L1640-Y1643 WeakPolarHBondContact O-CB 3.49Å; L1640-Y1643 PolarHBondContact O-N 3.01Å; L1640-V1644 HydrophobicContact CB-CG2 4.2Å; L1640-V1644 HydrophobicContact CD2-CG2 4.36Å; L1640-V1644 PolarHBondContact O-N 3.41Å |
| 1641 | A | 84.8 | Confident | 86.4 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 20% | 0.198 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.4 | -46.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1634 P1638 R1639 Y1643 V1644 I1645 | L1634-A1641 HydrophobicContact CD2-CB 4.49Å; P1638-A1641 WeakPolarHBondContact O-CB 3.47Å; P1638-A1641 PolarHBondContact O-N 2.68Å; P1638-A1641 VanDerWaalsContact O-N 3.08Å; R1639-A1641 PolarHBondContact O-N 3.48Å; A1641-Y1643 PolarHBondContact O-N 2.88Å; A1641-V1644 PolarHBondContact O-N 3.27Å; A1641-I1645 WeakPolarHBondContact O-CD1 3.27Å; A1641-I1645 VanDerWaalsContact O-CG1 3.31Å; A1641-I1645 WeakPolarHBondContact O-CG1 3.47Å; A1641-I1645 PolarHBondContact O-N 2.88Å |
| 1642 | G | 85.3 | Confident | 86.2 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1640 N1646 | L1640-G1642 VanDerWaalsContact C-N 3.31Å; L1640-G1642 PolarHBondContact O-N 2.9Å; L1640-G1642 VanDerWaalsContact O-N 3.17Å; G1642-N1646 PolarHBondContact O-N 2.96Å; G1642-N1646 PolarHBondContact O-ND2 3Å |
| 1643 | Y | 88.8 | Confident | 86 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 28% | 0.275 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 173.3 | 176.9 | -88.7 | 0 | 0 | 0 | 111.1 | S1610 I1613 L1640 A1641 I1645 N1646 V1647 | S1610-Y1643 PolarHBondContact O-OH 3.37Å; I1613-Y1643 HydrophobicContact CB-CE1 4.44Å; I1613-Y1643 HydrophobicContact CG2-CE1 4.04Å; L1640-Y1643 HydrophobicContact CD2-CD1 4.13Å; L1640-Y1643 WeakPolarHBondContact O-CA 3.49Å; L1640-Y1643 WeakPolarHBondContact O-CB 3.49Å; L1640-Y1643 PolarHBondContact O-N 3.01Å; A1641-Y1643 PolarHBondContact O-N 2.88Å; Y1643-I1645 VanDerWaalsContact C-N 3.29Å; Y1643-I1645 PolarHBondContact O-N 3.45Å; Y1643-N1646 WeakPolarHBondContact O-CB 3.34Å; Y1643-N1646 PolarHBondContact O-N 3.27Å; Y1643-N1646 VanDerWaalsContact O-N 3.09Å; Y1643-V1647 HydrophobicContact CD1-CG2 3.9Å; Y1643-V1647 HydrophobicContact CE1-CG2 3.44Å; Y1643-V1647 VanDerWaalsContact CE1-CG2 3.44Å; Y1643-V1647 PolarHBondContact O-N 3.36Å |
| 1644 | V | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -27.9 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 112 | V1630 L1634 L1640 A1641 V1647 L1648 | V1630-V1644 HydrophobicContact CG1-CG1 3.6Å; V1630-V1644 HydrophobicContact CG1-CG2 4.18Å; L1634-V1644 HydrophobicContact CD1-CG1 4.01Å; L1634-V1644 HydrophobicContact CD2-CB 4.08Å; L1634-V1644 HydrophobicContact CD2-CG1 4.44Å; L1634-V1644 HydrophobicContact CD2-CG2 3.84Å; L1634-V1644 HydrophobicContact CG-CB 4.47Å; L1634-V1644 HydrophobicContact CG-CG1 4.37Å; L1634-V1644 HydrophobicContact CG-CG2 4.11Å; L1640-V1644 HydrophobicContact CB-CG2 4.2Å; L1640-V1644 HydrophobicContact CD2-CG2 4.36Å; L1640-V1644 PolarHBondContact O-N 3.41Å; A1641-V1644 PolarHBondContact O-N 3.27Å; V1644-V1647 CarbonylContact O-C 2.99Å; V1644-V1647 WeakPolarHBondContact O-CB 3.38Å; V1644-V1647 PolarHBondContact O-N 3.09Å; V1644-L1648 HydrophobicContact CG1-CD1 4.35Å; V1644-L1648 HydrophobicContact CG1-CG 4.34Å; V1644-L1648 VanDerWaalsContact O-CG 3.28Å; V1644-L1648 WeakPolarHBondContact O-CG 3.41Å; V1644-L1648 PolarHBondContact O-N 3.43Å |
| 1645 | I | 86.9 | Confident | 85.6 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 169.6 | -74.2 | 156.2 | 0 | 0 | 0 | 111.2 | A1641 Y1643 V1647 L1648 V1649 Q1676 V1680 | A1641-I1645 WeakPolarHBondContact O-CD1 3.27Å; A1641-I1645 VanDerWaalsContact O-CG1 3.31Å; A1641-I1645 WeakPolarHBondContact O-CG1 3.47Å; A1641-I1645 PolarHBondContact O-N 2.88Å; Y1643-I1645 VanDerWaalsContact C-N 3.29Å; Y1643-I1645 PolarHBondContact O-N 3.45Å; I1645-V1647 VanDerWaalsContact C-N 3.3Å; I1645-V1647 PolarHBondContact O-N 3.5Å; I1645-L1648 PolarHBondContact O-N 3.07Å; I1645-V1649 WeakPolarHBondContact O-CG2 3.5Å; I1645-V1649 PolarHBondContact O-N 3.36Å; I1645-Q1676 HydrophobicContact CD1-CB 3.45Å; I1645-Q1676 VanDerWaalsContact CD1-CB 3.45Å; I1645-Q1676 HydrophobicContact CD1-CG 4.33Å; I1645-V1680 HydrophobicContact CG2-CG2 3.86Å |
| 1646 | N | 86.6 | Confident | 85.4 | Confident | 98 Ų | 98 | 59 Ų | 59 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 173.6 | -67.5 | -35.2 | 0 | 0 | 0 | 112 | G1642 Y1643 R1650 | G1642-N1646 PolarHBondContact O-N 2.96Å; G1642-N1646 PolarHBondContact O-ND2 3Å; Y1643-N1646 WeakPolarHBondContact O-CB 3.34Å; Y1643-N1646 PolarHBondContact O-N 3.27Å; Y1643-N1646 VanDerWaalsContact O-N 3.09Å; N1646-R1650 VanDerWaalsContact O-CG 3.31Å; N1646-R1650 WeakPolarHBondContact O-CG 3.11Å; N1646-R1650 PolarHBondContact O-N 3.22Å; N1646-R1650 VanDerWaalsContact O-N 3.1Å |
| 1647 | V | 88.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 170.2 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | I1613 L1617 F1626 Y1643 V1644 I1645 V1649 R1650 L1651 | I1613-V1647 HydrophobicContact CG2-CG1 4.48Å; I1613-V1647 HydrophobicContact CG2-CG2 4.13Å; L1617-V1647 HydrophobicContact CD1-CG1 4.38Å; L1617-V1647 HydrophobicContact CD2-CB 4.47Å; L1617-V1647 HydrophobicContact CD2-CG1 4.1Å; L1617-V1647 HydrophobicContact CD2-CG2 4.21Å; F1626-V1647 HydrophobicContact CE1-CG1 4.49Å; F1626-V1647 HydrophobicContact CZ-CG1 4.17Å; Y1643-V1647 HydrophobicContact CD1-CG2 3.9Å; Y1643-V1647 HydrophobicContact CE1-CG2 3.44Å; Y1643-V1647 VanDerWaalsContact CE1-CG2 3.44Å; Y1643-V1647 PolarHBondContact O-N 3.36Å; V1644-V1647 CarbonylContact O-C 2.99Å; V1644-V1647 WeakPolarHBondContact O-CB 3.38Å; V1644-V1647 PolarHBondContact O-N 3.09Å; I1645-V1647 VanDerWaalsContact C-N 3.3Å; I1645-V1647 PolarHBondContact O-N 3.5Å; V1647-V1649 VanDerWaalsContact C-N 3.34Å; V1647-V1649 PolarHBondContact O-N 3.21Å; V1647-R1650 CarbonylContact O-C 3.29Å; V1647-R1650 WeakPolarHBondContact O-CA 3.46Å; V1647-R1650 WeakPolarHBondContact O-CB 3.29Å; V1647-R1650 PolarHBondContact O-N 3.11Å; V1647-R1650 VanDerWaalsContact O-N 3.09Å; V1647-L1651 HydrophobicContact CG1-CD1 4.03Å; V1647-L1651 HydrophobicContact CG1-CG 4.26Å; V1647-L1651 WeakPolarHBondContact O-CG 3.41Å; V1647-L1651 PolarHBondContact O-N 3.3Å |
| 1648 | L | 87 | Confident | 85.1 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 178.1 | -69 | 165.2 | 0 | 0 | 0 | 111.7 | M1627 V1644 I1645 L1651 I1652 F1666 C1669 V1680 | M1627-L1648 HydrophobicContact CE-CD2 4.48Å; V1644-L1648 HydrophobicContact CG1-CD1 4.35Å; V1644-L1648 HydrophobicContact CG1-CG 4.34Å; V1644-L1648 VanDerWaalsContact O-CG 3.28Å; V1644-L1648 WeakPolarHBondContact O-CG 3.41Å; V1644-L1648 PolarHBondContact O-N 3.43Å; I1645-L1648 PolarHBondContact O-N 3.07Å; L1648-L1651 HydrophobicContact CD2-CD1 4.28Å; L1648-L1651 PolarHBondContact O-N 3.33Å; L1648-I1652 PolarHBondContact O-N 2.96Å; L1648-I1652 VanDerWaalsContact O-N 3.1Å; L1648-F1666 HydrophobicContact CB-CE2 4.06Å; L1648-F1666 HydrophobicContact CD2-CD2 3.47Å; L1648-F1666 VanDerWaalsContact CD2-CD2 3.47Å; L1648-F1666 HydrophobicContact CD2-CE2 3.48Å; L1648-F1666 VanDerWaalsContact CD2-CE2 3.48Å; L1648-F1666 HydrophobicContact CD2-CG 4.4Å; L1648-F1666 HydrophobicContact CD2-CZ 4.39Å; L1648-F1666 HydrophobicContact CG-CE2 4.38Å; L1648-C1669 HydrophobicContact CD2-CB 4.14Å; L1648-V1680 HydrophobicContact CB-CG1 4Å |
| 1649 | V | 87 | Confident | 84.7 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 17% | 0.17 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 172.3 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | I1645 V1647 I1652 R1653 V1680 | I1645-V1649 WeakPolarHBondContact O-CG2 3.5Å; I1645-V1649 PolarHBondContact O-N 3.36Å; V1647-V1649 VanDerWaalsContact C-N 3.34Å; V1647-V1649 PolarHBondContact O-N 3.21Å; V1649-I1652 PolarHBondContact O-N 3.5Å; V1649-R1653 PolarHBondContact O-N 3.17Å; V1649-V1680 HydrophobicContact CG2-CG1 4.16Å; V1649-V1680 HydrophobicContact CG2-CG2 3.98Å |
| 1650 | R | 86.2 | Confident | 84.6 | Confident | 131 Ų | 131 | 59.9 Ų | 59.9 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -34.2 | 174 | -69.4 | 171.6 | -176.4 | -164.2 | 0.9 | 112.4 | L1617 N1646 V1647 R1653 K1654 | L1617-R1650 HydrophobicContact CD2-CB 3.98Å; L1617-R1650 HydrophobicContact CD2-CG 4.49Å; N1646-R1650 VanDerWaalsContact O-CG 3.31Å; N1646-R1650 WeakPolarHBondContact O-CG 3.11Å; N1646-R1650 PolarHBondContact O-N 3.22Å; N1646-R1650 VanDerWaalsContact O-N 3.1Å; V1647-R1650 CarbonylContact O-C 3.29Å; V1647-R1650 WeakPolarHBondContact O-CA 3.46Å; V1647-R1650 WeakPolarHBondContact O-CB 3.29Å; V1647-R1650 PolarHBondContact O-N 3.11Å; V1647-R1650 VanDerWaalsContact O-N 3.09Å; R1650-R1653 WeakPolarHBondContact O-CB 3.27Å; R1650-R1653 PolarHBondContact O-N 2.93Å; R1650-K1654 PolarHBondContact O-N 2.92Å; R1650-K1654 VanDerWaalsContact O-N 3.08Å |
| 1651 | L | 85.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.6 | -30.8 | 175.8 | -72.1 | 170 | 0 | 0 | 0 | 113.4 | L1617 L1622 F1626 M1627 V1647 L1648 R1653 K1654 Q1655 V1656 F1666 | L1617-L1651 HydrophobicContact CD1-CD2 3.7Å; L1617-L1651 HydrophobicContact CD1-CG 4.11Å; L1622-L1651 HydrophobicContact CD1-CD2 3.6Å; F1626-L1651 HydrophobicContact CE1-CD1 4.1Å; F1626-L1651 HydrophobicContact CE1-CD2 3.96Å; M1627-L1651 HydrophobicContact SD-CD1 3.69Å; V1647-L1651 HydrophobicContact CG1-CD1 4.03Å; V1647-L1651 HydrophobicContact CG1-CG 4.26Å; V1647-L1651 WeakPolarHBondContact O-CG 3.41Å; V1647-L1651 PolarHBondContact O-N 3.3Å; L1648-L1651 HydrophobicContact CD2-CD1 4.28Å; L1648-L1651 PolarHBondContact O-N 3.33Å; L1651-R1653 VanDerWaalsContact C-N 3.32Å; L1651-K1654 CarbonylContact O-C 3.53Å; L1651-K1654 PolarHBondContact O-N 3.1Å; L1651-Q1655 PolarHBondContact O-N 3.39Å; L1651-Q1655 VanDerWaalsContact O-N 3.15Å; L1651-V1656 HydrophobicContact CB-CB 4.2Å; L1651-V1656 HydrophobicContact CB-CG1 4.22Å; L1651-V1656 HydrophobicContact CD2-CG2 4.49Å; L1651-V1656 PolarHBondContact O-N 2.79Å; L1651-F1666 HydrophobicContact CB-CD2 4.34Å; L1651-F1666 HydrophobicContact CB-CE2 4.22Å; L1651-F1666 HydrophobicContact CD1-CD2 4.27Å |
| 1652 | I | 84 | Confident | 84.2 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 169.4 | -67.8 | 175.7 | 0 | 0 | 0 | 110 | L1648 V1649 K1654 Q1655 W1657 F1666 V1680 Q1683 L1684 | L1648-I1652 PolarHBondContact O-N 2.96Å; L1648-I1652 VanDerWaalsContact O-N 3.1Å; V1649-I1652 PolarHBondContact O-N 3.5Å; I1652-K1654 PolarHBondContact O-N 2.94Å; I1652-Q1655 PolarHBondContact O-N 3.34Å; I1652-W1657 HydrophobicContact CG2-CH2 4.26Å; I1652-W1657 HydrophobicContact CG2-CZ3 4.16Å; I1652-F1666 HydrophobicContact CD1-CZ 4.21Å; I1652-F1666 HydrophobicContact CG1-CE2 4.31Å; I1652-F1666 HydrophobicContact CG1-CZ 3.87Å; I1652-V1680 HydrophobicContact CD1-CG1 3.67Å; I1652-V1680 WeakPolarHBondContact CD1-O 3.45Å; I1652-Q1683 HydrophobicContact CD1-CB 4.21Å; I1652-L1684 HydrophobicContact CD1-CD2 3.76Å; I1652-L1684 HydrophobicContact CD1-CG 4.18Å; I1652-L1684 HydrophobicContact CG1-CD2 3.83Å |
| 1653 | R | 82.4 | Confident | 84.3 | Confident | 209 Ų | 209 | 66 Ų | 66 | 79% | 0.789 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.9 | -37.7 | 175.9 | -60.7 | -177.2 | -178.2 | -178.3 | -0.5 | 112.7 | V1649 R1650 L1651 Q1655 | V1649-R1653 PolarHBondContact O-N 3.17Å; R1650-R1653 WeakPolarHBondContact O-CB 3.27Å; R1650-R1653 PolarHBondContact O-N 2.93Å; L1651-R1653 VanDerWaalsContact C-N 3.32Å; R1653-Q1655 PolarHBondContact O-N 2.99Å |
| 1654 | K | 81.3 | Confident | 84.2 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 8.5 | 171.3 | -81 | -165.2 | 169.8 | -177.6 | 0 | 114.4 | L1617 E1618 Q1619 R1650 L1651 I1652 V1656 | L1617-K1654 PolarHBondContact O-NZ 3.29Å; E1618-K1654 PolarHBondContact O-NZ 2.77Å; Q1619-K1654 PolarHBondContact O-NZ 2.82Å; R1650-K1654 PolarHBondContact O-N 2.92Å; R1650-K1654 VanDerWaalsContact O-N 3.08Å; L1651-K1654 CarbonylContact O-C 3.53Å; L1651-K1654 PolarHBondContact O-N 3.1Å; I1652-K1654 PolarHBondContact O-N 2.94Å; K1654-V1656 PolarHBondContact O-N 2.72Å |
| 1655 | Q | 82.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 48.6 | 175.6 | -58.5 | -174.7 | -22.4 | 0 | 0 | 114 | L1651 I1652 R1653 W1657 K1658 | L1651-Q1655 PolarHBondContact O-N 3.39Å; L1651-Q1655 VanDerWaalsContact O-N 3.15Å; I1652-Q1655 PolarHBondContact O-N 3.34Å; R1653-Q1655 PolarHBondContact O-N 2.99Å; Q1655-W1657 HydrophobicContact CB-CH2 4.4Å; Q1655-W1657 HydrophobicContact CB-CZ2 3.84Å; Q1655-W1657 HydrophobicContact CG-CH2 4.3Å; Q1655-W1657 HydrophobicContact CG-CZ2 3.76Å; Q1655-W1657 PolarHBondContact O-N 2.76Å; Q1655-K1658 HydrophobicContact CB-CD 4.16Å; Q1655-K1658 HydrophobicContact CB-CG 4.45Å; Q1655-K1658 WeakPolarHBondContact O-CB 3.47Å; Q1655-K1658 PolarHBondContact O-N 3.03Å |
| 1656 | V | 82.3 | Confident | 84 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -51.6 | -24.1 | -172.7 | 65.3 | 0 | 0 | 0 | 0 | 115.6 | L1651 K1654 K1658 S1659 L1662 W1663 F1666 | L1651-V1656 HydrophobicContact CB-CB 4.2Å; L1651-V1656 HydrophobicContact CB-CG1 4.22Å; L1651-V1656 HydrophobicContact CD2-CG2 4.49Å; L1651-V1656 PolarHBondContact O-N 2.79Å; K1654-V1656 PolarHBondContact O-N 2.72Å; V1656-K1658 PolarHBondContact O-N 3.16Å; V1656-K1658 VanDerWaalsContact O-N 3.11Å; V1656-S1659 PolarHBondContact O-N 2.71Å; V1656-L1662 HydrophobicContact CG2-CB 3.71Å; V1656-W1663 HydrophobicContact CG1-CE3 4.15Å; V1656-W1663 HydrophobicContact CG1-CZ3 4.31Å; V1656-F1666 HydrophobicContact CG1-CB 4.23Å; V1656-F1666 HydrophobicContact CG1-CD1 4.43Å; V1656-F1666 HydrophobicContact CG1-CD2 3.7Å; V1656-F1666 HydrophobicContact CG1-CE2 4.11Å; V1656-F1666 HydrophobicContact CG1-CG 3.88Å; V1656-F1666 HydrophobicContact CG2-CB 4.44Å |
| 1657 | W | 83.3 | Confident | 84 | Confident | 56 Ų | 56 | 59.7 Ų | 59.7 | 21% | 0.212 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -63.7 | -6.2 | 171.5 | 56.5 | 79.6 | 0 | 0 | 0 | 115.2 | I1652 Q1655 S1659 W1663 L1684 R1688 | I1652-W1657 HydrophobicContact CG2-CH2 4.26Å; I1652-W1657 HydrophobicContact CG2-CZ3 4.16Å; Q1655-W1657 HydrophobicContact CB-CH2 4.4Å; Q1655-W1657 HydrophobicContact CB-CZ2 3.84Å; Q1655-W1657 HydrophobicContact CG-CH2 4.3Å; Q1655-W1657 HydrophobicContact CG-CZ2 3.76Å; Q1655-W1657 PolarHBondContact O-N 2.76Å; W1657-S1659 VanDerWaalsContact C-N 3.28Å; W1657-W1663 HydrophobicContact CB-CD2 3.75Å; W1657-W1663 HydrophobicContact CB-CE3 3.64Å; W1657-W1663 HydrophobicContact CB-CG 4.27Å; W1657-W1663 HydrophobicContact CB-CH2 4.41Å; W1657-W1663 HydrophobicContact CB-CZ2 4.49Å; W1657-W1663 HydrophobicContact CB-CZ3 3.99Å; W1657-W1663 HydrophobicContact CE3-CZ3 4.08Å; W1657-L1684 HydrophobicContact CE3-CD2 4.45Å; W1657-L1684 HydrophobicContact CZ3-CD2 4.03Å; W1657-R1688 HydrophobicContact CD2-CG 4.36Å |
| 1658 | K | 80.6 | Confident | 83.9 | Confident | 165 Ų | 165 | 65 Ų | 65 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -70.6 | -18.7 | 170.6 | -82.9 | 176.7 | 162.3 | 166.2 | 0 | 114 | Q1655 V1656 | Q1655-K1658 HydrophobicContact CB-CD 4.16Å; Q1655-K1658 HydrophobicContact CB-CG 4.45Å; Q1655-K1658 WeakPolarHBondContact O-CB 3.47Å; Q1655-K1658 PolarHBondContact O-N 3.03Å; V1656-K1658 PolarHBondContact O-N 3.16Å; V1656-K1658 VanDerWaalsContact O-N 3.11Å |
| 1659 | S | 78.3 | Confident | 83.9 | Confident | 42 Ų | 42 | 65 Ų | 65 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -122.2 | 111.4 | 177.3 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | V1656 W1657 K1661 L1662 W1663 | V1656-S1659 PolarHBondContact O-N 2.71Å; W1657-S1659 VanDerWaalsContact C-N 3.28Å; S1659-K1661 VanDerWaalsContact C-N 3.28Å; S1659-K1661 PolarHBondContact O-N 3.46Å; S1659-L1662 CarbonylContact O-C 3.55Å; S1659-L1662 PolarHBondContact O-N 3.42Å; S1659-W1663 WeakPolarHBondContact O-CB 3.42Å; S1659-W1663 PolarHBondContact O-N 2.94Å |
| 1660 | E | 80.5 | Confident | 83.9 | Confident | 167 Ų | 167 | 63.7 Ų | 63.7 | 78% | 0.78 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -53.5 | -43.2 | -175.5 | -173.7 | -177.4 | -168.9 | 0 | 0 | 112.8 | L1662 W1663 D1664 | E1660-L1662 VanDerWaalsContact C-N 3.33Å; E1660-L1662 PolarHBondContact O-N 3.42Å; E1660-W1663 WeakPolarHBondContact O-CB 3.37Å; E1660-W1663 PolarHBondContact O-N 2.9Å; E1660-W1663 VanDerWaalsContact O-N 3.17Å; E1660-D1664 PolarHBondContact O-N 2.93Å |
| 1661 | K | 78.8 | Confident | 83.8 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.8 | -34.9 | 178.6 | -63.8 | 178.6 | -177.9 | 174 | 0 | 112.7 | S1659 G1665 | S1659-K1661 VanDerWaalsContact C-N 3.28Å; S1659-K1661 PolarHBondContact O-N 3.46Å; K1661-G1665 PolarHBondContact O-N 2.98Å |
| 1662 | L | 84 | Confident | 83.7 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.1 | -28.8 | 174.7 | -60.2 | 178.6 | 0 | 0 | 0 | 111.6 | L1622 F1626 M1627 V1656 S1659 E1660 G1665 F1666 | L1622-L1662 HydrophobicContact CB-CD1 3.82Å; L1622-L1662 HydrophobicContact CD1-CD1 4.22Å; F1626-L1662 HydrophobicContact CB-CD2 4.4Å; M1627-L1662 HydrophobicContact CB-CD2 4.43Å; M1627-L1662 HydrophobicContact CG-CB 4.33Å; M1627-L1662 HydrophobicContact CG-CD2 3.98Å; V1656-L1662 HydrophobicContact CG2-CB 3.71Å; S1659-L1662 CarbonylContact O-C 3.55Å; S1659-L1662 PolarHBondContact O-N 3.42Å; E1660-L1662 VanDerWaalsContact C-N 3.33Å; E1660-L1662 PolarHBondContact O-N 3.42Å; L1662-G1665 PolarHBondContact O-N 3.48Å; L1662-F1666 WeakPolarHBondContact O-CB 3.35Å; L1662-F1666 PolarHBondContact O-N 3.32Å |
| 1663 | W | 87.5 | Confident | 83.7 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.8 | -46.7 | 176.4 | -173.4 | -125.8 | 0 | 0 | 0 | 112.3 | V1656 W1657 S1659 E1660 G1665 F1666 I1667 L1684 R1688 V1692 | V1656-W1663 HydrophobicContact CG1-CE3 4.15Å; V1656-W1663 HydrophobicContact CG1-CZ3 4.31Å; W1657-W1663 HydrophobicContact CB-CD2 3.75Å; W1657-W1663 HydrophobicContact CB-CE3 3.64Å; W1657-W1663 HydrophobicContact CB-CG 4.27Å; W1657-W1663 HydrophobicContact CB-CH2 4.41Å; W1657-W1663 HydrophobicContact CB-CZ2 4.49Å; W1657-W1663 HydrophobicContact CB-CZ3 3.99Å; W1657-W1663 HydrophobicContact CE3-CZ3 4.08Å; S1659-W1663 WeakPolarHBondContact O-CB 3.42Å; S1659-W1663 PolarHBondContact O-N 2.94Å; E1660-W1663 WeakPolarHBondContact O-CB 3.37Å; E1660-W1663 PolarHBondContact O-N 2.9Å; E1660-W1663 VanDerWaalsContact O-N 3.17Å; W1663-G1665 VanDerWaalsContact C-N 3.31Å; W1663-G1665 PolarHBondContact O-N 3.47Å; W1663-F1666 HydrophobicContact CE3-CB 4.24Å; W1663-F1666 AromaticContact CE3-CD1 3.87Å; W1663-F1666 HydrophobicContact CE3-CD1 3.87Å; W1663-F1666 HydrophobicContact CE3-CG 4.3Å; W1663-F1666 HydrophobicContact CH2-CD1 4.26Å; W1663-F1666 HydrophobicContact CH2-CE1 4.42Å; W1663-F1666 AromaticContact CZ3-CD1 3.45Å; W1663-F1666 HydrophobicContact CZ3-CD1 3.45Å; W1663-F1666 VanDerWaalsContact CZ3-CD1 3.45Å; W1663-F1666 AromaticContact CZ3-CE1 3.82Å; W1663-F1666 HydrophobicContact CZ3-CE1 3.82Å; W1663-F1666 HydrophobicContact CZ3-CG 4.24Å; W1663-F1666 WeakPolarHBondContact O-CB 3.49Å; W1663-F1666 PolarHBondContact O-N 3.19Å; W1663-F1666 VanDerWaalsContact O-N 3.08Å; W1663-I1667 HydrophobicContact CD2-CD1 4.4Å; W1663-I1667 HydrophobicContact CD2-CG1 4.45Å; W1663-I1667 HydrophobicContact CZ2-CD1 4.28Å; W1663-I1667 HydrophobicContact CZ2-CG1 4.43Å; W1663-I1667 WeakPolarHBondContact O-CG1 3.32Å; W1663-I1667 PolarHBondContact O-N 3Å; W1663-L1684 HydrophobicContact CH2-CD1 4.46Å; W1663-L1684 HydrophobicContact CH2-CD2 4.49Å; W1663-R1688 HydrophobicContact CH2-CB 4.37Å; W1663-V1692 HydrophobicContact CH2-CG2 3.98Å; W1663-V1692 HydrophobicContact CZ2-CG2 3.94Å |
| 1664 | D | 85.9 | Confident | 83.6 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.8 | -47.3 | 170.9 | 179.8 | 30.2 | 0 | 0 | 0 | 110.9 | E1660 F1666 I1667 R1668 W1695 | E1660-D1664 PolarHBondContact O-N 2.93Å; D1664-F1666 VanDerWaalsContact C-N 3.33Å; D1664-F1666 PolarHBondContact O-N 3.43Å; D1664-I1667 PolarHBondContact O-N 3.36Å; D1664-R1668 VanDerWaalsContact CG-NE 3.27Å; D1664-R1668 VanDerWaalsContact CG-NH2 3.3Å; D1664-R1668 WeakPolarHBondContact O-CG 3.41Å; D1664-R1668 PolarHBondContact O-N 2.94Å; D1664-R1668 IonicContact OD1-CZ 2.66Å; D1664-R1668 VanDerWaalsContact OD1-CZ 3.25Å; D1664-R1668 IonicContact OD1-NE 2.83Å; D1664-R1668 PolarHBondContact OD1-NE 2.9Å; D1664-R1668 IonicContact OD1-NH2 2.73Å; D1664-R1668 PolarHBondContact OD1-NH2 2.99Å; D1664-R1668 IonicContact OD2-CZ 3.18Å; D1664-R1668 IonicContact OD2-NE 3.67Å; D1664-R1668 PolarHBondContact OD2-NE 3.38Å; D1664-R1668 VanDerWaalsContact OD2-NE 3.16Å; D1664-R1668 IonicContact OD2-NH2 3.35Å; D1664-R1668 PolarHBondContact OD2-NH2 3.14Å; D1664-W1695 WeakPolarHBondContact OD1-CH2 3.19Å; D1664-W1695 WeakPolarHBondContact OD1-CZ2 3.43Å |
| 1665 | G | 84.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 57 Ų | 57 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1661 L1662 W1663 C1669 | K1661-G1665 PolarHBondContact O-N 2.98Å; L1662-G1665 PolarHBondContact O-N 3.48Å; W1663-G1665 VanDerWaalsContact C-N 3.31Å; W1663-G1665 PolarHBondContact O-N 3.47Å; G1665-C1669 VanDerWaalsContact O-CB 3.25Å; G1665-C1669 WeakPolarHBondContact O-CB 3.38Å; G1665-C1669 PolarHBondContact O-N 2.91Å |
| 1666 | F | 88.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.7 | -178.2 | -92 | 0 | 0 | 0 | 111.8 | L1648 L1651 I1652 V1656 L1662 W1663 D1664 C1669 C1670 L1684 | L1648-F1666 HydrophobicContact CB-CE2 4.06Å; L1648-F1666 HydrophobicContact CD2-CD2 3.47Å; L1648-F1666 VanDerWaalsContact CD2-CD2 3.47Å; L1648-F1666 HydrophobicContact CD2-CE2 3.48Å; L1648-F1666 VanDerWaalsContact CD2-CE2 3.48Å; L1648-F1666 HydrophobicContact CD2-CG 4.4Å; L1648-F1666 HydrophobicContact CD2-CZ 4.39Å; L1648-F1666 HydrophobicContact CG-CE2 4.38Å; L1651-F1666 HydrophobicContact CB-CD2 4.34Å; L1651-F1666 HydrophobicContact CB-CE2 4.22Å; L1651-F1666 HydrophobicContact CD1-CD2 4.27Å; I1652-F1666 HydrophobicContact CD1-CZ 4.21Å; I1652-F1666 HydrophobicContact CG1-CE2 4.31Å; I1652-F1666 HydrophobicContact CG1-CZ 3.87Å; V1656-F1666 HydrophobicContact CG1-CB 4.23Å; V1656-F1666 HydrophobicContact CG1-CD1 4.43Å; V1656-F1666 HydrophobicContact CG1-CD2 3.7Å; V1656-F1666 HydrophobicContact CG1-CE2 4.11Å; V1656-F1666 HydrophobicContact CG1-CG 3.88Å; V1656-F1666 HydrophobicContact CG2-CB 4.44Å; L1662-F1666 WeakPolarHBondContact O-CB 3.35Å; L1662-F1666 PolarHBondContact O-N 3.32Å; W1663-F1666 HydrophobicContact CE3-CB 4.24Å; W1663-F1666 AromaticContact CE3-CD1 3.87Å; W1663-F1666 HydrophobicContact CE3-CD1 3.87Å; W1663-F1666 HydrophobicContact CE3-CG 4.3Å; W1663-F1666 HydrophobicContact CH2-CD1 4.26Å; W1663-F1666 HydrophobicContact CH2-CE1 4.42Å; W1663-F1666 AromaticContact CZ3-CD1 3.45Å; W1663-F1666 HydrophobicContact CZ3-CD1 3.45Å; W1663-F1666 VanDerWaalsContact CZ3-CD1 3.45Å; W1663-F1666 AromaticContact CZ3-CE1 3.82Å; W1663-F1666 HydrophobicContact CZ3-CE1 3.82Å; W1663-F1666 HydrophobicContact CZ3-CG 4.24Å; W1663-F1666 WeakPolarHBondContact O-CB 3.49Å; W1663-F1666 PolarHBondContact O-N 3.19Å; W1663-F1666 VanDerWaalsContact O-N 3.08Å; D1664-F1666 VanDerWaalsContact C-N 3.33Å; D1664-F1666 PolarHBondContact O-N 3.43Å; F1666-C1669 PolarHBondContact O-N 3.2Å; F1666-C1670 PolarHBondContact O-N 2.9Å; F1666-C1670 PolarHBondContact O-SG 3.34Å; F1666-L1684 HydrophobicContact CE1-CD1 4.5Å; F1666-L1684 HydrophobicContact CE1-CD2 4.42Å |
| 1667 | I | 87.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 177.1 | -61.1 | 172.9 | 0 | 0 | 0 | 110.2 | W1663 D1664 C1669 C1670 A1671 V1692 W1695 | W1663-I1667 HydrophobicContact CD2-CD1 4.4Å; W1663-I1667 HydrophobicContact CD2-CG1 4.45Å; W1663-I1667 HydrophobicContact CZ2-CD1 4.28Å; W1663-I1667 HydrophobicContact CZ2-CG1 4.43Å; W1663-I1667 WeakPolarHBondContact O-CG1 3.32Å; W1663-I1667 PolarHBondContact O-N 3Å; D1664-I1667 PolarHBondContact O-N 3.36Å; I1667-C1669 VanDerWaalsContact C-N 3.28Å; I1667-C1669 PolarHBondContact O-N 3.16Å; I1667-C1670 PolarHBondContact O-N 2.93Å; I1667-A1671 WeakPolarHBondContact O-CB 3.4Å; I1667-A1671 PolarHBondContact O-N 3.33Å; I1667-V1692 HydrophobicContact CG1-CG2 4.28Å; I1667-W1695 HydrophobicContact CB-CE3 4.37Å; I1667-W1695 HydrophobicContact CD1-CB 4.06Å; I1667-W1695 HydrophobicContact CD1-CD2 4.32Å; I1667-W1695 HydrophobicContact CD1-CG 3.99Å; I1667-W1695 HydrophobicContact CG2-CB 4.43Å; I1667-W1695 HydrophobicContact CG2-CD2 3.99Å; I1667-W1695 HydrophobicContact CG2-CE3 3.45Å; I1667-W1695 VanDerWaalsContact CG2-CE3 3.45Å; I1667-W1695 HydrophobicContact CG2-CG 4.42Å; I1667-W1695 HydrophobicContact CG2-CZ3 3.99Å |
| 1668 | R | 86.2 | Confident | 83.4 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 176.6 | -65.8 | -179 | -156.8 | -117.3 | 9.3 | 113 | M1631 D1664 K1672 W1695 | M1631-R1668 HydrophobicContact CE-CB 3.7Å; M1631-R1668 HydrophobicContact SD-CB 3.99Å; D1664-R1668 VanDerWaalsContact CG-NE 3.27Å; D1664-R1668 VanDerWaalsContact CG-NH2 3.3Å; D1664-R1668 WeakPolarHBondContact O-CG 3.41Å; D1664-R1668 PolarHBondContact O-N 2.94Å; D1664-R1668 IonicContact OD1-CZ 2.66Å; D1664-R1668 VanDerWaalsContact OD1-CZ 3.25Å; D1664-R1668 IonicContact OD1-NE 2.83Å; D1664-R1668 PolarHBondContact OD1-NE 2.9Å; D1664-R1668 IonicContact OD1-NH2 2.73Å; D1664-R1668 PolarHBondContact OD1-NH2 2.99Å; D1664-R1668 IonicContact OD2-CZ 3.18Å; D1664-R1668 IonicContact OD2-NE 3.67Å; D1664-R1668 PolarHBondContact OD2-NE 3.38Å; D1664-R1668 VanDerWaalsContact OD2-NE 3.16Å; D1664-R1668 IonicContact OD2-NH2 3.35Å; D1664-R1668 PolarHBondContact OD2-NH2 3.14Å; R1668-K1672 PolarHBondContact O-N 3.47Å; R1668-K1672 VanDerWaalsContact O-N 3.17Å; R1668-W1695 HydrophobicContact CG-CH2 3.78Å; R1668-W1695 HydrophobicContact CG-CZ3 4.12Å |
| 1669 | C | 86.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -47.8 | 174.7 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | M1627 M1631 L1648 G1665 F1666 I1667 A1671 K1672 T1673 | M1627-C1669 HydrophobicContact CE-CB 3.61Å; M1631-C1669 HydrophobicContact CG-CB 4.43Å; L1648-C1669 HydrophobicContact CD2-CB 4.14Å; G1665-C1669 VanDerWaalsContact O-CB 3.25Å; G1665-C1669 WeakPolarHBondContact O-CB 3.38Å; G1665-C1669 PolarHBondContact O-N 2.91Å; F1666-C1669 PolarHBondContact O-N 3.2Å; I1667-C1669 VanDerWaalsContact C-N 3.28Å; I1667-C1669 PolarHBondContact O-N 3.16Å; C1669-A1671 PolarHBondContact O-N 2.74Å; C1669-K1672 PolarHBondContact O-N 3.29Å; C1669-T1673 PolarHBondContact O-N 3.05Å; C1669-T1673 VanDerWaalsContact O-N 3.08Å; C1669-T1673 PolarHBondContact O-OG1 3.21Å; C1669-T1673 VanDerWaalsContact O-OG1 3.05Å |
| 1670 | C | 86.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -31.7 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 112.7 | F1666 I1667 S1677 L1681 | F1666-C1670 PolarHBondContact O-N 2.9Å; F1666-C1670 PolarHBondContact O-SG 3.34Å; I1667-C1670 PolarHBondContact O-N 2.93Å; C1670-S1677 WeakPolarHBondContact O-CB 3.28Å; C1670-S1677 PolarHBondContact O-OG 2.86Å; C1670-L1681 HydrophobicContact CB-CD2 4.27Å |
| 1671 | A | 84.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | I1667 C1669 R1674 | I1667-A1671 WeakPolarHBondContact O-CB 3.4Å; I1667-A1671 PolarHBondContact O-N 3.33Å; C1669-A1671 PolarHBondContact O-N 2.74Å; A1671-R1674 WeakPolarHBondContact O-CG 3.31Å |
| 1672 | K | 83.6 | Confident | 83.7 | Confident | 128 Ų | 128 | 38.7 Ų | 38.7 | 56% | 0.557 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -75.8 | -21.8 | 176.9 | -77.9 | -171.2 | 172.9 | -166.3 | 0 | 114.6 | M1631 R1668 C1669 | M1631-K1672 HydrophobicContact CE-CD 4.26Å; R1668-K1672 PolarHBondContact O-N 3.47Å; R1668-K1672 VanDerWaalsContact O-N 3.17Å; C1669-K1672 PolarHBondContact O-N 3.29Å |
| 1673 | T | 83.4 | Confident | 83.6 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 20.5 | -176.6 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | L1634 C1669 Q1676 S1677 | L1634-T1673 HydrophobicContact CD1-CG2 4.05Å; C1669-T1673 PolarHBondContact O-N 3.05Å; C1669-T1673 VanDerWaalsContact O-N 3.08Å; C1669-T1673 PolarHBondContact O-OG1 3.21Å; C1669-T1673 VanDerWaalsContact O-OG1 3.05Å; T1673-Q1676 PolarHBondContact O-N 2.92Å; T1673-Q1676 VanDerWaalsContact O-N 3.08Å; T1673-S1677 PolarHBondContact O-N 3.37Å; T1673-S1677 PolarHBondContact O-OG 2.8Å; T1673-S1677 WeakPolarHBondContact OG1-CB 3.47Å |
| 1674 | R | 81.4 | Confident | 83.3 | Confident | 66 Ų | 66 | 41.6 Ų | 41.6 | 25% | 0.249 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 144.6 | 170.1 | -62.5 | 178.4 | -169.1 | 148.1 | 14.9 | 110.8 | A1671 S1677 Y1678 E1696 M1699 | A1671-R1674 WeakPolarHBondContact O-CG 3.31Å; R1674-S1677 PolarHBondContact N-OG 3.26Å; R1674-Y1678 HydrophobicContact CB-CE1 4.23Å; R1674-Y1678 HydrophobicContact CG-CE1 3.78Å; R1674-E1696 IonicContact CZ-OE1 2.76Å; R1674-E1696 VanDerWaalsContact CZ-OE1 3.25Å; R1674-E1696 IonicContact CZ-OE2 2.68Å; R1674-E1696 IonicContact NH1-OE1 3.16Å; R1674-E1696 PolarHBondContact NH1-OE1 3.2Å; R1674-E1696 IonicContact NH1-OE2 2.72Å; R1674-E1696 IonicContact NH2-OE1 3.03Å; R1674-E1696 PolarHBondContact NH2-OE1 3.2Å; R1674-E1696 IonicContact NH2-OE2 2.79Å; R1674-E1696 PolarHBondContact NH2-OE2 3.2Å; R1674-M1699 VanDerWaalsContact NE-CG 3.27Å; R1674-M1699 PolarHBondContact NE-SD 3Å; R1674-M1699 VanDerWaalsContact NH2-CG 3.26Å; R1674-M1699 PolarHBondContact NH2-SD 3.09Å |
| 1675 | P | 78.9 | Confident | 83 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 52% | 0.519 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -85.2 | -7.1 | -1.5 | 35.5 | -36.7 | 0 | 0 | 0 | 114 | S1677 Y1678 | P1675-S1677 PolarHBondContact O-N 2.65Å; P1675-Y1678 HydrophobicContact CB-CD2 3.89Å; P1675-Y1678 HydrophobicContact CB-CE2 3.5Å; P1675-Y1678 WeakPolarHBondContact O-CB 3.24Å; P1675-Y1678 WeakPolarHBondContact O-CD2 3.36Å; P1675-Y1678 PolarHBondContact O-N 3.2Å; P1675-Y1678 VanDerWaalsContact O-N 3.08Å |
| 1676 | Q | 78.4 | Confident | 82.5 | Confident | 113 Ų | 113 | 43.5 Ų | 43.5 | 53% | 0.528 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29.4 | -171.5 | -59.9 | 177.5 | -3.1 | 0 | 0 | 112.3 | I1645 T1673 Y1678 | I1645-Q1676 HydrophobicContact CD1-CB 3.45Å; I1645-Q1676 VanDerWaalsContact CD1-CB 3.45Å; I1645-Q1676 HydrophobicContact CD1-CG 4.33Å; T1673-Q1676 PolarHBondContact O-N 2.92Å; T1673-Q1676 VanDerWaalsContact O-N 3.08Å; Q1676-Y1678 PolarHBondContact O-N 3.12Å |
| 1677 | S | 83.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.9 | 173.1 | 55.9 | 0 | 0 | 0 | 0 | 115.2 | C1670 T1673 R1674 P1675 Q1679 V1680 L1681 | C1670-S1677 WeakPolarHBondContact O-CB 3.28Å; C1670-S1677 PolarHBondContact O-OG 2.86Å; T1673-S1677 PolarHBondContact O-N 3.37Å; T1673-S1677 PolarHBondContact O-OG 2.8Å; T1673-S1677 WeakPolarHBondContact OG1-CB 3.47Å; R1674-S1677 PolarHBondContact N-OG 3.26Å; P1675-S1677 PolarHBondContact O-N 2.65Å; S1677-Q1679 VanDerWaalsContact C-N 3.28Å; S1677-Q1679 PolarHBondContact O-N 2.9Å; S1677-V1680 WeakPolarHBondContact O-CA 3.06Å; S1677-V1680 WeakPolarHBondContact O-CB 3.44Å; S1677-V1680 PolarHBondContact O-N 3.14Å; S1677-L1681 PolarHBondContact O-N 3.33Å |
| 1678 | Y | 84.5 | Confident | 81.6 | Confident | 19 Ų | 19 | 53 Ų | 53 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -33.7 | -179.2 | -56.9 | -24.6 | 0 | 0 | 0 | 112.6 | R1674 P1675 Q1676 V1680 L1681 L1682 Q1702 V1703 Y1706 | R1674-Y1678 HydrophobicContact CB-CE1 4.23Å; R1674-Y1678 HydrophobicContact CG-CE1 3.78Å; P1675-Y1678 HydrophobicContact CB-CD2 3.89Å; P1675-Y1678 HydrophobicContact CB-CE2 3.5Å; P1675-Y1678 WeakPolarHBondContact O-CB 3.24Å; P1675-Y1678 WeakPolarHBondContact O-CD2 3.36Å; P1675-Y1678 PolarHBondContact O-N 3.2Å; P1675-Y1678 VanDerWaalsContact O-N 3.08Å; Q1676-Y1678 PolarHBondContact O-N 3.12Å; Y1678-V1680 VanDerWaalsContact C-N 3.26Å; Y1678-V1680 PolarHBondContact O-N 2.83Å; Y1678-L1681 HydrophobicContact CD1-CD1 4.43Å; Y1678-L1681 PolarHBondContact O-N 3.08Å; Y1678-L1682 WeakPolarHBondContact O-CG 3.22Å; Y1678-L1682 PolarHBondContact O-N 3.19Å; Y1678-L1682 VanDerWaalsContact O-N 3.14Å; Y1678-Q1702 HydrophobicContact CE1-CB 4.48Å; Y1678-Q1702 HydrophobicContact CE2-CB 4.35Å; Y1678-Q1702 WeakPolarHBondContact OH-CB 3.47Å; Y1678-Q1702 PolarHBondContact OH-OE1 2.82Å; Y1678-V1703 HydrophobicContact CD1-CG2 3.56Å; Y1678-V1703 HydrophobicContact CE1-CG2 4.09Å; Y1678-V1703 HydrophobicContact CG-CG2 3.94Å; Y1678-Y1706 HydrophobicContact CD2-CD1 4.3Å; Y1678-Y1706 HydrophobicContact CD2-CD2 4.35Å; Y1678-Y1706 AromaticContact CD2-CG 3.95Å; Y1678-Y1706 HydrophobicContact CD2-CG 3.95Å |
| 1679 | Q | 81.1 | Confident | 81.3 | Confident | 115 Ų | 115 | 47.5 Ų | 47.5 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.9 | -24 | 173.1 | -67.7 | -169.1 | -11.7 | 0 | 0 | 113.3 | S1677 Q1683 Y1706 | S1677-Q1679 VanDerWaalsContact C-N 3.28Å; S1677-Q1679 PolarHBondContact O-N 2.9Å; Q1679-Q1683 PolarHBondContact O-NE2 3.22Å; Q1679-Y1706 HydrophobicContact CG-CE1 3.94Å; Q1679-Y1706 WeakPolarHBondContact CG-OH 3.47Å; Q1679-Y1706 PolarHBondContact NE2-OH 3Å |
| 1680 | V | 80.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -82 | -39.1 | 176 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | I1645 L1648 V1649 I1652 S1677 Y1678 L1682 Q1683 | I1645-V1680 HydrophobicContact CG2-CG2 3.86Å; L1648-V1680 HydrophobicContact CB-CG1 4Å; V1649-V1680 HydrophobicContact CG2-CG1 4.16Å; V1649-V1680 HydrophobicContact CG2-CG2 3.98Å; I1652-V1680 HydrophobicContact CD1-CG1 3.67Å; I1652-V1680 WeakPolarHBondContact CD1-O 3.45Å; S1677-V1680 WeakPolarHBondContact O-CA 3.06Å; S1677-V1680 WeakPolarHBondContact O-CB 3.44Å; S1677-V1680 PolarHBondContact O-N 3.14Å; Y1678-V1680 VanDerWaalsContact C-N 3.26Å; Y1678-V1680 PolarHBondContact O-N 2.83Å; V1680-L1682 VanDerWaalsContact C-N 3.31Å; V1680-L1682 PolarHBondContact O-N 3.25Å; V1680-Q1683 WeakPolarHBondContact O-CB 3.48Å; V1680-Q1683 PolarHBondContact O-N 3.05Å; V1680-Q1683 VanDerWaalsContact O-N 3.1Å |
| 1681 | L | 82.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 175 | -66.1 | -179.7 | 0 | 0 | 0 | 112.3 | C1670 S1677 Y1678 Q1683 L1684 L1689 V1692 M1699 V1703 | C1670-L1681 HydrophobicContact CB-CD2 4.27Å; S1677-L1681 PolarHBondContact O-N 3.33Å; Y1678-L1681 HydrophobicContact CD1-CD1 4.43Å; Y1678-L1681 PolarHBondContact O-N 3.08Å; L1681-Q1683 PolarHBondContact O-N 3.49Å; L1681-Q1683 VanDerWaalsContact O-N 3.14Å; L1681-L1684 HydrophobicContact CD2-CD1 3.78Å; L1681-L1684 WeakPolarHBondContact O-CB 3.4Å; L1681-L1684 PolarHBondContact O-N 3.46Å; L1681-L1684 VanDerWaalsContact O-N 3.12Å; L1681-L1689 HydrophobicContact CB-CD1 4.16Å; L1681-V1692 HydrophobicContact CD1-CG1 4.48Å; L1681-V1692 HydrophobicContact CD2-CG1 4.05Å; L1681-V1692 HydrophobicContact CD2-CG2 4.48Å; L1681-M1699 HydrophobicContact CD1-CE 4.44Å; L1681-M1699 HydrophobicContact CD1-SD 3.8Å; L1681-V1703 HydrophobicContact CD1-CG2 4.26Å |
| 1682 | L | 79.7 | Confident | 80.3 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.7 | 174.4 | -70.4 | 169.7 | 0 | 0 | 0 | 114.2 | Y1678 V1680 V1703 V1707 F1710 I1722 L1726 | Y1678-L1682 WeakPolarHBondContact O-CG 3.22Å; Y1678-L1682 PolarHBondContact O-N 3.19Å; Y1678-L1682 VanDerWaalsContact O-N 3.14Å; V1680-L1682 VanDerWaalsContact C-N 3.31Å; V1680-L1682 PolarHBondContact O-N 3.25Å; L1682-V1703 HydrophobicContact CD2-CG1 4.32Å; L1682-V1707 HydrophobicContact CD1-CG2 4.16Å; L1682-V1707 HydrophobicContact CD2-CG2 4.23Å; L1682-F1710 HydrophobicContact CD1-CZ 4.35Å; L1682-I1722 HydrophobicContact CD2-CG2 3.88Å; L1682-L1726 HydrophobicContact CD2-CD1 4.37Å |
| 1683 | Q | 81.2 | Confident | 80.2 | Confident | 104 Ų | 104 | 45 Ų | 45 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 0.3 | 173.9 | -63.4 | 171.6 | 43.8 | 0 | 0 | 113.1 | I1652 Q1679 V1680 L1681 | I1652-Q1683 HydrophobicContact CD1-CB 4.21Å; Q1679-Q1683 PolarHBondContact O-NE2 3.22Å; V1680-Q1683 WeakPolarHBondContact O-CB 3.48Å; V1680-Q1683 PolarHBondContact O-N 3.05Å; V1680-Q1683 VanDerWaalsContact O-N 3.1Å; L1681-Q1683 PolarHBondContact O-N 3.49Å; L1681-Q1683 VanDerWaalsContact O-N 3.14Å |
| 1684 | L | 81.7 | Confident | 80 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -81.6 | 148.6 | 177.1 | -67.8 | 171.6 | 0 | 0 | 0 | 111.8 | I1652 W1657 W1663 F1666 L1681 L1689 V1692 | I1652-L1684 HydrophobicContact CD1-CD2 3.76Å; I1652-L1684 HydrophobicContact CD1-CG 4.18Å; I1652-L1684 HydrophobicContact CG1-CD2 3.83Å; W1657-L1684 HydrophobicContact CE3-CD2 4.45Å; W1657-L1684 HydrophobicContact CZ3-CD2 4.03Å; W1663-L1684 HydrophobicContact CH2-CD1 4.46Å; W1663-L1684 HydrophobicContact CH2-CD2 4.49Å; F1666-L1684 HydrophobicContact CE1-CD1 4.5Å; F1666-L1684 HydrophobicContact CE1-CD2 4.42Å; L1681-L1684 HydrophobicContact CD2-CD1 3.78Å; L1681-L1684 WeakPolarHBondContact O-CB 3.4Å; L1681-L1684 PolarHBondContact O-N 3.46Å; L1681-L1684 VanDerWaalsContact O-N 3.12Å; L1684-L1689 HydrophobicContact CB-CB 4.44Å; L1684-V1692 HydrophobicContact CD1-CG2 4.01Å |
| 1685 | P | 80 | Confident | 79.8 | Confident | 53 Ų | 53 | 54.2 Ų | 54.2 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | trans | -56.4 | 147.2 | 165.7 | -23.2 | 33.7 | 0 | 0 | 0 | 111.6 | D1687 R1688 L1689 | P1685-D1687 VanDerWaalsContact C-N 3.35Å; P1685-D1687 PolarHBondContact O-N 3.46Å; P1685-R1688 HydrophobicContact CB-CG 4.44Å; P1685-R1688 WeakPolarHBondContact O-CA 3.33Å; P1685-R1688 PolarHBondContact O-N 2.79Å; P1685-L1689 PolarHBondContact O-N 3.32Å | ||
| 1686 | P | 72.7 | Confident | 79.7 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 29% | 0.286 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.1 | -44.6 | -173.5 | 21.1 | -32.5 | 0 | 0 | 0 | 112.8 | R1688 L1689 E1690 V1725 | P1686-R1688 PolarHBondContact O-N 3.05Å; P1686-R1688 VanDerWaalsContact O-N 3.15Å; P1686-L1689 WeakPolarHBondContact O-CB 3.25Å; P1686-L1689 PolarHBondContact O-N 3.07Å; P1686-L1689 VanDerWaalsContact O-N 3.08Å; P1686-E1690 PolarHBondContact O-N 3.22Å; P1686-V1725 HydrophobicContact CB-CG2 4.31Å |
| 1687 | D | 77 | Confident | 79.7 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -27.8 | 177.7 | -31.3 | -30.1 | 0 | 0 | 0 | 113.3 | P1685 A1691 | P1685-D1687 VanDerWaalsContact C-N 3.35Å; P1685-D1687 PolarHBondContact O-N 3.46Å; D1687-A1691 PolarHBondContact O-N 3.2Å |
| 1688 | R | 80.7 | Confident | 79.2 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -88.1 | -30.9 | 177.9 | -61.8 | -64.2 | 173.6 | -85.8 | 1.1 | 111.4 | W1657 W1663 P1685 P1686 A1691 V1692 | W1657-R1688 HydrophobicContact CD2-CG 4.36Å; W1663-R1688 HydrophobicContact CH2-CB 4.37Å; P1685-R1688 HydrophobicContact CB-CG 4.44Å; P1685-R1688 WeakPolarHBondContact O-CA 3.33Å; P1685-R1688 PolarHBondContact O-N 2.79Å; P1686-R1688 PolarHBondContact O-N 3.05Å; P1686-R1688 VanDerWaalsContact O-N 3.15Å; R1688-A1691 PolarHBondContact O-N 3.02Å; R1688-V1692 WeakPolarHBondContact O-CG2 3.46Å; R1688-V1692 PolarHBondContact O-N 3.08Å |
| 1689 | L | 79.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 170.5 | -175.4 | 60.7 | 0 | 0 | 0 | 111.5 | L1681 L1684 P1685 P1686 V1692 F1693 I1722 | L1681-L1689 HydrophobicContact CB-CD1 4.16Å; L1684-L1689 HydrophobicContact CB-CB 4.44Å; P1685-L1689 PolarHBondContact O-N 3.32Å; P1686-L1689 WeakPolarHBondContact O-CB 3.25Å; P1686-L1689 PolarHBondContact O-N 3.07Å; P1686-L1689 VanDerWaalsContact O-N 3.08Å; L1689-V1692 PolarHBondContact O-N 3.29Å; L1689-F1693 HydrophobicContact CD1-CE1 4.2Å; L1689-F1693 HydrophobicContact CD1-CE2 3.88Å; L1689-F1693 HydrophobicContact CD1-CZ 3.66Å; L1689-F1693 HydrophobicContact CD2-CE2 4.13Å; L1689-F1693 HydrophobicContact CD2-CZ 4.42Å; L1689-F1693 HydrophobicContact CG-CD2 4.23Å; L1689-F1693 HydrophobicContact CG-CE2 3.61Å; L1689-F1693 HydrophobicContact CG-CZ 3.94Å; L1689-F1693 WeakPolarHBondContact O-CD2 3.32Å; L1689-F1693 WeakPolarHBondContact O-CG 3.21Å; L1689-F1693 PolarHBondContact O-N 3.38Å; L1689-I1722 HydrophobicContact CD2-CG1 4.47Å; L1689-I1722 HydrophobicContact CD2-CG2 3.96Å |
| 1690 | E | 78.8 | Confident | 78.6 | Confident | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 171.3 | -166.6 | 84.6 | -96.7 | 0 | 0 | 110.8 | P1686 V1692 F1693 Q1694 R1700 V1725 | P1686-E1690 PolarHBondContact O-N 3.22Å; E1690-V1692 VanDerWaalsContact C-N 3.33Å; E1690-V1692 PolarHBondContact O-N 3.4Å; E1690-F1693 CarbonylContact O-C 3.01Å; E1690-F1693 PolarHBondContact O-N 2.93Å; E1690-Q1694 WeakPolarHBondContact O-CG 3.28Å; E1690-Q1694 PolarHBondContact O-N 3.24Å; E1690-R1700 IonicContact OE1-CZ 3.73Å; E1690-R1700 IonicContact OE1-NH1 2.75Å; E1690-R1700 PolarHBondContact OE1-NH1 3.35Å; E1690-R1700 IonicContact OE1-NH2 3.19Å; E1690-V1725 HydrophobicContact CB-CG1 4.43Å |
| 1691 | A | 78.9 | Confident | 78.4 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1687 R1688 Q1694 W1695 | D1687-A1691 PolarHBondContact O-N 3.2Å; R1688-A1691 PolarHBondContact O-N 3.02Å; A1691-Q1694 PolarHBondContact O-N 3.09Å; A1691-W1695 PolarHBondContact O-N 2.7Å; A1691-W1695 VanDerWaalsContact O-N 3.09Å |
| 1692 | V | 78.1 | Confident | 78.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 172 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | W1663 I1667 L1681 L1684 R1688 L1689 E1690 W1695 E1696 M1699 | W1663-V1692 HydrophobicContact CH2-CG2 3.98Å; W1663-V1692 HydrophobicContact CZ2-CG2 3.94Å; I1667-V1692 HydrophobicContact CG1-CG2 4.28Å; L1681-V1692 HydrophobicContact CD1-CG1 4.48Å; L1681-V1692 HydrophobicContact CD2-CG1 4.05Å; L1681-V1692 HydrophobicContact CD2-CG2 4.48Å; L1684-V1692 HydrophobicContact CD1-CG2 4.01Å; R1688-V1692 WeakPolarHBondContact O-CG2 3.46Å; R1688-V1692 PolarHBondContact O-N 3.08Å; L1689-V1692 PolarHBondContact O-N 3.29Å; E1690-V1692 VanDerWaalsContact C-N 3.33Å; E1690-V1692 PolarHBondContact O-N 3.4Å; V1692-W1695 PolarHBondContact O-N 3.48Å; V1692-E1696 PolarHBondContact O-N 2.62Å; V1692-M1699 HydrophobicContact CG1-CE 3.48Å; V1692-M1699 VanDerWaalsContact CG1-CE 3.48Å |
| 1693 | F | 81.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -74.2 | -25.8 | 176.4 | -63.5 | -34.9 | 0 | 0 | 0 | 113.9 | L1689 E1690 E1696 P1697 M1699 R1700 V1703 V1725 L1726 | L1689-F1693 HydrophobicContact CD1-CE1 4.2Å; L1689-F1693 HydrophobicContact CD1-CE2 3.88Å; L1689-F1693 HydrophobicContact CD1-CZ 3.66Å; L1689-F1693 HydrophobicContact CD2-CE2 4.13Å; L1689-F1693 HydrophobicContact CD2-CZ 4.42Å; L1689-F1693 HydrophobicContact CG-CD2 4.23Å; L1689-F1693 HydrophobicContact CG-CE2 3.61Å; L1689-F1693 HydrophobicContact CG-CZ 3.94Å; L1689-F1693 WeakPolarHBondContact O-CD2 3.32Å; L1689-F1693 WeakPolarHBondContact O-CG 3.21Å; L1689-F1693 PolarHBondContact O-N 3.38Å; E1690-F1693 CarbonylContact O-C 3.01Å; E1690-F1693 PolarHBondContact O-N 2.93Å; F1693-E1696 CarbonylContact O-C 3.55Å; F1693-P1697 WeakPolarHBondContact O-CA 3.41Å; F1693-M1699 HydrophobicContact CD1-CB 4.31Å; F1693-M1699 HydrophobicContact CE1-CB 4.24Å; F1693-R1700 HydrophobicContact CB-CB 4.39Å; F1693-R1700 HydrophobicContact CD1-CB 3.79Å; F1693-R1700 HydrophobicContact CD1-CG 4.3Å; F1693-R1700 HydrophobicContact CD2-CB 4.33Å; F1693-R1700 HydrophobicContact CD2-CG 3.94Å; F1693-R1700 HydrophobicContact CE1-CB 4.09Å; F1693-R1700 HydrophobicContact CE1-CG 4.48Å; F1693-R1700 HydrophobicContact CE2-CG 4.11Å; F1693-R1700 HydrophobicContact CG-CB 3.93Å; F1693-R1700 HydrophobicContact CG-CG 4.04Å; F1693-R1700 HydrophobicContact CZ-CB 4.47Å; F1693-R1700 HydrophobicContact CZ-CG 4.39Å; F1693-V1703 HydrophobicContact CE1-CG2 4.35Å; F1693-V1703 HydrophobicContact CZ-CB 4.42Å; F1693-V1725 HydrophobicContact CD2-CG1 4.2Å; F1693-V1725 HydrophobicContact CE2-CG1 4.22Å; F1693-L1726 HydrophobicContact CE2-CD2 3.93Å; F1693-L1726 HydrophobicContact CZ-CD2 3.77Å |
| 1694 | Q | 79.5 | Confident | 77.9 | Confident | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.9 | -39.2 | 168.1 | -70.4 | 172.8 | 13 | 0 | 0 | 111.3 | E1690 A1691 | E1690-Q1694 WeakPolarHBondContact O-CG 3.28Å; E1690-Q1694 PolarHBondContact O-N 3.24Å; A1691-Q1694 PolarHBondContact O-N 3.09Å |
| 1695 | W | 76.6 | Confident | 77.6 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 46% | 0.458 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -77.8 | -37.2 | -178.3 | -151.2 | 93 | 0 | 0 | 0 | 113.3 | D1664 I1667 R1668 A1691 V1692 | D1664-W1695 WeakPolarHBondContact OD1-CH2 3.19Å; D1664-W1695 WeakPolarHBondContact OD1-CZ2 3.43Å; I1667-W1695 HydrophobicContact CB-CE3 4.37Å; I1667-W1695 HydrophobicContact CD1-CB 4.06Å; I1667-W1695 HydrophobicContact CD1-CD2 4.32Å; I1667-W1695 HydrophobicContact CD1-CG 3.99Å; I1667-W1695 HydrophobicContact CG2-CB 4.43Å; I1667-W1695 HydrophobicContact CG2-CD2 3.99Å; I1667-W1695 HydrophobicContact CG2-CE3 3.45Å; I1667-W1695 VanDerWaalsContact CG2-CE3 3.45Å; I1667-W1695 HydrophobicContact CG2-CG 4.42Å; I1667-W1695 HydrophobicContact CG2-CZ3 3.99Å; R1668-W1695 HydrophobicContact CG-CH2 3.78Å; R1668-W1695 HydrophobicContact CG-CZ3 4.12Å; A1691-W1695 PolarHBondContact O-N 2.7Å; A1691-W1695 VanDerWaalsContact O-N 3.09Å; V1692-W1695 PolarHBondContact O-N 3.48Å |
| 1696 | E | 78.7 | Confident | 77.5 | Confident | 52 Ų | 52 | 62 Ų | 62 | 24% | 0.243 | 31% | 0.306 | C | S | . | . | trans | -138.3 | 94.8 | 166.4 | -160.3 | 177.5 | 144.6 | 0 | 0 | 113.4 | R1674 V1692 F1693 A1698 M1699 | R1674-E1696 IonicContact CZ-OE1 2.76Å; R1674-E1696 VanDerWaalsContact CZ-OE1 3.25Å; R1674-E1696 IonicContact CZ-OE2 2.68Å; R1674-E1696 IonicContact NH1-OE1 3.16Å; R1674-E1696 PolarHBondContact NH1-OE1 3.2Å; R1674-E1696 IonicContact NH1-OE2 2.72Å; R1674-E1696 IonicContact NH2-OE1 3.03Å; R1674-E1696 PolarHBondContact NH2-OE1 3.2Å; R1674-E1696 IonicContact NH2-OE2 2.79Å; R1674-E1696 PolarHBondContact NH2-OE2 3.2Å; V1692-E1696 PolarHBondContact O-N 2.62Å; F1693-E1696 CarbonylContact O-C 3.55Å; E1696-A1698 HydrophobicContact CG-CB 4.33Å; E1696-A1698 PolarHBondContact O-N 2.82Å; E1696-A1698 VanDerWaalsContact O-N 3.16Å; E1696-M1699 HydrophobicContact CB-CE 4.13Å; E1696-M1699 PolarHBondContact O-N 2.63Å | ||
| 1697 | P | 76.5 | Confident | 77.7 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 60% | 0.597 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.9 | -174.6 | 24.6 | -34.3 | 0 | 0 | 0 | 114 | F1693 M1699 R1700 | F1693-P1697 WeakPolarHBondContact O-CA 3.41Å; P1697-M1699 PolarHBondContact O-N 3.43Å; P1697-R1700 WeakPolarHBondContact O-CB 3.25Å; P1697-R1700 PolarHBondContact O-N 2.99Å; P1697-R1700 VanDerWaalsContact O-N 3.12Å |
| 1698 | A | 73.8 | Confident | 77.6 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.3 | -28.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | E1696 Q1702 | E1696-A1698 HydrophobicContact CG-CB 4.33Å; E1696-A1698 PolarHBondContact O-N 2.82Å; E1696-A1698 VanDerWaalsContact O-N 3.16Å; A1698-Q1702 WeakPolarHBondContact O-CG 3.46Å |
| 1699 | M | 75.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.8 | -30 | 176.8 | -74 | -163.7 | -75.8 | 0 | 0 | 113.3 | R1674 L1681 V1692 F1693 E1696 P1697 G1701 Q1702 V1703 | R1674-M1699 VanDerWaalsContact NE-CG 3.27Å; R1674-M1699 PolarHBondContact NE-SD 3Å; R1674-M1699 VanDerWaalsContact NH2-CG 3.26Å; R1674-M1699 PolarHBondContact NH2-SD 3.09Å; L1681-M1699 HydrophobicContact CD1-CE 4.44Å; L1681-M1699 HydrophobicContact CD1-SD 3.8Å; V1692-M1699 HydrophobicContact CG1-CE 3.48Å; V1692-M1699 VanDerWaalsContact CG1-CE 3.48Å; F1693-M1699 HydrophobicContact CD1-CB 4.31Å; F1693-M1699 HydrophobicContact CE1-CB 4.24Å; E1696-M1699 HydrophobicContact CB-CE 4.13Å; E1696-M1699 PolarHBondContact O-N 2.63Å; P1697-M1699 PolarHBondContact O-N 3.43Å; M1699-G1701 VanDerWaalsContact C-N 3.33Å; M1699-G1701 PolarHBondContact O-N 2.87Å; M1699-Q1702 PolarHBondContact O-N 2.57Å; M1699-V1703 WeakPolarHBondContact O-CG2 3.36Å; M1699-V1703 PolarHBondContact O-N 2.77Å |
| 1700 | R | 77.1 | Confident | 77.4 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -45.2 | -175.7 | -165.1 | 179 | -177.9 | 115.8 | -13.9 | 111.4 | E1690 F1693 P1697 R1704 V1725 H1728 | E1690-R1700 IonicContact OE1-CZ 3.73Å; E1690-R1700 IonicContact OE1-NH1 2.75Å; E1690-R1700 PolarHBondContact OE1-NH1 3.35Å; E1690-R1700 IonicContact OE1-NH2 3.19Å; F1693-R1700 HydrophobicContact CB-CB 4.39Å; F1693-R1700 HydrophobicContact CD1-CB 3.79Å; F1693-R1700 HydrophobicContact CD1-CG 4.3Å; F1693-R1700 HydrophobicContact CD2-CB 4.33Å; F1693-R1700 HydrophobicContact CD2-CG 3.94Å; F1693-R1700 HydrophobicContact CE1-CB 4.09Å; F1693-R1700 HydrophobicContact CE1-CG 4.48Å; F1693-R1700 HydrophobicContact CE2-CG 4.11Å; F1693-R1700 HydrophobicContact CG-CB 3.93Å; F1693-R1700 HydrophobicContact CG-CG 4.04Å; F1693-R1700 HydrophobicContact CZ-CB 4.47Å; F1693-R1700 HydrophobicContact CZ-CG 4.39Å; P1697-R1700 WeakPolarHBondContact O-CB 3.25Å; P1697-R1700 PolarHBondContact O-N 2.99Å; P1697-R1700 VanDerWaalsContact O-N 3.12Å; R1700-R1704 VanDerWaalsContact O-CB 3.3Å; R1700-R1704 WeakPolarHBondContact O-CB 3.45Å; R1700-R1704 PolarHBondContact O-N 3.14Å; R1700-V1725 PolarHBondContact NE-O 3.31Å; R1700-V1725 PolarHBondContact NH2-O 3.03Å; R1700-H1728 PolarHBondContact NH2-O 3.24Å |
| 1701 | G | 76.8 | Confident | 77.2 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.3 | -28.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1699 R1705 | M1699-G1701 VanDerWaalsContact C-N 3.33Å; M1699-G1701 PolarHBondContact O-N 2.87Å; G1701-R1705 WeakPolarHBondContact O-CG 3.42Å; G1701-R1705 PolarHBondContact O-N 2.94Å |
| 1702 | Q | 77.6 | Confident | 76.8 | Confident | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78.4 | -41 | 179.6 | -65.4 | 174.4 | -2.2 | 0 | 0 | 111.7 | Y1678 A1698 M1699 Y1706 | Y1678-Q1702 HydrophobicContact CE1-CB 4.48Å; Y1678-Q1702 HydrophobicContact CE2-CB 4.35Å; Y1678-Q1702 WeakPolarHBondContact OH-CB 3.47Å; Y1678-Q1702 PolarHBondContact OH-OE1 2.82Å; A1698-Q1702 WeakPolarHBondContact O-CG 3.46Å; M1699-Q1702 PolarHBondContact O-N 2.57Å; Q1702-Y1706 PolarHBondContact O-N 3.17Å; Q1702-Y1706 VanDerWaalsContact O-N 3.08Å |
| 1703 | V | 77.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | Y1678 L1681 L1682 F1693 M1699 R1705 Y1706 V1707 L1726 | Y1678-V1703 HydrophobicContact CD1-CG2 3.56Å; Y1678-V1703 HydrophobicContact CE1-CG2 4.09Å; Y1678-V1703 HydrophobicContact CG-CG2 3.94Å; L1681-V1703 HydrophobicContact CD1-CG2 4.26Å; L1682-V1703 HydrophobicContact CD2-CG1 4.32Å; F1693-V1703 HydrophobicContact CE1-CG2 4.35Å; F1693-V1703 HydrophobicContact CZ-CB 4.42Å; M1699-V1703 WeakPolarHBondContact O-CG2 3.36Å; M1699-V1703 PolarHBondContact O-N 2.77Å; V1703-R1705 PolarHBondContact O-N 2.82Å; V1703-Y1706 WeakPolarHBondContact O-CB 3.4Å; V1703-Y1706 PolarHBondContact O-N 3.42Å; V1703-Y1706 VanDerWaalsContact O-N 3.13Å; V1703-V1707 PolarHBondContact O-N 3.01Å; V1703-L1726 HydrophobicContact CB-CD2 4.26Å; V1703-L1726 HydrophobicContact CG1-CD1 4.49Å; V1703-L1726 HydrophobicContact CG1-CD2 3.84Å |
| 1704 | R | 77.3 | Confident | 75.9 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 28% | 0.275 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 174.3 | -167.1 | -166.9 | -74.3 | -175.4 | -8.2 | 111.3 | R1700 Y1706 V1707 E1708 L1726 E1727 | R1700-R1704 VanDerWaalsContact O-CB 3.3Å; R1700-R1704 WeakPolarHBondContact O-CB 3.45Å; R1700-R1704 PolarHBondContact O-N 3.14Å; R1704-Y1706 VanDerWaalsContact C-N 3.26Å; R1704-Y1706 PolarHBondContact O-N 2.92Å; R1704-V1707 PolarHBondContact O-N 3.34Å; R1704-V1707 VanDerWaalsContact O-N 3.13Å; R1704-E1708 VanDerWaalsContact CD-OE1 3.29Å; R1704-E1708 WeakPolarHBondContact CD-OE1 3.18Å; R1704-E1708 HydrophobicContact CG-CG 4.47Å; R1704-E1708 WeakPolarHBondContact CG-OE1 3.3Å; R1704-E1708 VanDerWaalsContact O-CG 3.31Å; R1704-E1708 WeakPolarHBondContact O-CG 3.37Å; R1704-E1708 PolarHBondContact O-N 3.42Å; R1704-L1726 PolarHBondContact NE-O 3.43Å; R1704-L1726 PolarHBondContact NH2-O 2.94Å; R1704-E1727 PolarHBondContact NH2-O 3.02Å |
| 1705 | R | 75.2 | Confident | 75.3 | Confident | 185 Ų | 185 | 74.5 Ų | 74.5 | 70% | 0.698 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.2 | -31.9 | 174.7 | -78 | -179.5 | 174.4 | -170.8 | -1 | 114.2 | G1701 V1703 E1708 N1709 | G1701-R1705 WeakPolarHBondContact O-CG 3.42Å; G1701-R1705 PolarHBondContact O-N 2.94Å; V1703-R1705 PolarHBondContact O-N 2.82Å; R1705-E1708 WeakPolarHBondContact CA-OE2 3.42Å; R1705-N1709 PolarHBondContact O-N 3.32Å |
| 1706 | Y | 78.3 | Confident | 74.8 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 26% | 0.263 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 174.9 | -175.9 | -114.6 | 0 | 0 | 0 | 111.4 | Y1678 Q1679 Q1702 V1703 R1704 N1709 F1710 | Y1678-Y1706 HydrophobicContact CD2-CD1 4.3Å; Y1678-Y1706 HydrophobicContact CD2-CD2 4.35Å; Y1678-Y1706 AromaticContact CD2-CG 3.95Å; Y1678-Y1706 HydrophobicContact CD2-CG 3.95Å; Q1679-Y1706 HydrophobicContact CG-CE1 3.94Å; Q1679-Y1706 WeakPolarHBondContact CG-OH 3.47Å; Q1679-Y1706 PolarHBondContact NE2-OH 3Å; Q1702-Y1706 PolarHBondContact O-N 3.17Å; Q1702-Y1706 VanDerWaalsContact O-N 3.08Å; V1703-Y1706 WeakPolarHBondContact O-CB 3.4Å; V1703-Y1706 PolarHBondContact O-N 3.42Å; V1703-Y1706 VanDerWaalsContact O-N 3.13Å; R1704-Y1706 VanDerWaalsContact C-N 3.26Å; R1704-Y1706 PolarHBondContact O-N 2.92Å; Y1706-N1709 PolarHBondContact O-N 3.08Å; Y1706-F1710 AromaticContact CD1-CE1 3.81Å; Y1706-F1710 HydrophobicContact CD1-CE1 3.81Å; Y1706-F1710 AromaticContact CD1-CZ 3.94Å; Y1706-F1710 HydrophobicContact CD1-CZ 3.94Å; Y1706-F1710 AromaticContact CE1-CE1 3.56Å; Y1706-F1710 HydrophobicContact CE1-CE1 3.56Å; Y1706-F1710 AromaticContact CE1-CZ 3.56Å; Y1706-F1710 HydrophobicContact CE1-CZ 3.56Å; Y1706-F1710 HydrophobicContact CE2-CE1 4.28Å; Y1706-F1710 HydrophobicContact CG-CE1 4.28Å; Y1706-F1710 AromaticContact CZ-CE1 3.8Å; Y1706-F1710 WeakPolarHBondContact O-CD1 3.31Å; Y1706-F1710 WeakPolarHBondContact O-CE1 3.21Å |
| 1707 | V | 76.9 | Confident | 74 | Confident | 21 Ų | 21 | 80.5 Ų | 80.5 | 13% | 0.127 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.6 | -35 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 112.5 | L1682 V1703 R1704 N1709 F1710 I1718 L1726 | L1682-V1707 HydrophobicContact CD1-CG2 4.16Å; L1682-V1707 HydrophobicContact CD2-CG2 4.23Å; V1703-V1707 PolarHBondContact O-N 3.01Å; R1704-V1707 PolarHBondContact O-N 3.34Å; R1704-V1707 VanDerWaalsContact O-N 3.13Å; V1707-N1709 PolarHBondContact O-N 3.07Å; V1707-F1710 WeakPolarHBondContact O-CB 3.46Å; V1707-F1710 PolarHBondContact O-N 3.09Å; V1707-I1718 HydrophobicContact CB-CD1 4.33Å; V1707-I1718 HydrophobicContact CG1-CD1 3.49Å; V1707-I1718 VanDerWaalsContact CG1-CD1 3.49Å; V1707-I1718 HydrophobicContact CG2-CD1 3.92Å; V1707-L1726 HydrophobicContact CG2-CD1 4.13Å |
| 1708 | E | 74.5 | Confident | 73.6 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 45% | 0.453 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.8 | -32 | 173.5 | -75.3 | 163.5 | -174.5 | 0 | 0 | 111.9 | R1704 R1705 F1710 R1715 | R1704-E1708 VanDerWaalsContact CD-OE1 3.29Å; R1704-E1708 WeakPolarHBondContact CD-OE1 3.18Å; R1704-E1708 HydrophobicContact CG-CG 4.47Å; R1704-E1708 WeakPolarHBondContact CG-OE1 3.3Å; R1704-E1708 VanDerWaalsContact O-CG 3.31Å; R1704-E1708 WeakPolarHBondContact O-CG 3.37Å; R1704-E1708 PolarHBondContact O-N 3.42Å; R1705-E1708 WeakPolarHBondContact CA-OE2 3.42Å; E1708-F1710 VanDerWaalsContact C-N 3.31Å; E1708-F1710 PolarHBondContact O-N 2.85Å; E1708-R1715 PolarHBondContact O-NH2 2.83Å |
| 1709 | N | 78.2 | Confident | 73.3 | Confident | 141 Ų | 141 | 78 Ų | 78 | 75% | 0.754 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -2 | 177.4 | -71.8 | -19.5 | 0 | 0 | 0 | 114.6 | R1705 Y1706 V1707 | R1705-N1709 PolarHBondContact O-N 3.32Å; Y1706-N1709 PolarHBondContact O-N 3.08Å; V1707-N1709 PolarHBondContact O-N 3.07Å |
| 1710 | F | 78.1 | Confident | 72.9 | Confident | 37 Ų | 37 | 85.3 Ų | 85.3 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -74.9 | 143.5 | 179.6 | -76.3 | 14.4 | 0 | 0 | 0 | 112 | L1682 Y1706 V1707 E1708 Q1714 R1715 I1718 | L1682-F1710 HydrophobicContact CD1-CZ 4.35Å; Y1706-F1710 AromaticContact CD1-CE1 3.81Å; Y1706-F1710 HydrophobicContact CD1-CE1 3.81Å; Y1706-F1710 AromaticContact CD1-CZ 3.94Å; Y1706-F1710 HydrophobicContact CD1-CZ 3.94Å; Y1706-F1710 AromaticContact CE1-CE1 3.56Å; Y1706-F1710 HydrophobicContact CE1-CE1 3.56Å; Y1706-F1710 AromaticContact CE1-CZ 3.56Å; Y1706-F1710 HydrophobicContact CE1-CZ 3.56Å; Y1706-F1710 HydrophobicContact CE2-CE1 4.28Å; Y1706-F1710 HydrophobicContact CG-CE1 4.28Å; Y1706-F1710 AromaticContact CZ-CE1 3.8Å; Y1706-F1710 WeakPolarHBondContact O-CD1 3.31Å; Y1706-F1710 WeakPolarHBondContact O-CE1 3.21Å; V1707-F1710 WeakPolarHBondContact O-CB 3.46Å; V1707-F1710 PolarHBondContact O-N 3.09Å; E1708-F1710 VanDerWaalsContact C-N 3.31Å; E1708-F1710 PolarHBondContact O-N 2.85Å; F1710-Q1714 HydrophobicContact CB-CB 3.87Å; F1710-Q1714 HydrophobicContact CD2-CB 3.98Å; F1710-Q1714 HydrophobicContact CG-CB 4.14Å; F1710-R1715 HydrophobicContact CB-CG 3.88Å; F1710-R1715 PolarHBondContact O-NE 3.18Å; F1710-I1718 HydrophobicContact CD2-CD1 3.86Å; F1710-I1718 HydrophobicContact CE2-CD1 3.94Å |
| 1711 | S | 75 | Confident | 72.4 | Confident | 61 Ų | 61 | 85.5 Ų | 85.5 | 43% | 0.427 | 44% | 0.44 | S | S | . | . | trans | -65.1 | 158.9 | 174 | 80.3 | 0 | 0 | 0 | 0 | 111.8 | A1713 Q1714 R1715 | S1711-A1713 PolarHBondContact O-N 3.02Å; S1711-A1713 VanDerWaalsContact O-N 3.13Å; S1711-Q1714 WeakPolarHBondContact O-CB 3.33Å; S1711-Q1714 PolarHBondContact O-N 3.02Å; S1711-Q1714 WeakPolarHBondContact OG-CG 3.33Å; S1711-Q1714 PolarHBondContact OG-N 3.38Å; S1711-Q1714 PolarHBondContact OG-OE1 3.23Å; S1711-R1715 WeakPolarHBondContact O-CG 3.16Å; S1711-R1715 PolarHBondContact O-N 3.42Å | ||
| 1712 | S | 70.8 | Confident | 72 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 69% | 0.692 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -54.3 | -36.2 | -179.1 | -47.2 | 0 | 0 | 0 | 0 | 113.1 | I1716 | S1712-I1716 WeakPolarHBondContact O-CD1 3.29Å; S1712-I1716 WeakPolarHBondContact O-CG1 3.43Å |
| 1713 | A | 71.3 | Confident | 71.6 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -71.1 | -35.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1711 H1717 | S1711-A1713 PolarHBondContact O-N 3.02Å; S1711-A1713 VanDerWaalsContact O-N 3.13Å; A1713-H1717 PolarHBondContact O-ND1 3.23Å |
| 1714 | Q | 67.9 | Low | 71 | Confident | 102 Ų | 102 | 86.1 Ų | 86.1 | 48% | 0.477 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.2 | -38.3 | 176.4 | -72.6 | 168 | -29.6 | 0 | 0 | 111.8 | F1710 S1711 I1716 H1717 | F1710-Q1714 HydrophobicContact CB-CB 3.87Å; F1710-Q1714 HydrophobicContact CD2-CB 3.98Å; F1710-Q1714 HydrophobicContact CG-CB 4.14Å; S1711-Q1714 WeakPolarHBondContact O-CB 3.33Å; S1711-Q1714 PolarHBondContact O-N 3.02Å; S1711-Q1714 WeakPolarHBondContact OG-CG 3.33Å; S1711-Q1714 PolarHBondContact OG-N 3.38Å; S1711-Q1714 PolarHBondContact OG-OE1 3.23Å; Q1714-I1716 VanDerWaalsContact C-N 3.29Å; Q1714-I1716 PolarHBondContact O-N 3.09Å; Q1714-H1717 PolarHBondContact O-N 3.1Å |
| 1715 | R | 66.9 | Low | 70.5 | Confident | 136 Ų | 136 | 83.6 Ų | 83.6 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -32.5 | 179.1 | -66.6 | -177.7 | -170.7 | -166.7 | 2.3 | 113.4 | E1708 F1710 S1711 H1717 I1718 | E1708-R1715 PolarHBondContact O-NH2 2.83Å; F1710-R1715 HydrophobicContact CB-CG 3.88Å; F1710-R1715 PolarHBondContact O-NE 3.18Å; S1711-R1715 WeakPolarHBondContact O-CG 3.16Å; S1711-R1715 PolarHBondContact O-N 3.42Å; R1715-H1717 PolarHBondContact O-N 3.01Å; R1715-I1718 PolarHBondContact O-N 3.43Å |
| 1716 | I | 65.8 | Low | 70.1 | Confident | 137 Ų | 137 | 75 Ų | 75 | 70% | 0.703 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.1 | 177.2 | -70.5 | 160.5 | 0 | 0 | 0 | 112.4 | S1712 Q1714 | S1712-I1716 WeakPolarHBondContact O-CD1 3.29Å; S1712-I1716 WeakPolarHBondContact O-CG1 3.43Å; Q1714-I1716 VanDerWaalsContact C-N 3.29Å; Q1714-I1716 PolarHBondContact O-N 3.09Å |
| 1717 | H | 63.1 | Low | 69.2 | Low | 163 Ų | 163 | 77.9 Ų | 77.9 | 76% | 0.755 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2 | -175.9 | -68.1 | 84.3 | 0 | 0 | 0 | 114.4 | A1713 Q1714 R1715 | A1713-H1717 PolarHBondContact O-ND1 3.23Å; Q1714-H1717 PolarHBondContact O-N 3.1Å; R1715-H1717 PolarHBondContact O-N 3.01Å |
| 1718 | I | 68.6 | Low | 68.3 | Low | 30 Ų | 30 | 83 Ų | 83 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -90 | 129.1 | 175.5 | -54.2 | 178.2 | 0 | 0 | 0 | 108.7 | V1707 F1710 R1715 I1722 V1723 | V1707-I1718 HydrophobicContact CB-CD1 4.33Å; V1707-I1718 HydrophobicContact CG1-CD1 3.49Å; V1707-I1718 VanDerWaalsContact CG1-CD1 3.49Å; V1707-I1718 HydrophobicContact CG2-CD1 3.92Å; F1710-I1718 HydrophobicContact CD2-CD1 3.86Å; F1710-I1718 HydrophobicContact CE2-CD1 3.94Å; R1715-I1718 PolarHBondContact O-N 3.43Å; I1718-I1722 HydrophobicContact CG2-CB 4.11Å; I1718-I1722 HydrophobicContact CG2-CG2 3.85Å; I1718-V1723 HydrophobicContact CB-CG2 4.23Å; I1718-V1723 HydrophobicContact CG2-CG2 3.76Å |
| 1719 | S | 67 | Low | 66.7 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 43% | 0.434 | 44% | 0.444 | S | S | . | . | trans | -65.7 | 140.6 | -179.1 | 75.2 | 0 | 0 | 0 | 0 | 111.6 | A1721 I1722 V1723 | S1719-A1721 PolarHBondContact O-N 3.1Å; S1719-A1721 VanDerWaalsContact O-N 3.16Å; S1719-I1722 PolarHBondContact O-N 3.11Å; S1719-I1722 WeakPolarHBondContact OG-CD1 3.17Å; S1719-I1722 WeakPolarHBondContact OG-CG1 3.31Å; S1719-V1723 PolarHBondContact O-N 3.18Å; S1719-V1723 VanDerWaalsContact O-N 3.12Å | ||
| 1720 | K | 67 | Low | 65 | Low | 154 Ų | 154 | 82.1 Ų | 82.1 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.1 | -34.4 | -175.2 | -170.5 | 168.8 | -179.5 | -74.5 | 0 | 113 | V1723 E1724 | K1720-V1723 PolarHBondContact O-N 2.94Å; K1720-E1724 IonicContact NZ-OE1 2.61Å; K1720-E1724 PolarHBondContact NZ-OE1 3.47Å; K1720-E1724 WeakPolarHBondContact O-CG 3.4Å; K1720-E1724 PolarHBondContact O-N 3.37Å |
| 1721 | A | 65.4 | Low | 62.8 | Low | 43 Ų | 43 | 86.2 Ų | 86.2 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1719 V1723 E1724 V1725 | S1719-A1721 PolarHBondContact O-N 3.1Å; S1719-A1721 VanDerWaalsContact O-N 3.16Å; A1721-V1723 VanDerWaalsContact C-N 3.34Å; A1721-E1724 PolarHBondContact O-N 3.03Å; A1721-V1725 WeakPolarHBondContact O-CG2 3.49Å; A1721-V1725 PolarHBondContact O-N 2.69Å |
| 1722 | I | 69.8 | Low | 60.7 | Low | 16 Ų | 16 | 89.2 Ų | 89.2 | 8% | 0.082 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 173.9 | -69.6 | 172.7 | 0 | 0 | 0 | 110.2 | L1682 L1689 I1718 S1719 L1726 | L1682-I1722 HydrophobicContact CD2-CG2 3.88Å; L1689-I1722 HydrophobicContact CD2-CG1 4.47Å; L1689-I1722 HydrophobicContact CD2-CG2 3.96Å; I1718-I1722 HydrophobicContact CG2-CB 4.11Å; I1718-I1722 HydrophobicContact CG2-CG2 3.85Å; S1719-I1722 PolarHBondContact O-N 3.11Å; S1719-I1722 WeakPolarHBondContact OG-CD1 3.17Å; S1719-I1722 WeakPolarHBondContact OG-CG1 3.31Å; I1722-L1726 HydrophobicContact CG2-CD1 4.05Å; I1722-L1726 WeakPolarHBondContact O-CB 3.32Å; I1722-L1726 VanDerWaalsContact O-CG 3.28Å; I1722-L1726 WeakPolarHBondContact O-CG 3.29Å; I1722-L1726 PolarHBondContact O-N 3.14Å |
| 1723 | V | 67.6 | Low | 59.1 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 26% | 0.255 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | I1718 S1719 K1720 A1721 V1725 L1726 E1727 | I1718-V1723 HydrophobicContact CB-CG2 4.23Å; I1718-V1723 HydrophobicContact CG2-CG2 3.76Å; S1719-V1723 PolarHBondContact O-N 3.18Å; S1719-V1723 VanDerWaalsContact O-N 3.12Å; K1720-V1723 PolarHBondContact O-N 2.94Å; A1721-V1723 VanDerWaalsContact C-N 3.34Å; V1723-V1725 PolarHBondContact O-N 3.44Å; V1723-L1726 CarbonylContact O-C 3.51Å; V1723-L1726 WeakPolarHBondContact O-CA 3.15Å; V1723-L1726 WeakPolarHBondContact O-CB 3.43Å; V1723-L1726 PolarHBondContact O-N 2.94Å; V1723-E1727 HydrophobicContact CG1-CG 4.04Å; V1723-E1727 WeakPolarHBondContact CG1-OE1 3.13Å; V1723-E1727 WeakPolarHBondContact O-CB 3.43Å; V1723-E1727 WeakPolarHBondContact O-CG 3.46Å; V1723-E1727 PolarHBondContact O-N 3.1Å |
| 1724 | E | 65.5 | Low | 57.2 | Low | 80 Ų | 80 | 99.2 Ų | 99.2 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.7 | -75.1 | 163.5 | 174.2 | 0 | 0 | 112.2 | K1720 A1721 L1726 E1727 H1728 | K1720-E1724 IonicContact NZ-OE1 2.61Å; K1720-E1724 PolarHBondContact NZ-OE1 3.47Å; K1720-E1724 WeakPolarHBondContact O-CG 3.4Å; K1720-E1724 PolarHBondContact O-N 3.37Å; A1721-E1724 PolarHBondContact O-N 3.03Å; E1724-L1726 VanDerWaalsContact C-N 3.29Å; E1724-L1726 PolarHBondContact O-N 3.49Å; E1724-E1727 PolarHBondContact O-N 3.31Å; E1724-H1728 PolarHBondContact O-N 3.3Å; E1724-H1728 PolarHBondContact O-ND1 2.95Å |
| 1725 | V | 68.3 | Low | 55.3 | Low | 20 Ų | 20 | 102.2 Ų | 102.2 | 12% | 0.121 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -64.5 | -30.6 | 172.4 | 173.1 | 0 | 0 | 0 | 0 | 112 | P1686 E1690 F1693 R1700 A1721 V1723 | P1686-V1725 HydrophobicContact CB-CG2 4.31Å; E1690-V1725 HydrophobicContact CB-CG1 4.43Å; F1693-V1725 HydrophobicContact CD2-CG1 4.2Å; F1693-V1725 HydrophobicContact CE2-CG1 4.22Å; R1700-V1725 PolarHBondContact NE-O 3.31Å; R1700-V1725 PolarHBondContact NH2-O 3.03Å; A1721-V1725 WeakPolarHBondContact O-CG2 3.49Å; A1721-V1725 PolarHBondContact O-N 2.69Å; V1723-V1725 PolarHBondContact O-N 3.44Å |
| 1726 | L | 65.1 | Low | 53.6 | Low | 4 Ų | 4 | 100.6 Ų | 100.6 | 2% | 0.021 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -77.8 | -32.3 | 173.9 | -76.3 | 170.3 | 0 | 0 | 0 | 113.4 | L1682 F1693 V1703 R1704 V1707 I1722 V1723 E1724 | L1682-L1726 HydrophobicContact CD2-CD1 4.37Å; F1693-L1726 HydrophobicContact CE2-CD2 3.93Å; F1693-L1726 HydrophobicContact CZ-CD2 3.77Å; V1703-L1726 HydrophobicContact CB-CD2 4.26Å; V1703-L1726 HydrophobicContact CG1-CD1 4.49Å; V1703-L1726 HydrophobicContact CG1-CD2 3.84Å; R1704-L1726 PolarHBondContact NE-O 3.43Å; R1704-L1726 PolarHBondContact NH2-O 2.94Å; V1707-L1726 HydrophobicContact CG2-CD1 4.13Å; I1722-L1726 HydrophobicContact CG2-CD1 4.05Å; I1722-L1726 WeakPolarHBondContact O-CB 3.32Å; I1722-L1726 VanDerWaalsContact O-CG 3.28Å; I1722-L1726 WeakPolarHBondContact O-CG 3.29Å; I1722-L1726 PolarHBondContact O-N 3.14Å; V1723-L1726 CarbonylContact O-C 3.51Å; V1723-L1726 WeakPolarHBondContact O-CA 3.15Å; V1723-L1726 WeakPolarHBondContact O-CB 3.43Å; V1723-L1726 PolarHBondContact O-N 2.94Å; E1724-L1726 VanDerWaalsContact C-N 3.29Å; E1724-L1726 PolarHBondContact O-N 3.49Å |
| 1727 | E | 59.6 | Low | 51.8 | Low | 127 Ų | 127 | 100.3 Ų | 100.3 | 59% | 0.593 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.3 | -37.6 | -173.9 | -77.1 | -175.9 | 172.9 | 0 | 0 | 113.5 | R1704 V1723 E1724 V1729 | R1704-E1727 PolarHBondContact NH2-O 3.02Å; V1723-E1727 HydrophobicContact CG1-CG 4.04Å; V1723-E1727 WeakPolarHBondContact CG1-OE1 3.13Å; V1723-E1727 WeakPolarHBondContact O-CB 3.43Å; V1723-E1727 WeakPolarHBondContact O-CG 3.46Å; V1723-E1727 PolarHBondContact O-N 3.1Å; E1724-E1727 PolarHBondContact O-N 3.31Å; E1727-V1729 PolarHBondContact O-N 3.41Å |
| 1728 | H | 57.9 | Low | 50.4 | Low | 130 Ų | 130 | 98 Ų | 98 | 60% | 0.602 | 54% | 0.543 | S | S | * | . | trans | -55.8 | 127.2 | -177.7 | -83.6 | 32.1 | 0 | 0 | 0 | 112.6 | R1700 E1724 | R1700-H1728 PolarHBondContact NH2-O 3.24Å; E1724-H1728 PolarHBondContact O-N 3.3Å; E1724-H1728 PolarHBondContact O-ND1 2.95Å | ||
| 1729 | V | 40.9 | Very low | 48.4 | Very low | 108 Ų | 108 | 105.6 Ų | 105.6 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | trans | -114.9 | 106.8 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | E1727 T1731 | E1727-V1729 PolarHBondContact O-N 3.41Å; V1729-T1731 PolarHBondContact O-N 2.94Å | ||
| 1730 | P | 44.1 | Very low | 46.6 | Very low | 110 Ų | 110 | 107.8 Ų | 107.8 | 71% | 0.714 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.5 | 173.8 | -21.8 | 34.3 | 0 | 0 | 0 | 111.5 | ||
| 1731 | T | 30.4 | Very low | 44.9 | Very low | 124 Ų | 124 | 109.1 Ų | 109.1 | 76% | 0.761 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 136.6 | 172.5 | 7.4 | 0 | 0 | 0 | 0 | 110.6 | V1729 P1733 | V1729-T1731 PolarHBondContact O-N 2.94Å; T1731-P1733 VanDerWaalsContact O-CD 3.22Å; T1731-P1733 WeakPolarHBondContact O-CD 3.49Å |
| 1732 | P | 31.8 | Very low | 43.4 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 81% | 0.805 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 118.7 | -173.6 | 29.9 | -34.2 | 0 | 0 | 0 | 113.3 | ||
| 1733 | P | 36.7 | Very low | 41.3 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 167.7 | 171.6 | -5.2 | 27.2 | 0 | 0 | 0 | 111.9 | T1731 | T1731-P1733 VanDerWaalsContact O-CD 3.22Å; T1731-P1733 WeakPolarHBondContact O-CD 3.49Å |
| 1734 | R | 31.5 | Very low | 39.4 | Very low | 247 Ų | 247 | 124.4 Ų | 124.4 | 93% | 0.932 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 154.7 | -169.2 | -60 | 172.9 | 177.4 | -174.2 | -2.9 | 113.6 | ||
| 1735 | L | 28.5 | Very low | 37.6 | Very low | 165 Ų | 165 | 126 Ų | 126 | 86% | 0.864 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 166.2 | 156.2 | -68.6 | 156.8 | 0 | 0 | 0 | 111.4 | ||
| 1736 | P | 32 | Very low | 35.7 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | cis | -142.7 | -160.8 | 17 | 41.4 | -20 | 0 | 0 | 0 | 116.4 | ||||
| 1737 | T | 26.9 | Very low | 34 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | 83.3 | 132.1 | 150.8 | 34.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1738 | P | 33.2 | Very low | 32.3 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -123.5 | 155 | 177.3 | 42 | -29.9 | 0 | 0 | 0 | 116.2 | ||||
| 1739 | E | 28.1 | Very low | 30.8 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -140.8 | 134.3 | 155.7 | -64.4 | -171.5 | 150.8 | 0 | 0 | 106.6 | ||||
| 1740 | V | 29.2 | Very low | 29.9 | Very low | 109 Ų | 109 | 141 Ų | 141 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | cis | 80 | 100.7 | 32.8 | -172.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1741 | H | 31.3 | Very low | 29 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | -175.2 | 159.3 | 116.3 | -97.6 | -67.1 | 0 | 0 | 0 | 112.9 | |||||
| 1742 | P | 33 | Very low | 28.7 | Very low | 92 Ų | 92 | 144 Ų | 144 | 60% | 0.597 | 77% | 0.773 | S | S | * | * | trans | -133 | -171.5 | -164.6 | 44.8 | -28.9 | 0 | 0 | 0 | 116.3 | ||||
| 1743 | N | 25.4 | Very low | 28.4 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 72 | 122 | 158.5 | -56.8 | -16.8 | 0 | 0 | 0 | 119.7 | ||||
| 1744 | K | 28.9 | Very low | 27.9 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | 163.3 | 107 | 119.3 | -91.8 | 172.1 | -177.4 | -178.5 | 0 | 112.6 | |||||
| 1745 | T | 26.8 | Very low | 27.8 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | 87.5 | 132.4 | 92.1 | 55.6 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1746 | N | 28.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 97.8 | 149 | 156.6 | -56.1 | -15.4 | 0 | 0 | 0 | 119.9 | ||||
| 1747 | S | 28.5 | Very low | 27.5 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 61.2 | 93.4 | 169.5 | 51.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1748 | D | 24.3 | Very low | 27.4 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | 67.9 | 139.4 | 128.2 | -44.1 | -38.6 | 0 | 0 | 0 | 122.9 | |||||
| 1749 | L | 26.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | 85.5 | 136.2 | 167.5 | -64 | 148.1 | 0 | 0 | 0 | 120.3 | ||||
| 1750 | E | 22.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | trans | 28.9 | 133.1 | 162.6 | -58.4 | -169.7 | 121.7 | 0 | 0 | 123.7 | K1579 | K1579-E1750 IonicContact NZ-OE1 2.73Å; K1579-E1750 PolarHBondContact NZ-OE1 2.72Å | ||
| 1751 | T | 24.2 | Very low | 27 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | trans | 100 | 121 | 144.9 | -13.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1752 | Q | 24.9 | Very low | 27 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | 74.5 | 144.7 | 140.3 | -96.3 | 170.5 | -8.6 | 0 | 0 | 126.9 | ||||
| 1753 | E | 25.6 | Very low | 26.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | 73.2 | 108.4 | 149.8 | -63.8 | -141.6 | 109.2 | 0 | 0 | 126.8 | ||||
| 1754 | Q | 25.2 | Very low | 27.2 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | 46.1 | 114 | 119.8 | -54.4 | -164.4 | 66.3 | 0 | 0 | 124.4 | |||||
| 1755 | G | 28.9 | Very low | 27.5 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | 101 | 178.1 | 115.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1756 | K | 28.9 | Very low | 27.6 | Very low | 205 Ų | 205 | 134.8 Ų | 134.8 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | 70.8 | 155.5 | -179.8 | -88.6 | 174.2 | 175.2 | 172.1 | 0 | 116.5 | ||||
| 1757 | I | 25.5 | Very low | 27.8 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | cis | -132.3 | -140.3 | 32.4 | -157.9 | 164.1 | 0 | 0 | 0 | 115.4 | ||||
| 1758 | I | 26.1 | Very low | 28 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | trans | -161.5 | -174 | -164.3 | 29.1 | 168.1 | 0 | 0 | 0 | 111.9 | ||||
| 1759 | L | 26.9 | Very low | 28.3 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 104.3 | 150.9 | 167.2 | -54.8 | 171.1 | 0 | 0 | 0 | 115.8 | ||||
| 1760 | S | 28 | Very low | 28.8 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | cis | -175.8 | 155.2 | -22.2 | -95 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1761 | T | 26.9 | Very low | 29.1 | Very low | 121 Ų | 121 | 126 Ų | 126 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | 157.2 | 137.2 | 124.2 | 42.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1762 | N | 30 | Very low | 29.4 | Very low | 133 Ų | 133 | 127 Ų | 127 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 58 | 145 | 144.4 | -56.6 | -7.1 | 0 | 0 | 0 | 121.4 | ||||
| 1763 | N | 32.1 | Very low | 29.9 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -162.2 | 134.1 | -10.7 | -110.1 | -23 | 0 | 0 | 0 | 112.4 | ||||
| 1764 | S | 31.7 | Very low | 30.1 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | 33 | 158.3 | 124.6 | -57.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1765 | P | 35.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -148.8 | -179.6 | -32.5 | 42.2 | -23.8 | 0 | 0 | 0 | 117 | ||||
| 1766 | A | 27.9 | Very low | 30.4 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 84.6 | 139.6 | 139.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1767 | S | 33.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 116.5 | 95 | 140.5 | -155.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1768 | S | 33.5 | Very low | 30.7 | Very low | 119 Ų | 119 | 125.7 Ų | 125.7 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 63 | 127.7 | 124.8 | -40.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 1769 | G | 30.4 | Very low | 30.7 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 129.7 | 122.9 | 143.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1770 | P | 36.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 125 Ų | 125 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | -113 | 156.9 | 174.6 | 39.2 | -30.4 | 0 | 0 | 0 | 114.2 | ||||
| 1771 | G | 29.3 | Very low | 30.6 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 175 | 125.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1772 | T | 31.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -97.1 | 179.1 | 167.3 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1773 | P | 34.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -138.6 | -179.8 | 0.6 | 36.5 | -14.8 | 0 | 0 | 0 | 116.8 | ||||
| 1774 | T | 30.3 | Very low | 30.4 | Very low | 135 Ų | 135 | 129.3 Ų | 129.3 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | 48 | 115.5 | 146.9 | 51.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1775 | R | 32.2 | Very low | 30.2 | Very low | 207 Ų | 207 | 133 Ų | 133 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | -164.7 | 158 | 122.1 | 177.1 | 171.1 | 150.6 | 138.7 | -1.8 | 109.9 | E1777 | R1775-E1777 IonicContact CZ-OE1 3.41Å; R1775-E1777 IonicContact NE-OE1 2.7Å; R1775-E1777 IonicContact NH2-OE1 3.43Å; R1775-E1777 PolarHBondContact NH2-OE1 2.87Å | |||
| 1776 | D | 28.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -63.1 | 146.5 | 174.3 | -43.6 | -97.5 | 0 | 0 | 0 | 114.5 | ||||
| 1777 | E | 29.4 | Very low | 29.7 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | 173.6 | 162.1 | 133.8 | -92.4 | 156.3 | -134.9 | 0 | 0 | 110.5 | R1775 | R1775-E1777 IonicContact CZ-OE1 3.41Å; R1775-E1777 IonicContact NE-OE1 2.7Å; R1775-E1777 IonicContact NH2-OE1 3.43Å; R1775-E1777 PolarHBondContact NH2-OE1 2.87Å | ||
| 1778 | I | 31.4 | Very low | 29.4 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -111.5 | 119.4 | -172.9 | -59.1 | 172 | 0 | 0 | 0 | 112.1 | ||||
| 1779 | P | 25.6 | Very low | 29.2 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -131.2 | 144.9 | 137.1 | 31.8 | -17.8 | 0 | 0 | 0 | 110.4 | ||||
| 1780 | H | 24.5 | Very low | 29.1 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | cis | 50.8 | 69.8 | 41.7 | -93.7 | 80.5 | 0 | 0 | 0 | 113.7 | ||||
| 1781 | F | 27.5 | Very low | 28.8 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | trans | -148.6 | 144.9 | 153.4 | -111 | -73.7 | 0 | 0 | 0 | 112 | ||||
| 1782 | D | 25.2 | Very low | 28.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | -90.4 | 129.7 | -166.2 | -67.3 | -84.7 | 0 | 0 | 0 | 114.9 | ||||
| 1783 | T | 28.1 | Very low | 29 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 60.6 | -158.7 | 149.3 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1784 | P | 33.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | cis | -128 | 160.5 | -19.9 | 22.9 | 0.3 | 0 | 0 | 0 | 116.1 | ||||
| 1785 | F | 26.3 | Very low | 29 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 37.1 | 118.8 | 130.1 | -163.7 | -89 | 0 | 0 | 0 | 120.7 | ||||
| 1786 | M | 27.4 | Very low | 28.7 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 89% | 0.892 | 75% | 0.752 | S | S | * | * | trans | -177.1 | 148.8 | 136 | -103.8 | 173.5 | -138.3 | 0 | 0 | 109 | ||||
| 1787 | A | 26.5 | Very low | 28.5 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | cis | -146.9 | -178.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1788 | A | 27 | Very low | 28.3 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | cis | -146.4 | 146.5 | 4.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1789 | A | 28.3 | Very low | 28 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | 61.7 | 133.5 | 101.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1790 | M | 27.9 | Very low | 28 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | -160 | 156.4 | 60.2 | -83.3 | -178.3 | 64 | 0 | 0 | 113.8 | |||||
| 1791 | F | 30.5 | Very low | 28 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | 26.7 | 144.2 | 141.8 | -66.9 | -105.8 | 0 | 0 | 0 | 120.7 | ||||
| 1792 | A | 30.9 | Very low | 28 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | cis | -165.6 | -177.2 | -9.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1793 | Q | 34.5 | Very low | 28 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | cis | -158.9 | 166.8 | 24.1 | -173.8 | 169.2 | -26.3 | 0 | 0 | 109.9 | ||||
| 1794 | Q | 32.2 | Very low | 27.8 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | trans | -95 | 136.7 | -169.9 | 175.4 | 178.4 | 1.4 | 0 | 0 | 114 | ||||
| 1795 | Q | 31.5 | Very low | 27.5 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | 68.2 | 156.4 | 160.9 | -75.6 | 165.4 | -0.3 | 0 | 0 | 116.4 | ||||
| 1796 | Q | 26.4 | Very low | 27.3 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | cis | -154.8 | 167.9 | 11.7 | -137.6 | 165.7 | -7.1 | 0 | 0 | 113.4 | ||||
| 1797 | T | 25.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | 67.1 | 139 | 152.9 | 46.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1798 | S | 24.7 | Very low | 27.1 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | 70.5 | 86.6 | 140.1 | 62 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1799 | N | 25.8 | Very low | 27 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | 65.4 | 129.1 | 107.5 | -63.4 | -0.3 | 0 | 0 | 0 | 122.8 | |||||
| 1800 | M | 24.3 | Very low | 26.7 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 62% | 0.621 | 73% | 0.732 | S | S | * | * | trans | 85.7 | 123.8 | 146.8 | -76.6 | -174.6 | 171.2 | 0 | 0 | 120.6 | ||||
| 1801 | M | 25 | Very low | 26.6 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | 59.8 | 109 | 149.9 | -59.4 | 171.7 | 179.6 | 0 | 0 | 114.9 | ||||
| 1802 | T | 26.8 | Very low | 26.4 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | -166.1 | 165.9 | 53.8 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1803 | S | 24.7 | Very low | 26.3 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 76 | 147.6 | 149.3 | -159.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1804 | S | 25.4 | Very low | 25.9 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | 78 | 122.9 | 149.7 | -64.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1805 | R | 25.8 | Very low | 25.6 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | 82.7 | 126.2 | 129.9 | -75.5 | -173.4 | 155.7 | 125.6 | -2 | 122.3 | |||||
| 1806 | E | 22.4 | Very low | 25.4 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 35.8 | 125 | 115.6 | -51.8 | 174.4 | 103.5 | 0 | 0 | 120.1 | |||||
| 1807 | S | 25.2 | Very low | 25.4 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 96.3 | 145.2 | 134.5 | 82.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1808 | T | 25.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | trans | 81.1 | 110.4 | 159.1 | 55.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 1809 | V | 23.8 | Very low | 25.6 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 73% | 0.726 | S | S | * | * | 76.1 | 95.9 | 126.8 | -177.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1810 | S | 23.1 | Very low | 25.6 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | 62 | 140.1 | 121.3 | -49.1 | 0 | 0 | 0 | 0 | 125 | |||||
| 1811 | T | 26.6 | Very low | 25.5 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | 90.3 | 140.9 | 139.2 | 18.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1812 | V | 26.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | 96.1 | 97.3 | 144 | 163.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1813 | I | 27.7 | Very low | 25.4 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | 80.6 | 128.7 | 125.5 | -64.5 | 179.2 | 0 | 0 | 0 | 122.5 | |||||
| 1814 | D | 26.2 | Very low | 25.4 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | trans | 71 | 148.6 | 151.5 | -78.5 | -15 | 0 | 0 | 0 | 126.6 | ||||
| 1815 | N | 26.6 | Very low | 25.6 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | trans | 81.3 | 98.4 | 150.3 | -79.2 | -52.1 | 0 | 0 | 0 | 121.8 | ||||
| 1816 | Q | 27 | Very low | 25.5 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | 81.1 | 148.6 | 130.7 | -58.2 | 171 | 34.8 | 0 | 0 | 120.1 | ||||
| 1817 | F | 26.8 | Very low | 25.6 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 62 | 143 | 173.7 | -61.6 | -85.3 | 0 | 0 | 0 | 117.4 | ||||
| 1818 | Q | 25.9 | Very low | 25.5 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | cis | -175.5 | 173.2 | -33.6 | -120 | 179.8 | 28.8 | 0 | 0 | 106.5 | ||||
| 1819 | I | 27.5 | Very low | 25.6 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 73.4 | 100.2 | 173.5 | -51.5 | 155.9 | 0 | 0 | 0 | 113.1 | ||||
| 1820 | H | 25.7 | Very low | 25.5 | Very low | 156 Ų | 156 | 138.7 Ų | 138.7 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | cis | 97.4 | 130.7 | 29.7 | -64.7 | -65.3 | 0 | 0 | 0 | 116.2 | ||||
| 1821 | S | 22.7 | Very low | 25.6 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | 69.9 | 138.7 | 171.8 | 71.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1822 | F | 23.2 | Very low | 25.4 | Very low | 193 Ų | 193 | 134 Ų | 134 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | S | Bend | cis | -129.8 | 91.6 | 11.5 | -68.1 | -102.7 | 0 | 0 | 0 | 112.4 | ||
| 1823 | T | 25.8 | Very low | 25.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | -142.7 | 136 | 177.5 | 35.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1824 | S | 25.5 | Very low | 25.2 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | 47.8 | 119.5 | 163.9 | -57.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1825 | H | 29.4 | Very low | 25 | Very low | 203 Ų | 203 | 131 Ų | 131 | 94% | 0.94 | 70% | 0.703 | S | S | * | * | trans | -80.2 | 142 | -175.3 | -70.5 | -80.3 | 0 | 0 | 0 | 114.4 | ||||
| 1826 | S | 22.4 | Very low | 24.8 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -98.7 | 120.2 | 175.9 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1827 | I | 25.1 | Very low | 24.6 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | trans | 41.4 | 115.4 | 132.7 | -52.9 | 168.2 | 0 | 0 | 0 | 118.1 | P1829 | I1827-P1829 HydrophobicContact CG2-CG 4.25Š| ||
| 1828 | Q | 23.2 | Very low | 24.5 | Very low | 178 Ų | 178 | 124.2 Ų | 124.2 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | -128.2 | 147.5 | 114.8 | -81.1 | -150.3 | 1 | 0 | 0 | 110.9 | |||||
| 1829 | P | 27.7 | Very low | 24.3 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 63% | 0.63 | 67% | 0.674 | S | S | * | * | trans | -114.5 | -153.4 | -167.8 | 39.7 | -23.5 | 0 | 0 | 0 | 112.1 | I1827 | I1827-P1829 HydrophobicContact CG2-CG 4.25Š| ||
| 1830 | I | 21.9 | Very low | 24.1 | Very low | 171 Ų | 171 | 117.9 Ų | 117.9 | 88% | 0.877 | 67% | 0.669 | S | S | * | * | trans | 77.9 | 124 | -169.5 | -48 | 155.3 | 0 | 0 | 0 | 111.3 | ||||
| 1831 | G | 24 | Very low | 24 | Very low | 61 Ų | 61 | 114.8 Ų | 114.8 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | cis | 136.4 | 100.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1832 | S | 23.9 | Very low | 23.9 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 50% | 0.503 | 66% | 0.664 | S | S | . | * | trans | -170.5 | 100.2 | 166.8 | -85.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1833 | F | 23.6 | Very low | 24.1 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | trans | 62.6 | 139.5 | 143.6 | -53.2 | -66.4 | 0 | 0 | 0 | 121.3 | ||||
| 1834 | N | 24.4 | Very low | 24 | Very low | 116 Ų | 116 | 113.1 Ų | 113.1 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | cis | -167.2 | -174.7 | -23.8 | -132.4 | 37.8 | 0 | 0 | 0 | 112.2 | ||||
| 1835 | S | 23.8 | Very low | 23.9 | Very low | 52 Ų | 52 | 112.3 Ų | 112.3 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | trans | 68.1 | 95.3 | 163.7 | -56.6 | 0 | 0 | 0 | 0 | 115.3 | K576 | K576-S1835 WeakPolarHBondContact CE-O 3.49Å; K576-S1835 PolarHBondContact NZ-O 3Å | ||
| 1836 | I | 22 | Very low | 23.7 | Very low | 111 Ų | 111 | 106.3 Ų | 106.3 | 57% | 0.569 | 61% | 0.614 | S | S | * | * | 76.3 | 144 | 57.4 | -53.6 | 159.8 | 0 | 0 | 0 | 112.3 | |||||
| 1837 | S | 22.9 | Very low | 23.8 | Very low | 82 Ų | 82 | 106 Ų | 106 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | trans | 64.7 | 159.4 | 169.6 | 29.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1838 | S | 23.3 | Very low | 23.8 | Very low | 91 Ų | 91 | 104.8 Ų | 104.8 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | cis | -158.2 | 131.2 | -12.3 | -103.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1839 | Q | 22.5 | Very low | 23.8 | Very low | 62 Ų | 62 | 99.3 Ų | 99.3 | 29% | 0.29 | 58% | 0.577 | S | S | . | * | 90.9 | 141.2 | 70.6 | -71.7 | 173.7 | 110.3 | 0 | 0 | 114.3 | H1448 Q1449 I1450 | H1448-Q1839 WeakPolarHBondContact O-CG 3.35Å; Q1449-Q1839 VanDerWaalsContact CA-OE1 3.3Å; Q1449-Q1839 HydrophobicContact CB-CG 4.38Å; I1450-Q1839 HydrophobicContact CB-CB 3.96Å; I1450-Q1839 HydrophobicContact CB-CG 4.1Å; I1450-Q1839 HydrophobicContact CD1-CB 4.3Å; I1450-Q1839 HydrophobicContact CG1-CB 4.15Å; I1450-Q1839 HydrophobicContact CG1-CG 4.18Å; I1450-Q1839 VanDerWaalsContact N-CG 3.29Å | |||
| 1840 | S | 23 | Very low | 23.7 | Very low | 92 Ų | 92 | 99 Ų | 99 | 64% | 0.643 | 58% | 0.576 | S | S | * | * | trans | 65.4 | 123.1 | -166.5 | 17.7 | 0 | 0 | 0 | 0 | 114.4 | I1450 | I1450-S1840 PolarHBondContact O-N 3.13Š| ||
| 1841 | N | 23.1 | Very low | 23.8 | Very low | 91 Ų | 91 | 95.1 Ų | 95.1 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | cis | 84.9 | 124.8 | 42.2 | -75.1 | -4.8 | 0 | 0 | 0 | 113 | G1451 | G1451-N1841 PolarHBondContact N-ND2 3.35Å; G1451-N1841 PolarHBondContact N-OD1 3.41Å | ||
| 1842 | L | 22.3 | Very low | 23.9 | Very low | 149 Ų | 149 | 97.1 Ų | 97.1 | 78% | 0.78 | 57% | 0.569 | S | S | * | * | trans | 58.3 | 142.2 | 137.5 | -50.9 | 169.9 | 0 | 0 | 0 | 116.6 | ||||
| 1843 | H | 25.9 | Very low | 23.9 | Very low | 156 Ų | 156 | 97.8 Ų | 97.8 | 72% | 0.722 | 57% | 0.574 | S | S | * | * | cis | -166.2 | 168.3 | 32.7 | -157 | -138.6 | 0 | 0 | 0 | 110.7 | ||||
| 1844 | S | 24.2 | Very low | 23.9 | Very low | 69 Ų | 69 | 95.5 Ų | 95.5 | 48% | 0.483 | 57% | 0.573 | S | S | . | * | trans | 33.5 | 113.2 | 145.2 | 64 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1845 | S | 23.7 | Very low | 24 | Very low | 104 Ų | 104 | 96.3 Ų | 96.3 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | 84 | 176.5 | 97.5 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1846 | L | 24.1 | Very low | 24.2 | Very low | 77 Ų | 77 | 98.9 Ų | 98.9 | 40% | 0.403 | 59% | 0.592 | S | S | . | * | cis | -152.7 | 134.7 | 3.3 | -161.3 | 60.6 | 0 | 0 | 0 | 109.6 | Y757 | Y757-L1846 HydrophobicContact CD2-CD2 3.96Å; Y757-L1846 HydrophobicContact CE1-CD2 4.25Å; Y757-L1846 HydrophobicContact CE2-CD2 3.39Å | ||
| 1847 | L | 24.9 | Very low | 24.5 | Very low | 93 Ų | 93 | 95.7 Ų | 95.7 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | trans | 48.9 | 143.2 | 147.4 | -66.5 | 172.7 | 0 | 0 | 0 | 122.9 | ||||
| 1848 | Q | 25 | Very low | 24.7 | Very low | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | trans | 65.7 | 145.9 | 133.5 | -72.7 | 163.5 | -22.7 | 0 | 0 | 119.3 | T753 | T753-Q1848 WeakPolarHBondContact CA-O 3.49Š| ||
| 1849 | S | 24.2 | Very low | 24.9 | Very low | 63 Ų | 63 | 94.3 Ų | 94.3 | 44% | 0.441 | 56% | 0.563 | S | S | . | * | cis | -157.6 | 170 | -5.7 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1850 | S | 24.1 | Very low | 25 | Very low | 89 Ų | 89 | 99 Ų | 99 | 62% | 0.622 | 59% | 0.585 | S | S | * | * | 34.4 | 129.4 | 81.1 | -16.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1851 | S | 24.2 | Very low | 25.2 | Very low | 91 Ų | 91 | 100.2 Ų | 100.2 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | cis | -159.6 | 131.8 | 49.2 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1852 | S | 26.5 | Very low | 25.1 | Very low | 102 Ų | 102 | 100.6 Ų | 100.6 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | 52.9 | 110.6 | 89.3 | 84.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1853 | S | 23.4 | Very low | 25.1 | Very low | 86 Ų | 86 | 99 Ų | 99 | 60% | 0.601 | 60% | 0.597 | S | S | * | * | trans | -97.9 | 125.3 | 151.1 | -58 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1854 | V | 24.3 | Very low | 25 | Very low | 118 Ų | 118 | 100 Ų | 100 | 72% | 0.715 | 60% | 0.602 | S | S | * | * | 72.2 | 122.2 | 56.5 | 169.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 1855 | L | 25.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 106.4 Ų | 106.4 | 70% | 0.702 | 62% | 0.624 | S | S | * | * | cis | -155.7 | -144.5 | 0.9 | -110 | 176 | 0 | 0 | 0 | 106.4 | ||||
| 1856 | P | 29.8 | Very low | 24.8 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | cis | -112.6 | 151.3 | -29.7 | 10 | 14.9 | 0 | 0 | 0 | 111.7 | ||||
| 1857 | S | 28.3 | Very low | 24.7 | Very low | 45 Ų | 45 | 113.8 Ų | 113.8 | 32% | 0.315 | 65% | 0.647 | S | S | . | * | 58.8 | 109.8 | 58.8 | 62.8 | 0 | 0 | 0 | 0 | 115.4 | E766 S767 | E766-S1857 PolarHBondContact O-OG 3.48Å; S767-S1857 WeakPolarHBondContact CA-O 3.41Å | |||
| 1858 | L | 26.2 | Very low | 24.7 | Very low | 82 Ų | 82 | 115.6 Ų | 115.6 | 43% | 0.429 | 66% | 0.662 | S | S | . | * | trans | -159.8 | 133.5 | 177.2 | -115.6 | 166.4 | 0 | 0 | 0 | 114.7 | S767 D769 | S767-L1858 WeakPolarHBondContact OG-CA 3.48Å; D769-L1858 VanDerWaalsContact OD2-CD2 3.31Å; D769-L1858 WeakPolarHBondContact OD2-CD2 3.43Å | ||
| 1859 | S | 27.3 | Very low | 24.7 | Very low | 62 Ų | 62 | 114.4 Ų | 114.4 | 43% | 0.434 | 67% | 0.666 | S | S | . | * | trans | 54.7 | 109.9 | 155.8 | 40.9 | 0 | 0 | 0 | 0 | 121.5 | S767 | S767-S1859 PolarHBondContact OG-N 3.04Š| ||
| 1860 | E | 24.3 | Very low | 25 | Very low | 161 Ų | 161 | 117.1 Ų | 117.1 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | 45 | 156.1 | 105.4 | -65.9 | -172.2 | 136.3 | 0 | 0 | 122 | |||||
| 1861 | P | 28.4 | Very low | 25.4 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | cis | -130.8 | 169.7 | -12.1 | 38.7 | -22.8 | 0 | 0 | 0 | 115.3 | ||||
| 1862 | S | 20.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | -39.6 | 152.6 | 145.1 | -54.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1863 | V | 22.8 | Very low | 25.6 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 70% | 0.697 | 69% | 0.691 | S | S | * | * | S | Bend | 45.5 | 116 | 127.5 | -176.3 | 0 | 0 | 0 | 0 | 119.1 | |||
| 1864 | Q | 22.5 | Very low | 25.7 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | 68.4 | 105.4 | 154.1 | -65.6 | 167.3 | 25.8 | 0 | 0 | 119.9 | ||||
| 1865 | Q | 22.6 | Very low | 25.9 | Very low | 202 Ų | 202 | 123.2 Ų | 123.2 | 94% | 0.944 | 69% | 0.693 | S | S | * | * | -143.5 | 159.1 | 118.5 | -115 | 179.5 | 62.8 | 0 | 0 | 112.1 | |||||
| 1866 | K | 21.2 | Very low | 26.1 | Very low | 188 Ų | 188 | 124.6 Ų | 124.6 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | trans | -81.3 | 144.9 | -163.5 | -60.4 | 162.3 | -179.6 | 167.3 | 0 | 112.6 | ||||
| 1867 | N | 22.7 | Very low | 26.2 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | -179.5 | 132.4 | 114 | -90.4 | -24.9 | 0 | 0 | 0 | 115 | |||||
| 1868 | V | 24.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 130 Ų | 130 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | 56.1 | 135.4 | 134.8 | -177 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1869 | S | 25.3 | Very low | 26.8 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | cis | 178.1 | 124.4 | -49.1 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1870 | S | 31.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | 177 | 89.4 | 159.8 | -79.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1871 | I | 31.4 | Very low | 27.1 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | 53.7 | 142.9 | 60.3 | -11.6 | 164.9 | 0 | 0 | 0 | 113.3 | |||||
| 1872 | P | 31 | Very low | 27.4 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | -134.7 | 164.5 | 77.1 | 43.5 | -32.7 | 0 | 0 | 0 | 114.9 | |||||
| 1873 | S | 23.9 | Very low | 27.5 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | 28.5 | 138.3 | 140.5 | 71.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1874 | I | 26.2 | Very low | 27.7 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | cis | -173.3 | 158.1 | 20.1 | -127.7 | 168.3 | 0 | 0 | 0 | 109.1 | ||||
| 1875 | I | 27.7 | Very low | 27.9 | Very low | 124 Ų | 124 | 129 Ų | 129 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | 34.2 | 133.4 | 142.8 | -60.9 | 166 | 0 | 0 | 0 | 118.5 | ||||
| 1876 | E | 30 | Very low | 28.3 | Very low | 163 Ų | 163 | 125.6 Ų | 125.6 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | cis | -148.6 | 177.8 | 35 | -148.9 | 122.5 | -134.3 | 0 | 0 | 114.2 | ||||
| 1877 | T | 31.7 | Very low | 29.1 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | trans | -4.8 | 149.3 | 158.6 | 51.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1878 | K | 30.6 | Very low | 29.7 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | cis | -168.2 | 154.5 | -15.4 | -168.3 | -178.9 | -178 | -73.2 | 0 | 104.6 | D1880 | K1878-D1880 IonicContact NZ-OD1 2.67Å; K1878-D1880 PolarHBondContact NZ-OD1 2.83Å; K1878-D1880 IonicContact NZ-OD2 2.63Å; K1878-D1880 PolarHBondContact NZ-OD2 3.13Å | ||
| 1879 | P | 37 | Very low | 30.3 | Very low | 86 Ų | 86 | 122 Ų | 122 | 56% | 0.558 | 69% | 0.69 | S | S | * | * | trans | -62.6 | 177.9 | 156.5 | 34.3 | -39.3 | 0 | 0 | 0 | 109.3 | I1881 | P1879-I1881 HydrophobicContact CB-CD1 4.41Å; P1879-I1881 HydrophobicContact CB-CG1 4.22Å; P1879-I1881 HydrophobicContact CG-CD1 3.99Å; P1879-I1881 HydrophobicContact CG-CG1 4.36Å | ||
| 1880 | D | 29.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | -138.9 | 132.8 | 81.2 | -74 | -35.8 | 0 | 0 | 0 | 110.4 | K1878 | K1878-D1880 IonicContact NZ-OD1 2.67Å; K1878-D1880 PolarHBondContact NZ-OD1 2.83Å; K1878-D1880 IonicContact NZ-OD2 2.63Å; K1878-D1880 PolarHBondContact NZ-OD2 3.13Å | |||
| 1881 | I | 28.1 | Very low | 30.5 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | 76.9 | 130.5 | 65.1 | -84.2 | 170.8 | 0 | 0 | 0 | 110.8 | P1879 | P1879-I1881 HydrophobicContact CB-CD1 4.41Å; P1879-I1881 HydrophobicContact CB-CG1 4.22Å; P1879-I1881 HydrophobicContact CG-CD1 3.99Å; P1879-I1881 HydrophobicContact CG-CG1 4.36Å | |||
| 1882 | P | 35.6 | Very low | 30.4 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | -114.5 | -42.1 | -113.7 | 35.5 | -30.9 | 0 | 0 | 0 | 114 | |||||
| 1883 | D | 22.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | trans | 33.5 | 94.1 | 166.5 | -56.6 | -8.4 | 0 | 0 | 0 | 115.3 | ||||
| 1884 | D | 25.2 | Very low | 30.6 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | 101.6 | 176.6 | 74.8 | -94.8 | -9.8 | 0 | 0 | 0 | 108.4 | |||||
| 1885 | S | 27.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | 69.7 | 128.3 | 173.1 | 77.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1886 | D | 30.4 | Very low | 30.5 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | cis | -162.1 | 164.5 | -11 | -126.7 | -39.7 | 0 | 0 | 0 | 110.8 | ||||
| 1887 | M | 38.1 | Very low | 30.3 | Very low | 156 Ų | 156 | 123.9 Ų | 123.9 | 77% | 0.768 | 67% | 0.674 | S | S | * | * | trans | 59.6 | 110 | 152 | -61.2 | -76.9 | 170.9 | 0 | 0 | 117.9 | ||||
| 1888 | D | 36.8 | Very low | 29.9 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | 11.5 | 150.8 | 102.5 | -99.2 | -40 | 0 | 0 | 0 | 117.4 | |||||
| 1889 | P | 37.4 | Very low | 29.7 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | cis | -150.4 | 144.7 | 40.9 | 40.4 | -19.4 | 0 | 0 | 0 | 117.3 | ||||
| 1890 | T | 30 | Very low | 29 | Very low | 101 Ų | 101 | 128 Ų | 128 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | 65.9 | 174.1 | 133.4 | 69.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1891 | M | 29.6 | Very low | 28.7 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 64% | 0.635 | 71% | 0.705 | S | S | * | * | cis | -147.8 | 160.7 | -1.6 | -139.7 | 166 | -63.8 | 0 | 0 | 110.2 | ||||
| 1892 | E | 29.2 | Very low | 28.4 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 58.1 | 119.3 | 146.8 | -78.6 | 150 | -173.7 | 0 | 0 | 121 | ||||
| 1893 | D | 31 | Very low | 27.8 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | 84.8 | 139.6 | 125.9 | -68.7 | 13 | 0 | 0 | 0 | 122.4 | |||||
| 1894 | L | 28.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 61% | 0.613 | 72% | 0.715 | S | S | * | * | cis | -173.2 | 150.7 | -29.6 | -121.4 | -179.9 | 0 | 0 | 0 | 107.6 | ||||
| 1895 | F | 25.7 | Very low | 28 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | trans | 63.9 | 136.2 | 171 | -65.9 | -63.1 | 0 | 0 | 0 | 115.3 | ||||
| 1896 | E | 25.1 | Very low | 27.7 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | 69.8 | 122.3 | 53 | -162.2 | -177.9 | -82.9 | 0 | 0 | 110.6 | |||||
| 1897 | A | 27.4 | Very low | 27.5 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | cis | -159.1 | -162.3 | -6.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1898 | D | 22.1 | Very low | 26.7 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | 64.9 | 112.9 | 155.3 | -59.4 | -24.6 | 0 | 0 | 0 | 121.3 | Q1900 | D1898-Q1900 PolarHBondContact O-N 2.7Š| ||
| 1899 | C | 26.7 | Very low | 26.1 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | trans | 34.9 | 71.4 | 133.3 | -70.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1900 | Q | 23.5 | Very low | 25.5 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | trans | -117.1 | 122.2 | 163.5 | -67.5 | 172.1 | 28.2 | 0 | 0 | 108.7 | D1898 | D1898-Q1900 PolarHBondContact O-N 2.7Š| ||
| 1901 | Q | 23.3 | Very low | 25.5 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | 60.7 | 103.7 | 66.4 | -63.3 | -170.4 | 6.1 | 0 | 0 | 110.7 | |||||
| 1902 | Q | 21.1 | Very low | 25.5 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | 84.4 | 148.1 | 72.9 | -86.8 | -167.2 | -1.3 | 0 | 0 | 114 | |||||
| 1903 | Q | 23 | Very low | 25.3 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 96.9 | 154.9 | -67.3 | 167.6 | 49 | 0 | 0 | 119.3 | ||||
| 1904 | S | 23.7 | Very low | 25.1 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | S | Bend | -163.5 | 135.7 | 119.5 | 41 | 0 | 0 | 0 | 0 | 109.1 | |||
| 1905 | H | 28.4 | Very low | 24.9 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | cis | -123.7 | 171.3 | 4.2 | -76.4 | -85 | 0 | 0 | 0 | 112.5 | ||||
| 1906 | T | 21.5 | Very low | 25 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 61% | 0.607 | 75% | 0.745 | S | S | * | * | trans | -112.9 | -179.5 | -172.2 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1907 | N | 24.7 | Very low | 25 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | 83 | 138.5 | 169.8 | -48.9 | -6.9 | 0 | 0 | 0 | 114.6 | ||||
| 1908 | S | 22.4 | Very low | 24.9 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | cis | -172.5 | 167.6 | -9.2 | 48 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1909 | L | 24.8 | Very low | 25.4 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 72 | 98 | 162.3 | -64.8 | 159.7 | 0 | 0 | 0 | 117.3 | ||||
| 1910 | D | 24.8 | Very low | 25.6 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | 58.7 | 129 | 101.2 | -57.3 | -11.3 | 0 | 0 | 0 | 122.2 | |||||
| 1911 | E | 29.9 | Very low | 25.7 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | 88 | 73.1 | 135.5 | -130.5 | 167.3 | -174.6 | 0 | 0 | 121.2 | ||||
| 1912 | Y | 28.7 | Very low | 25.9 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | 57 | 73 | 144.6 | -63 | -82.2 | 0 | 0 | 0 | 119.2 | V1914 | Y1912-V1914 WeakPolarHBondContact O-CG2 3.43Š| ||
| 1913 | D | 25.9 | Very low | 26.1 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -76.6 | 140.4 | 150.1 | -86.4 | -42.3 | 0 | 0 | 0 | 110.5 | ||||
| 1914 | V | 25.4 | Very low | 26.3 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 58% | 0.576 | 74% | 0.739 | S | S | * | * | cis | 85.2 | 96.5 | 24.8 | -177.8 | 0 | 0 | 0 | 0 | 114.3 | Y1912 | Y1912-V1914 WeakPolarHBondContact O-CG2 3.43Š| ||
| 1915 | M | 24.1 | Very low | 26.3 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | 60.8 | 133.4 | 126.1 | -57.4 | -173.4 | -144.2 | 0 | 0 | 122.9 | |||||
| 1916 | N | 28.7 | Very low | 26.1 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | 29.7 | 119.1 | 122.6 | -45.7 | -49.4 | 0 | 0 | 0 | 120.1 | |||||
| 1917 | H | 26 | Very low | 26.2 | Very low | 186 Ų | 186 | 135.5 Ų | 135.5 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | trans | -159.5 | 137.2 | 138.9 | -85.3 | -52.3 | 0 | 0 | 0 | 107.6 | ||||
| 1918 | S | 25 | Very low | 26.3 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | cis | -163.5 | -176.1 | -3.2 | -74.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1919 | P | 32.4 | Very low | 26.5 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | cis | -127 | -166.4 | -10.7 | 38.9 | -19.2 | 0 | 0 | 0 | 112.3 | ||||
| 1920 | P | 29.8 | Very low | 26.8 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | -136.2 | 170.4 | -56.7 | 40.3 | -24.9 | 0 | 0 | 0 | 115.8 | |||||
| 1921 | Q | 26 | Very low | 26.9 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | trans | 77.9 | 137.2 | 139.8 | -85.5 | 171.7 | 15.7 | 0 | 0 | 123.9 | ||||
| 1922 | I | 26.9 | Very low | 26.8 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | trans | 68.2 | 125.7 | 137 | -68.4 | 168.9 | 0 | 0 | 0 | 117.3 | ||||
| 1923 | T | 25.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | cis | 163.8 | 153.3 | -18 | 33.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1924 | M | 26.7 | Very low | 26.9 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | 64.5 | 130.5 | 161.5 | -69.6 | 161.9 | 56 | 0 | 0 | 116.4 | ||||
| 1925 | D | 24.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | 74.7 | 145.6 | 53 | -167.5 | 33 | 0 | 0 | 0 | 113.8 | |||||
| 1926 | V | 24.8 | Very low | 27.3 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 52% | 0.515 | 73% | 0.729 | S | S | . | * | trans | 60.3 | 100.3 | -178.2 | -161.8 | 0 | 0 | 0 | 0 | 112.6 | Q1928 | V1926-Q1928 HydrophobicContact CG1-CG 4.4Š| ||
| 1927 | S | 24.2 | Very low | 27.2 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | 56.7 | 163.3 | 76.4 | -63.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1928 | Q | 26.8 | Very low | 27.4 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | 75.6 | 101.9 | 179.5 | -47.8 | -169.4 | 33.7 | 0 | 0 | 112.9 | V1926 | V1926-Q1928 HydrophobicContact CG1-CG 4.4Š| ||
| 1929 | Q | 26.9 | Very low | 27.4 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | 74.7 | 94.9 | 86.8 | -72 | 169 | 38.5 | 0 | 0 | 113.2 | |||||
| 1930 | L | 29.8 | Very low | 27 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 91% | 0.906 | 73% | 0.732 | S | S | * | * | trans | -179.8 | 59.4 | 139.7 | -97.2 | 168 | 0 | 0 | 0 | 106.6 | ||||
| 1931 | S | 26.8 | Very low | 26.7 | Very low | 68 Ų | 68 | 141.5 Ų | 141.5 | 48% | 0.476 | 74% | 0.739 | S | S | . | * | 67.6 | 123.8 | 65.4 | 103.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1932 | K | 28.8 | Very low | 26.6 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 70.3 | 142.8 | 160.4 | -51.7 | 161.9 | -171.5 | 168.4 | 0 | 113.1 | ||||
| 1933 | H | 30.3 | Very low | 26.3 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | cis | -163 | 165.5 | 8.9 | -138.3 | -136.3 | 0 | 0 | 0 | 110.1 | ||||
| 1934 | F | 26.4 | Very low | 26.2 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | 64.9 | 145.5 | 177 | -48.2 | -72.7 | 0 | 0 | 0 | 115.3 | ||||
| 1935 | K | 28.5 | Very low | 26.3 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | cis | 101.2 | 131.1 | 18.8 | -86.8 | -165 | 170.5 | -174.3 | 0 | 115.6 | ||||
| 1936 | S | 28.7 | Very low | 26.4 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | trans | 86.5 | 140.9 | 159.8 | -38.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1937 | K | 26.9 | Very low | 26.7 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 154.1 | 179.5 | -61.8 | 172.8 | 170.1 | -177.5 | 0 | 114.3 | ||
| 1938 | P | 29.7 | Very low | 26.8 | Very low | 114 Ų | 114 | 147 Ų | 147 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 132.1 | 137.1 | 34.1 | -27.1 | 0 | 0 | 0 | 110.8 | ||
| 1939 | S | 25.4 | Very low | 27.1 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | -92.6 | 128 | 128.9 | -83.4 | 0 | 0 | 0 | 0 | 105.6 | |||
| 1940 | L | 23.5 | Very low | 27 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 68.5 | 149.7 | 163.3 | -64.2 | 169.5 | 0 | 0 | 0 | 119.5 | ||
| 1941 | L | 23.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | 75.4 | 161.2 | 141.2 | -77.8 | 165.7 | 0 | 0 | 0 | 122 | ||||
| 1942 | L | 24.2 | Very low | 26.7 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -59.5 | 161.9 | -167.8 | -66.8 | 158.9 | 0 | 0 | 0 | 115.4 | ||||
| 1943 | Q | 22 | Very low | 26.6 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 0.7 | 137 | 133.3 | 176.8 | 170.5 | -20.1 | 0 | 0 | 118 | ||
| 1944 | E | 23.1 | Very low | 26.4 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 64% | 0.64 | 74% | 0.739 | S | S | * | * | trans | 77.8 | 115.9 | 172.6 | -68.3 | 154.9 | -144 | 0 | 0 | 115.3 | ||||
| 1945 | M | 27.4 | Very low | 26.3 | Very low | 152 Ų | 152 | 142 Ų | 142 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | 77.4 | 142.6 | 104.8 | -67.9 | 166.9 | 67.5 | 0 | 0 | 113.8 | |||||
| 1946 | E | 27.4 | Very low | 26.3 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | cis | -162 | 152.9 | -9.1 | -128.1 | -175.5 | 112.9 | 0 | 0 | 109.3 | ||||
| 1947 | N | 31.1 | Very low | 26.2 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | 63.9 | 161.2 | 152.7 | -55.3 | -32.1 | 0 | 0 | 0 | 123.6 | ||||
| 1948 | D | 26.2 | Very low | 26.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -77.2 | -171.2 | 171 | -64.6 | -74.2 | 0 | 0 | 0 | 112.7 | ||||
| 1949 | P | 33.7 | Very low | 26.5 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | -134.9 | -167.1 | -55 | 37.4 | -19.4 | 0 | 0 | 0 | 113.4 | |||||
| 1950 | L | 24.4 | Very low | 26.5 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 80.8 | 134.9 | 155 | -65.9 | 168.7 | 0 | 0 | 0 | 121.4 | ||||
| 1951 | D | 24.1 | Very low | 26.5 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | trans | 74.9 | 130.6 | 130.7 | -70.6 | -10.4 | 0 | 0 | 0 | 125.5 | ||||
| 1952 | F | 26 | Very low | 26.7 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | trans | 77.1 | 125.7 | 149.5 | -80.9 | -119.5 | 0 | 0 | 0 | 117.8 | ||||
| 1953 | E | 26.3 | Very low | 26.8 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | 67.5 | 141.9 | 92.6 | -85.9 | -178.2 | -168.3 | 0 | 0 | 114 | |||||
| 1954 | E | 25.6 | Very low | 27.1 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 66% | 0.659 | 72% | 0.716 | S | S | * | * | cis | -164.8 | 166.9 | -10.3 | -148.3 | -165.8 | 164.9 | 0 | 0 | 109 | ||||
| 1955 | N | 25.8 | Very low | 27.2 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | 65.1 | 163.3 | 150.5 | -76.7 | -38 | 0 | 0 | 0 | 124.5 | ||||
| 1956 | S | 27.5 | Very low | 27.2 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | 76.9 | 85.2 | 154.8 | 34.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1957 | D | 26.4 | Very low | 27.1 | Very low | 165 Ų | 165 | 137 Ų | 137 | 88% | 0.882 | 73% | 0.728 | S | S | * | * | 53.2 | 159.5 | 106.4 | -79.9 | -5.5 | 0 | 0 | 0 | 124.3 | |||||
| 1958 | P | 36.5 | Very low | 27 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -109.2 | 167.1 | -157.1 | 41.7 | -36 | 0 | 0 | 0 | 116.6 | ||||
| 1959 | I | 26.3 | Very low | 27 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 82% | 0.815 | 72% | 0.724 | S | S | * | * | trans | -172.5 | 122.1 | 155.2 | -100.9 | 147 | 0 | 0 | 0 | 106.5 | ||||
| 1960 | T | 25.6 | Very low | 26.8 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 73% | 0.727 | S | S | * | * | 89.6 | 131 | 60.5 | -64 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1961 | E | 23.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 58% | 0.584 | 73% | 0.729 | S | S | * | * | trans | 68 | 116.3 | 162.9 | -89.8 | -177.3 | -116.6 | 0 | 0 | 122.1 | ||||
| 1962 | R | 28.5 | Very low | 27.1 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 75% | 0.751 | 73% | 0.727 | S | S | * | * | 162.4 | 121.9 | 107.5 | -92.1 | 133.9 | -157.3 | 177.9 | 9.5 | 110.6 | |||||
| 1963 | N | 25.2 | Very low | 27.1 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 94 | 151.5 | 66.9 | -75.5 | -3.4 | 0 | 0 | 0 | 112.6 | |||||
| 1964 | A | 29.2 | Very low | 27.1 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 81.9 | 101.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1965 | T | 23.9 | Very low | 27.1 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | cis | 67.4 | 65.6 | 15.4 | -33.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1966 | Y | 27.8 | Very low | 27.2 | Very low | 210 Ų | 210 | 132 Ų | 132 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -145.7 | 123.4 | 148.1 | -91.7 | -72.3 | 0 | 0 | 0 | 106.6 | ||||
| 1967 | S | 25.6 | Very low | 27.1 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | 50.4 | 130.5 | 102.3 | 86.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1968 | S | 28.1 | Very low | 27.1 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | -163.3 | 147 | 19.3 | 49.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1969 | S | 26.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | -65.5 | 145.7 | 150.8 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1970 | P | 30.5 | Very low | 26.6 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | -104.7 | 142.5 | 105.6 | -18.4 | 34 | 0 | 0 | 0 | 111.7 | |||||
| 1971 | Q | 26 | Very low | 26.6 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | cis | 71.1 | 144.1 | 29.4 | -159.4 | -173.3 | 42.7 | 0 | 0 | 112.7 | ||||
| 1972 | T | 27.5 | Very low | 26.8 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | trans | 77.9 | 126.8 | 175.4 | -44.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1973 | R | 26.5 | Very low | 26.8 | Very low | 195 Ų | 195 | 125.4 Ų | 125.4 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | cis | -155 | 147.7 | -10.5 | -103.1 | 168.6 | -167.9 | 159.4 | 3.8 | 104.9 | ||||
| 1974 | Q | 25.9 | Very low | 27 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | cis | 70.2 | 137.3 | 45.4 | -155.8 | -176.8 | 29.8 | 0 | 0 | 113.2 | ||||
| 1975 | F | 25.6 | Very low | 27.1 | Very low | 157 Ų | 157 | 124.2 Ų | 124.2 | 69% | 0.689 | 73% | 0.729 | S | S | * | * | trans | 67.8 | 148.6 | -175.6 | -44.2 | -79.6 | 0 | 0 | 0 | 114.9 | ||||
| 1976 | G | 27.5 | Very low | 27.6 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | cis | -120.5 | 163.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1977 | C | 25.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | cis | 69.2 | 133.9 | 40.7 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1978 | T | 26.4 | Very low | 27.9 | Very low | 147 Ų | 147 | 121 Ų | 121 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | 64.8 | 128.5 | -174 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1979 | G | 26.7 | Very low | 27.8 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | cis | 100.9 | 156.9 | 7.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1980 | K | 25.5 | Very low | 27.9 | Very low | 209 Ų | 209 | 125.7 Ų | 125.7 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | 69.9 | 152.3 | -160.1 | -62.4 | -177.7 | 176.8 | -176.8 | 0 | 113.4 | ||||
| 1981 | S | 26 | Very low | 27.9 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 57% | 0.566 | 72% | 0.72 | S | S | * | * | cis | -167.7 | 173.8 | -24.5 | 48.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1982 | D | 28.1 | Very low | 27.9 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | 66.9 | 127.3 | 160.3 | -41.2 | -47.3 | 0 | 0 | 0 | 116.5 | ||||
| 1983 | G | 29.4 | Very low | 28 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | cis | 166.5 | -178.4 | -0 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1984 | G | 29.3 | Very low | 28.1 | Very low | 60 Ų | 60 | 122.2 Ų | 122.2 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 88.2 | 136.4 | -170 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1985 | D | 30.3 | Very low | 28.2 | Very low | 136 Ų | 136 | 121.8 Ų | 121.8 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | 58.6 | 122.1 | 41 | -45.3 | -55 | 0 | 0 | 0 | 110.4 | ||||
| 1986 | D | 34 | Very low | 28.4 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | cis | -105.6 | 135 | 17 | -77.7 | -55.3 | 0 | 0 | 0 | 113.7 | ||||
| 1987 | N | 32 | Very low | 28.5 | Very low | 94 Ų | 94 | 123 Ų | 123 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | 66.2 | 114.9 | 77.1 | -66.9 | -57.7 | 0 | 0 | 0 | 112 | |||||
| 1988 | N | 27.2 | Very low | 28.7 | Very low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 66.8 | 128.8 | 70.6 | -67 | -41.8 | 0 | 0 | 0 | 111.7 | |||||
| 1989 | D | 26.5 | Very low | 28.9 | Very low | 152 Ų | 152 | 124.1 Ų | 124.1 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | 61.7 | 128.8 | 179.4 | -49.4 | -42.2 | 0 | 0 | 0 | 113.5 | ||||
| 1990 | I | 28.9 | Very low | 29.1 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | -158.3 | 126.3 | 76.9 | -96.5 | 163.6 | 0 | 0 | 0 | 109.7 | |||||
| 1991 | T | 31.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 124 Ų | 124 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | trans | 53 | 115.1 | 133.1 | -34.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1992 | A | 25.7 | Very low | 29.4 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 63% | 0.628 | 70% | 0.697 | S | S | * | * | 59.1 | 153.4 | 64.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1993 | P | 30.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 69% | 0.693 | S | S | * | * | cis | -109.2 | -175.9 | 17.8 | 35.2 | -14.5 | 0 | 0 | 0 | 111.3 | ||||
| 1994 | Y | 26.6 | Very low | 29.4 | Very low | 197 Ų | 197 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | cis | 57.2 | 152 | 36.6 | -69.8 | -76.8 | 0 | 0 | 0 | 112 | ||||
| 1995 | D | 27.9 | Very low | 29.3 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | cis | -103.7 | 166.6 | -39.1 | -70.7 | -81.6 | 0 | 0 | 0 | 107 | ||||
| 1996 | D | 30.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | 167.4 | 150.8 | 85.7 | -93.1 | -33.3 | 0 | 0 | 0 | 106.5 | |||||
| 1997 | N | 29.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | cis | -160.8 | 150.8 | -16.6 | -134.2 | -33 | 0 | 0 | 0 | 110.3 | ||||
| 1998 | H | 30.7 | Very low | 29 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | trans | 55.8 | 155.5 | 158.4 | -63.4 | -20.1 | 0 | 0 | 0 | 120.7 | ||||
| 1999 | M | 30.6 | Very low | 29.3 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 64% | 0.635 | 72% | 0.716 | S | S | * | * | cis | -144 | 139.3 | -26.1 | -93.4 | -106.6 | -173.9 | 0 | 0 | 105.4 | ||||
| 2000 | N | 30.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | cis | 100.1 | 133.3 | 33.3 | -173.3 | 24.9 | 0 | 0 | 0 | 112.7 | ||||
| 2001 | K | 28.6 | Very low | 29.8 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | trans | 73.3 | 138.2 | 179.3 | -57.3 | 155.4 | -170.8 | 168.4 | 0 | 116.5 | Y2003 | K2001-Y2003 HydrophobicContact CB-CE2 4.33Å; K2001-Y2003 HydrophobicContact CG-CE2 4.24Å | ||
| 2002 | G | 29 | Very low | 29.9 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | cis | 159.2 | -177.8 | -12.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2003 | Y | 29.9 | Very low | 30 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | trans | 73.2 | 126.6 | 166.6 | -54.6 | -72.5 | 0 | 0 | 0 | 115.5 | K2001 | K2001-Y2003 HydrophobicContact CB-CE2 4.33Å; K2001-Y2003 HydrophobicContact CG-CE2 4.24Å | ||
| 2004 | C | 26.6 | Very low | 29.8 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | 74.8 | 152.9 | 54.1 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2005 | Y | 28.2 | Very low | 30 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | cis | -155.1 | 161.4 | 11.2 | -119.8 | -48.6 | 0 | 0 | 0 | 109.1 | ||||
| 2006 | D | 29.5 | Very low | 29.8 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 59.5 | 169.7 | 154.2 | -48.8 | -31.8 | 0 | 0 | 0 | 117.9 | ||||
| 2007 | D | 32.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | cis | -142.1 | 167.5 | 1.2 | -156.9 | -5.3 | 0 | 0 | 0 | 110.8 | ||||
| 2008 | D | 28.6 | Very low | 29.5 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | -69.7 | 144 | 175 | -82.2 | -57.5 | 0 | 0 | 0 | 112.4 | ||||
| 2009 | G | 32.9 | Very low | 29.5 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -147.6 | 116.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 2010 | E | 28.8 | Very low | 29.3 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -68.1 | 155.5 | -175 | -78.1 | -167.2 | 113.9 | 0 | 0 | 115.4 | ||||
| 2011 | P | 37.2 | Very low | 29 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | -88.8 | 147.7 | 177.2 | 35.6 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 2012 | P | 32.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -102.9 | 107.7 | 149.8 | 32.3 | -23.2 | 0 | 0 | 0 | 109.1 | ||||
| 2013 | I | 29.1 | Very low | 29.1 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | 61.6 | 106.1 | 71 | -56.3 | 171.7 | 0 | 0 | 0 | 112.6 | |||||
| 2014 | L | 26.5 | Very low | 29.2 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 23.2 | 136.4 | 140.9 | -58.4 | 177.5 | 0 | 0 | 0 | 118.9 | ||||
| 2015 | P | 29.6 | Very low | 29.3 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | -138.8 | 174.1 | 55.5 | 43.4 | -26.2 | 0 | 0 | 0 | 112.8 | |||||
| 2016 | A | 24.9 | Very low | 29.3 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | cis | 64.5 | 135 | 41.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2017 | S | 29.8 | Very low | 29.2 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 60.5 | 136.2 | -165.3 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2018 | R | 24.3 | Very low | 29.1 | Very low | 233 Ų | 233 | 137.8 Ų | 137.8 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | cis | 80.4 | 83.7 | 23.5 | -162.1 | -164.7 | -161.4 | 177.7 | 8.3 | 114.4 | ||||
| 2019 | I | 29.6 | Very low | 29 | Very low | 154 Ų | 154 | 138 Ų | 138 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -177.8 | 147.5 | 160.6 | -95.9 | 145.8 | 0 | 0 | 0 | 105.9 | ||||
| 2020 | D | 26.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 140 Ų | 140 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | -163.9 | 151.3 | -41.6 | -106.9 | -42.6 | 0 | 0 | 0 | 108.6 | ||||
| 2021 | S | 25.3 | Very low | 28.6 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | 63.8 | 168.7 | 165.3 | 72.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2022 | V | 29.3 | Very low | 28 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | cis | -137.5 | 120.6 | 21.5 | 175 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2023 | T | 29.5 | Very low | 27.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | 31.1 | 120.7 | 156.9 | 65.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2024 | S | 31.2 | Very low | 27.5 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | 176.9 | 152.1 | 79.2 | -77.2 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 2025 | L | 28.5 | Very low | 27.4 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | cis | -168.9 | 130.8 | -8.8 | 170.4 | 72.1 | 0 | 0 | 0 | 109 | ||||
| 2026 | K | 29.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | 68 | 147.1 | 163 | -81.3 | 169.6 | -172 | 168.2 | 0 | 117.5 | ||||
| 2027 | R | 27.2 | Very low | 27.4 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | cis | -162.8 | 134.6 | -7.1 | -166.5 | 167.4 | -167.2 | 169.6 | 2.9 | 111.4 | ||||
| 2028 | W | 29.9 | Very low | 27.3 | Very low | 199 Ų | 199 | 148.3 Ų | 148.3 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 42.2 | 124.8 | 151.1 | -49.7 | -1.8 | 0 | 0 | 0 | 117.7 | ||||
| 2029 | H | 26.2 | Very low | 27.6 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | cis | 64.2 | 153.3 | 39 | -135.8 | -85.3 | 0 | 0 | 0 | 114.3 | ||||
| 2030 | D | 26.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 75.5 | 149.6 | 171.2 | -54.8 | -20.7 | 0 | 0 | 0 | 117.2 | ||||
| 2031 | T | 25.9 | Very low | 27.4 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 60% | 0.601 | 75% | 0.749 | S | S | * | * | cis | -169.7 | 156 | -16.7 | -98.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2032 | E | 25.5 | Very low | 27.5 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 55.7 | 147.6 | 158.7 | -80 | 151.3 | -162.1 | 0 | 0 | 124.4 | ||||
| 2033 | L | 23.6 | Very low | 27.4 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -70.7 | 112.6 | 151 | -75.9 | 161 | 0 | 0 | 0 | 109.7 | E2035 | L2033-E2035 PolarHBondContact O-N 2.94Š| ||
| 2034 | G | 27.6 | Very low | 27.3 | Very low | 76 Ų | 76 | 143.6 Ų | 143.6 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -76.8 | 101.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2035 | E | 24.2 | Very low | 27.2 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | trans | 42.1 | 139.8 | 150.8 | -53.4 | -168.8 | 114 | 0 | 0 | 119.2 | L2033 | L2033-E2035 PolarHBondContact O-N 2.94Š| ||
| 2036 | V | 30.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | -147.2 | 149.1 | 50.7 | -177 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2037 | R | 23.6 | Very low | 27.4 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -38.8 | 172.3 | 160.1 | -90.8 | 178.1 | 171.6 | 164.7 | -2.6 | 116.5 | ||||
| 2038 | P | 29.3 | Very low | 27.5 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | cis | -138.4 | -172.5 | 17.9 | 35.5 | -12.9 | 0 | 0 | 0 | 116.6 | ||||
| 2039 | T | 30 | Very low | 27.4 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | 49.2 | 111.1 | 150.2 | 49.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 2040 | S | 26.1 | Very low | 27.5 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | 79.1 | 118.3 | 54.5 | 77.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 2041 | E | 25 | Very low | 27.5 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | 66.7 | 155.1 | 149.7 | -63 | 164.5 | 143.9 | 0 | 0 | 118.5 | ||||
| 2042 | D | 27.5 | Very low | 27.7 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | 62.1 | 154.8 | 158.5 | -71.6 | -1 | 0 | 0 | 0 | 119.5 | ||||
| 2043 | L | 27.6 | Very low | 28 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | -149 | 127 | -18.7 | -101.1 | 155.8 | 0 | 0 | 0 | 103.9 | ||||
| 2044 | N | 27.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | 73.2 | 141.3 | 86.5 | -166.8 | 17.3 | 0 | 0 | 0 | 115.6 | |||||
| 2045 | N | 29.2 | Very low | 28.4 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | trans | 72.7 | 151.6 | 175 | -42.3 | -78 | 0 | 0 | 0 | 115.9 | ||||
| 2046 | K | 33.6 | Very low | 28.6 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | cis | -130.5 | 130.1 | 14.8 | -71.8 | 179.2 | 175.9 | -179.8 | 0 | 111.2 | ||||
| 2047 | Q | 29 | Very low | 28.7 | Very low | 136 Ų | 136 | 136 Ų | 136 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | 60.3 | 130.9 | 103.6 | -55.5 | 168.7 | -66.9 | 0 | 0 | 114 | |||||
| 2048 | F | 28.6 | Very low | 28.9 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | cis | -118 | 147.3 | 18.8 | -88.9 | -113.6 | 0 | 0 | 0 | 111.7 | ||||
| 2049 | N | 27.7 | Very low | 29 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | 60.6 | 131.9 | 72 | -85.8 | 8 | 0 | 0 | 0 | 112.6 | |||||
| 2050 | I | 29.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | cis | -146.9 | 167.1 | 24.6 | -109.5 | 143.9 | 0 | 0 | 0 | 113 | ||||
| 2051 | L | 26.7 | Very low | 29.1 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | -50.5 | 170.9 | 174.6 | -46.5 | 82.5 | 0 | 0 | 0 | 114.3 | ||||
| 2052 | A | 30.4 | Very low | 29.2 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | cis | -162 | -167.2 | 22.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2053 | D | 30.3 | Very low | 29.2 | Very low | 125 Ų | 125 | 135 Ų | 135 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | -165.4 | 170.6 | -66.8 | -77.9 | -41.4 | 0 | 0 | 0 | 108.5 | |||||
| 2054 | E | 29 | Very low | 29.2 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 91% | 0.911 | 71% | 0.71 | S | S | * | * | trans | 61.4 | 121.8 | 174.7 | -55.7 | -169.9 | 164.9 | 0 | 0 | 117.1 | ||||
| 2055 | G | 30.6 | Very low | 29.2 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 123 | 159.7 | 66 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 2056 | N | 30.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | cis | -161 | 145.8 | -0.5 | -100 | -22.6 | 0 | 0 | 0 | 109.9 | ||||
| 2057 | H | 31 | Very low | 28.8 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | 62.1 | 159.4 | 151.8 | -72.5 | -120.5 | 0 | 0 | 0 | 118.2 | ||||
| 2058 | E | 28.5 | Very low | 28.7 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | cis | -156.7 | 136.3 | 7.5 | -148.5 | 143.9 | -126.7 | 0 | 0 | 113.7 | ||||
| 2059 | T | 31.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | 55.2 | 163.7 | 148.6 | 58.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 2060 | S | 27.7 | Very low | 28.8 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | cis | -173.9 | 168.1 | -35.3 | -88.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2061 | K | 30.4 | Very low | 28.8 | Very low | 179 Ų | 179 | 124.5 Ų | 124.5 | 78% | 0.778 | 73% | 0.727 | S | S | * | * | trans | 82.3 | 154.5 | 171.5 | -53.3 | 175.8 | -177 | 175.7 | 0 | 116.8 | ||||
| 2062 | S | 27.7 | Very low | 29.1 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 57% | 0.573 | 73% | 0.732 | S | S | * | * | 179.9 | 161 | -60.2 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 2063 | F | 27.2 | Very low | 29 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | 71 | 140.1 | -179.9 | -79.8 | -116.5 | 0 | 0 | 0 | 115 | ||||
| 2064 | S | 27.2 | Very low | 29.2 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | -165.9 | 148.3 | -6.3 | 44.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2065 | V | 27.4 | Very low | 29.3 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | 59 | 115.5 | 147.6 | 171.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2066 | T | 26.8 | Very low | 29.4 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | -138 | -123.3 | -10.9 | 24.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 2067 | T | 28.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | cis | -153.8 | 151.4 | -4.5 | -41.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2068 | T | 26.8 | Very low | 29.7 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -83.8 | 146.6 | -179.2 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2069 | S | 27.5 | Very low | 30.3 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | cis | -161.6 | -162.6 | 0.2 | 57.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 2070 | S | 31.1 | Very low | 31 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | cis | -154.9 | 177.6 | 15.4 | -101.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2071 | S | 29.5 | Very low | 32.3 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | -131.1 | 144 | 174.8 | 91.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2072 | S | 31.8 | Very low | 33.9 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | 91.9 | 136.3 | 57.3 | 101.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 2073 | R | 30.1 | Very low | 35.2 | Very low | 242 Ų | 242 | 133.5 Ų | 133.5 | 91% | 0.913 | 73% | 0.731 | S | S | * | * | trans | -153 | 136 | 165 | -153.3 | 168.4 | -167.4 | -149.2 | 2.3 | 109.6 | ||||
| 2074 | P | 33.6 | Very low | 36.9 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 161.3 | -158.5 | 34.9 | -37.5 | 0 | 0 | 0 | 115.6 | ||
| 2075 | K | 31.8 | Very low | 39.1 | Very low | 203 Ų | 203 | 126.1 Ų | 126.1 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -87 | 143.8 | 168.1 | -73 | -179.4 | 177.4 | 175.4 | 0 | 111.1 | ||
| 2076 | R | 31.4 | Very low | 41.2 | Very low | 232 Ų | 232 | 123.1 Ų | 123.1 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 153.8 | 174.3 | -70.2 | -179 | 176.4 | -177.5 | -2.2 | 111.5 | ||
| 2077 | P | 34.1 | Very low | 43.3 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 84% | 0.844 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 136.6 | 170.4 | 26.9 | -34.9 | 0 | 0 | 0 | 110.8 | ||
| 2078 | V | 34.9 | Very low | 45.6 | Very low | 103 Ų | 103 | 122 Ų | 122 | 62% | 0.624 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 121.5 | 177.1 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | V2080 L2083 | V2078-V2080 PolarHBondContact O-N 3.44Å; V2078-V2080 VanDerWaalsContact O-N 3.13Å; V2078-L2083 HydrophobicContact CB-CD1 4.5Å; V2078-L2083 HydrophobicContact CG1-CD1 3.66Å; V2078-L2083 HydrophobicContact CG1-CG 3.94Å |
| 2079 | N | 39.9 | Very low | 48.1 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | trans | -64.4 | 113.1 | 176.5 | -176.5 | -24.6 | 0 | 0 | 0 | 109.6 | N2081 K2082 L2083 | N2079-N2081 PolarHBondContact O-N 2.93Å; N2079-N2081 WeakPolarHBondContact OD1-CB 3.41Å; N2079-N2081 PolarHBondContact OD1-N 2.77Å; N2079-K2082 HydrophobicContact CB-CB 4.3Å; N2079-K2082 WeakPolarHBondContact O-CA 3.35Å; N2079-K2082 WeakPolarHBondContact O-CB 3.21Å; N2079-K2082 PolarHBondContact O-N 3.43Å; N2079-L2083 PolarHBondContact O-N 3.04Å | ||
| 2080 | V | 45.9 | Very low | 50.2 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.1 | -35.6 | -176.2 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | V2078 K2082 L2083 E2084 | V2078-V2080 PolarHBondContact O-N 3.44Å; V2078-V2080 VanDerWaalsContact O-N 3.13Å; V2080-K2082 PolarHBondContact O-N 3.46Å; V2080-L2083 PolarHBondContact O-N 2.98Å; V2080-L2083 VanDerWaalsContact O-N 3.14Å; V2080-E2084 PolarHBondContact O-N 3.37Å |
| 2081 | N | 55.8 | Low | 52.3 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 70% | 0.695 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.3 | -28.4 | 176.9 | -59.2 | -11.9 | 0 | 0 | 0 | 111.9 | N2079 A2085 | N2079-N2081 PolarHBondContact O-N 2.93Å; N2079-N2081 WeakPolarHBondContact OD1-CB 3.41Å; N2079-N2081 PolarHBondContact OD1-N 2.77Å; N2081-A2085 VanDerWaalsContact O-CB 3.28Å; N2081-A2085 WeakPolarHBondContact O-CB 3.49Å; N2081-A2085 PolarHBondContact O-N 3.2Å |
| 2082 | K | 64.4 | Low | 54.7 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 59% | 0.587 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.3 | -39.2 | 173 | -170.5 | 175.1 | 179.5 | -178.4 | 0 | 111.7 | N2079 V2080 E2084 A2085 D2086 | N2079-K2082 HydrophobicContact CB-CB 4.3Å; N2079-K2082 WeakPolarHBondContact O-CA 3.35Å; N2079-K2082 WeakPolarHBondContact O-CB 3.21Å; N2079-K2082 PolarHBondContact O-N 3.43Å; V2080-K2082 PolarHBondContact O-N 3.46Å; K2082-E2084 VanDerWaalsContact C-N 3.32Å; K2082-E2084 PolarHBondContact O-N 3.41Å; K2082-A2085 PolarHBondContact O-N 3.33Å; K2082-D2086 WeakPolarHBondContact O-CB 3.38Å; K2082-D2086 PolarHBondContact O-N 2.9Å |
| 2083 | L | 54.2 | Low | 56.9 | Low | 104 Ų | 104 | 123.9 Ų | 123.9 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.4 | -42.8 | 172.5 | -101.8 | 169.6 | 0 | 0 | 0 | 111.5 | V2078 N2079 V2080 D2086 R2087 | V2078-L2083 HydrophobicContact CB-CD1 4.5Å; V2078-L2083 HydrophobicContact CG1-CD1 3.66Å; V2078-L2083 HydrophobicContact CG1-CG 3.94Å; N2079-L2083 PolarHBondContact O-N 3.04Å; V2080-L2083 PolarHBondContact O-N 2.98Å; V2080-L2083 VanDerWaalsContact O-N 3.14Å; L2083-D2086 PolarHBondContact O-N 2.72Å; L2083-R2087 VanDerWaalsContact O-CB 3.27Å; L2083-R2087 WeakPolarHBondContact O-CB 3.22Å; L2083-R2087 PolarHBondContact O-N 2.76Å |
| 2084 | E | 63 | Low | 59 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 37% | 0.369 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71 | -31.8 | 177.2 | -166.9 | 57.8 | -153.4 | 0 | 0 | 112.4 | V2080 K2082 R2087 K2088 | V2080-E2084 PolarHBondContact O-N 3.37Å; K2082-E2084 VanDerWaalsContact C-N 3.32Å; K2082-E2084 PolarHBondContact O-N 3.41Å; E2084-R2087 VanDerWaalsContact CD-NE 3.34Å; E2084-R2087 IonicContact OE1-CZ 3.16Å; E2084-R2087 VanDerWaalsContact OE1-CZ 3.29Å; E2084-R2087 IonicContact OE1-NE 3.44Å; E2084-R2087 PolarHBondContact OE1-NE 2.96Å; E2084-R2087 IonicContact OE1-NH2 3.42Å; E2084-R2087 PolarHBondContact OE1-NH2 3.11Å; E2084-R2087 IonicContact OE2-CZ 2.81Å; E2084-R2087 IonicContact OE2-NE 2.68Å; E2084-R2087 PolarHBondContact OE2-NE 2.92Å; E2084-K2088 WeakPolarHBondContact O-CB 3.41Å; E2084-K2088 WeakPolarHBondContact O-CG 3.36Å; E2084-K2088 PolarHBondContact O-N 3.23Å |
| 2085 | A | 73.8 | Confident | 61.1 | Low | 53 Ų | 53 | 112.7 Ų | 112.7 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.4 | -45.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N2081 K2082 R2087 K2088 R2089 | N2081-A2085 VanDerWaalsContact O-CB 3.28Å; N2081-A2085 WeakPolarHBondContact O-CB 3.49Å; N2081-A2085 PolarHBondContact O-N 3.2Å; K2082-A2085 PolarHBondContact O-N 3.33Å; A2085-R2087 VanDerWaalsContact C-N 3.31Å; A2085-R2087 PolarHBondContact O-N 2.74Å; A2085-K2088 PolarHBondContact O-N 3.4Å; A2085-R2089 VanDerWaalsContact O-CB 3.31Å; A2085-R2089 WeakPolarHBondContact O-CB 3.47Å; A2085-R2089 PolarHBondContact O-N 3.33Å |
| 2086 | D | 70.3 | Confident | 63.5 | Low | 69 Ų | 69 | 110.1 Ų | 110.1 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -32.1 | 175.4 | -72.9 | -34.9 | 0 | 0 | 0 | 110.9 | K2082 L2083 R2089 L2090 | K2082-D2086 WeakPolarHBondContact O-CB 3.38Å; K2082-D2086 PolarHBondContact O-N 2.9Å; L2083-D2086 PolarHBondContact O-N 2.72Å; D2086-R2089 PolarHBondContact O-N 3.43Å; D2086-L2090 WeakPolarHBondContact O-CB 3.46Å; D2086-L2090 WeakPolarHBondContact O-CG 3.39Å; D2086-L2090 PolarHBondContact O-N 2.99Å |
| 2087 | R | 72.3 | Confident | 65.8 | Low | 93 Ų | 93 | 106.2 Ų | 106.2 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -50.5 | 171.7 | -161 | -176.4 | 79.5 | 65.3 | 15.8 | 111.5 | L2083 E2084 A2085 R2089 L2090 E2091 | L2083-R2087 VanDerWaalsContact O-CB 3.27Å; L2083-R2087 WeakPolarHBondContact O-CB 3.22Å; L2083-R2087 PolarHBondContact O-N 2.76Å; E2084-R2087 VanDerWaalsContact CD-NE 3.34Å; E2084-R2087 IonicContact OE1-CZ 3.16Å; E2084-R2087 VanDerWaalsContact OE1-CZ 3.29Å; E2084-R2087 IonicContact OE1-NE 3.44Å; E2084-R2087 PolarHBondContact OE1-NE 2.96Å; E2084-R2087 IonicContact OE1-NH2 3.42Å; E2084-R2087 PolarHBondContact OE1-NH2 3.11Å; E2084-R2087 IonicContact OE2-CZ 2.81Å; E2084-R2087 IonicContact OE2-NE 2.68Å; E2084-R2087 PolarHBondContact OE2-NE 2.92Å; A2085-R2087 VanDerWaalsContact C-N 3.31Å; A2085-R2087 PolarHBondContact O-N 2.74Å; R2087-R2089 VanDerWaalsContact C-N 3.31Å; R2087-R2089 PolarHBondContact O-N 3.36Å; R2087-L2090 PolarHBondContact O-N 3.42Å; R2087-E2091 IonicContact CZ-OE1 2.75Å; R2087-E2091 IonicContact CZ-OE2 3.2Å; R2087-E2091 IonicContact NH1-OE1 2.71Å; R2087-E2091 PolarHBondContact NH1-OE1 3.12Å; R2087-E2091 IonicContact NH1-OE2 3.74Å; R2087-E2091 PolarHBondContact NH1-OE2 3.14Å; R2087-E2091 IonicContact NH2-OE1 3.63Å; R2087-E2091 IonicContact NH2-OE2 2.83Å; R2087-E2091 PolarHBondContact NH2-OE2 3.18Å; R2087-E2091 WeakPolarHBondContact O-CG 3.49Å; R2087-E2091 PolarHBondContact O-N 3.48Å |
| 2088 | K | 76.3 | Confident | 67.7 | Low | 126 Ų | 126 | 108.8 Ų | 108.8 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 173.5 | -78.9 | -176.7 | 177.5 | -176.9 | 0 | 112.1 | E2084 A2085 E2091 E2092 | E2084-K2088 WeakPolarHBondContact O-CB 3.41Å; E2084-K2088 WeakPolarHBondContact O-CG 3.36Å; E2084-K2088 PolarHBondContact O-N 3.23Å; A2085-K2088 PolarHBondContact O-N 3.4Å; K2088-E2091 WeakPolarHBondContact O-CB 3.31Å; K2088-E2091 PolarHBondContact O-N 2.97Å; K2088-E2092 WeakPolarHBondContact O-CG 3.48Å; K2088-E2092 PolarHBondContact O-N 3.15Å |
| 2089 | R | 78.5 | Confident | 69.8 | Low | 144 Ų | 144 | 109.4 Ų | 109.4 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 178.5 | -173.1 | 178.1 | 166.2 | -156.4 | -10.9 | 112.4 | A2085 D2086 R2087 E2092 E2093 | A2085-R2089 VanDerWaalsContact O-CB 3.31Å; A2085-R2089 WeakPolarHBondContact O-CB 3.47Å; A2085-R2089 PolarHBondContact O-N 3.33Å; D2086-R2089 PolarHBondContact O-N 3.43Å; R2087-R2089 VanDerWaalsContact C-N 3.31Å; R2087-R2089 PolarHBondContact O-N 3.36Å; R2089-E2092 PolarHBondContact O-N 2.85Å; R2089-E2093 IonicContact CZ-OE1 3.38Å; R2089-E2093 IonicContact NE-OE1 3.04Å; R2089-E2093 PolarHBondContact NE-OE1 2.94Å; R2089-E2093 IonicContact NH2-OE1 2.87Å; R2089-E2093 PolarHBondContact NH2-OE1 3.08Å; R2089-E2093 WeakPolarHBondContact O-CB 3.4Å; R2089-E2093 WeakPolarHBondContact O-CG 3.4Å; R2089-E2093 PolarHBondContact O-N 3.05Å |
| 2090 | L | 72.3 | Confident | 71.8 | Confident | 116 Ų | 116 | 108.3 Ų | 108.3 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.8 | -34.8 | 171.8 | -81.3 | 165.8 | 0 | 0 | 0 | 112.4 | D2086 R2087 A2094 | D2086-L2090 WeakPolarHBondContact O-CB 3.46Å; D2086-L2090 WeakPolarHBondContact O-CG 3.39Å; D2086-L2090 PolarHBondContact O-N 2.99Å; R2087-L2090 PolarHBondContact O-N 3.42Å; L2090-A2094 WeakPolarHBondContact O-CB 3.46Å; L2090-A2094 PolarHBondContact O-N 3.19Å |
| 2091 | E | 74.5 | Confident | 73.5 | Confident | 89 Ų | 89 | 109.4 Ų | 109.4 | 42% | 0.416 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 170.9 | -73.5 | 178.9 | 150.4 | 0 | 0 | 111.3 | R2087 K2088 A2094 I2095 | R2087-E2091 IonicContact CZ-OE1 2.75Å; R2087-E2091 IonicContact CZ-OE2 3.2Å; R2087-E2091 IonicContact NH1-OE1 2.71Å; R2087-E2091 PolarHBondContact NH1-OE1 3.12Å; R2087-E2091 IonicContact NH1-OE2 3.74Å; R2087-E2091 PolarHBondContact NH1-OE2 3.14Å; R2087-E2091 IonicContact NH2-OE1 3.63Å; R2087-E2091 IonicContact NH2-OE2 2.83Å; R2087-E2091 PolarHBondContact NH2-OE2 3.18Å; R2087-E2091 WeakPolarHBondContact O-CG 3.49Å; R2087-E2091 PolarHBondContact O-N 3.48Å; K2088-E2091 WeakPolarHBondContact O-CB 3.31Å; K2088-E2091 PolarHBondContact O-N 2.97Å; E2091-A2094 PolarHBondContact O-N 2.79Å; E2091-I2095 WeakPolarHBondContact O-CB 3.32Å; E2091-I2095 WeakPolarHBondContact O-CD1 3.46Å; E2091-I2095 WeakPolarHBondContact O-CG1 3.43Å; E2091-I2095 PolarHBondContact O-N 2.92Å |
| 2092 | E | 80.1 | Confident | 74.5 | Confident | 133 Ų | 133 | 105.7 Ų | 105.7 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -47.6 | 172.9 | -75.9 | -173.1 | 162.6 | 0 | 0 | 112.3 | K2088 R2089 A2094 I2095 K2096 | K2088-E2092 WeakPolarHBondContact O-CG 3.48Å; K2088-E2092 PolarHBondContact O-N 3.15Å; R2089-E2092 PolarHBondContact O-N 2.85Å; E2092-A2094 VanDerWaalsContact C-N 3.33Å; E2092-A2094 PolarHBondContact O-N 2.98Å; E2092-I2095 PolarHBondContact O-N 3.28Å; E2092-K2096 WeakPolarHBondContact O-CB 3.45Å; E2092-K2096 PolarHBondContact O-N 3.28Å |
| 2093 | E | 78.4 | Confident | 75.2 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 177.6 | -74.7 | -179.9 | -168.5 | 0 | 0 | 111.5 | R2089 K2096 Y2097 | R2089-E2093 IonicContact CZ-OE1 3.38Å; R2089-E2093 IonicContact NE-OE1 3.04Å; R2089-E2093 PolarHBondContact NE-OE1 2.94Å; R2089-E2093 IonicContact NH2-OE1 2.87Å; R2089-E2093 PolarHBondContact NH2-OE1 3.08Å; R2089-E2093 WeakPolarHBondContact O-CB 3.4Å; R2089-E2093 WeakPolarHBondContact O-CG 3.4Å; R2089-E2093 PolarHBondContact O-N 3.05Å; E2093-K2096 PolarHBondContact O-N 3.28Å; E2093-Y2097 WeakPolarHBondContact O-CB 3.35Å; E2093-Y2097 PolarHBondContact O-N 3.42Å |
| 2094 | A | 74.2 | Confident | 76.1 | Confident | 41 Ų | 41 | 107.8 Ų | 107.8 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2090 E2091 E2092 Y2097 R2098 | L2090-A2094 WeakPolarHBondContact O-CB 3.46Å; L2090-A2094 PolarHBondContact O-N 3.19Å; E2091-A2094 PolarHBondContact O-N 2.79Å; E2092-A2094 VanDerWaalsContact C-N 3.33Å; E2092-A2094 PolarHBondContact O-N 2.98Å; A2094-Y2097 PolarHBondContact O-N 3.24Å; A2094-R2098 VanDerWaalsContact O-CG 3.29Å; A2094-R2098 WeakPolarHBondContact O-CG 3.31Å; A2094-R2098 PolarHBondContact O-N 3.04Å |
| 2095 | I | 77.1 | Confident | 76.6 | Confident | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 172 | -72.5 | 163.5 | 0 | 0 | 0 | 109.8 | E2091 E2092 Y2097 R2098 Q2099 | E2091-I2095 WeakPolarHBondContact O-CB 3.32Å; E2091-I2095 WeakPolarHBondContact O-CD1 3.46Å; E2091-I2095 WeakPolarHBondContact O-CG1 3.43Å; E2091-I2095 PolarHBondContact O-N 2.92Å; E2092-I2095 PolarHBondContact O-N 3.28Å; I2095-Y2097 VanDerWaalsContact C-N 3.33Å; I2095-Y2097 PolarHBondContact O-N 3.35Å; I2095-R2098 CarbonylContact O-C 3.59Å; I2095-R2098 WeakPolarHBondContact O-CB 3.46Å; I2095-R2098 PolarHBondContact O-N 3.07Å; I2095-Q2099 HydrophobicContact CG2-CG 4.42Å; I2095-Q2099 WeakPolarHBondContact O-CB 3.48Å; I2095-Q2099 WeakPolarHBondContact O-CG 3.37Å; I2095-Q2099 PolarHBondContact O-N 3.46Å |
| 2096 | K | 83 | Confident | 76.5 | Confident | 149 Ų | 149 | 114.1 Ų | 114.1 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -35.3 | 178.8 | -161.2 | 170.6 | -170 | 172.3 | 0 | 111.9 | E2092 E2093 L2100 | E2092-K2096 WeakPolarHBondContact O-CB 3.45Å; E2092-K2096 PolarHBondContact O-N 3.28Å; E2093-K2096 PolarHBondContact O-N 3.28Å; K2096-L2100 VanDerWaalsContact O-CB 3.28Å; K2096-L2100 WeakPolarHBondContact O-CB 3.42Å; K2096-L2100 PolarHBondContact O-N 3.12Å |
| 2097 | Y | 77.9 | Confident | 76.3 | Confident | 151 Ų | 151 | 116.3 Ų | 116.3 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.3 | -38.9 | 171.5 | -177.7 | -114.2 | 0 | 0 | 0 | 112.7 | E2093 A2094 I2095 L2100 K2101 | E2093-Y2097 WeakPolarHBondContact O-CB 3.35Å; E2093-Y2097 PolarHBondContact O-N 3.42Å; A2094-Y2097 PolarHBondContact O-N 3.24Å; I2095-Y2097 VanDerWaalsContact C-N 3.33Å; I2095-Y2097 PolarHBondContact O-N 3.35Å; Y2097-L2100 PolarHBondContact O-N 3.17Å; Y2097-K2101 WeakPolarHBondContact O-CB 3.4Å; Y2097-K2101 PolarHBondContact O-N 3.43Å |
| 2098 | R | 75.2 | Confident | 75.9 | Confident | 183 Ų | 183 | 117.5 Ų | 117.5 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 171.5 | -72 | 174.8 | -162 | -177.8 | 8.4 | 111.3 | A2094 I2095 K2101 A2102 | A2094-R2098 VanDerWaalsContact O-CG 3.29Å; A2094-R2098 WeakPolarHBondContact O-CG 3.31Å; A2094-R2098 PolarHBondContact O-N 3.04Å; I2095-R2098 CarbonylContact O-C 3.59Å; I2095-R2098 WeakPolarHBondContact O-CB 3.46Å; I2095-R2098 PolarHBondContact O-N 3.07Å; R2098-K2101 PolarHBondContact O-N 2.89Å; R2098-A2102 WeakPolarHBondContact O-CB 3.43Å; R2098-A2102 PolarHBondContact O-N 3.1Å |
| 2099 | Q | 79.3 | Confident | 75.1 | Confident | 117 Ų | 117 | 116.1 Ų | 116.1 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -53.4 | 173.4 | -76 | 175.6 | -12.4 | 0 | 0 | 110.5 | I2095 K2101 A2102 E2103 | I2095-Q2099 HydrophobicContact CG2-CG 4.42Å; I2095-Q2099 WeakPolarHBondContact O-CB 3.48Å; I2095-Q2099 WeakPolarHBondContact O-CG 3.37Å; I2095-Q2099 PolarHBondContact O-N 3.46Å; Q2099-K2101 PolarHBondContact O-N 3.13Å; Q2099-A2102 CarbonylContact O-C 3.5Å; Q2099-A2102 WeakPolarHBondContact O-CA 3.48Å; Q2099-A2102 WeakPolarHBondContact O-CB 3.46Å; Q2099-A2102 PolarHBondContact O-N 3.22Å; Q2099-E2103 WeakPolarHBondContact O-CB 3.28Å; Q2099-E2103 WeakPolarHBondContact O-CG 3.42Å; Q2099-E2103 PolarHBondContact O-N 2.97Å |
| 2100 | L | 81.7 | Confident | 74.1 | Confident | 78 Ų | 78 | 118 Ų | 118 | 41% | 0.408 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.6 | -29 | 179.2 | -163.1 | 113.5 | 0 | 0 | 0 | 112.8 | K2096 Y2097 R2104 | K2096-L2100 VanDerWaalsContact O-CB 3.28Å; K2096-L2100 WeakPolarHBondContact O-CB 3.42Å; K2096-L2100 PolarHBondContact O-N 3.12Å; Y2097-L2100 PolarHBondContact O-N 3.17Å; L2100-R2104 VanDerWaalsContact O-CB 3.24Å; L2100-R2104 WeakPolarHBondContact O-CB 3.48Å; L2100-R2104 VanDerWaalsContact O-CG 3.28Å; L2100-R2104 WeakPolarHBondContact O-CG 3.46Å; L2100-R2104 PolarHBondContact O-N 2.93Å |
| 2101 | K | 80.8 | Confident | 73.2 | Confident | 129 Ų | 129 | 119.6 Ų | 119.6 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.4 | -34.5 | 172.3 | -169.8 | 171.7 | -176.6 | 175.7 | 0 | 112.4 | Y2097 R2098 Q2099 K2105 | Y2097-K2101 WeakPolarHBondContact O-CB 3.4Å; Y2097-K2101 PolarHBondContact O-N 3.43Å; R2098-K2101 PolarHBondContact O-N 2.89Å; Q2099-K2101 PolarHBondContact O-N 3.13Å; K2101-K2105 PolarHBondContact O-N 3.48Å |
| 2102 | A | 77.4 | Confident | 71.9 | Confident | 51 Ų | 51 | 120.2 Ų | 120.2 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.9 | -41.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R2098 Q2099 K2105 H2106 | R2098-A2102 WeakPolarHBondContact O-CB 3.43Å; R2098-A2102 PolarHBondContact O-N 3.1Å; Q2099-A2102 CarbonylContact O-C 3.5Å; Q2099-A2102 WeakPolarHBondContact O-CA 3.48Å; Q2099-A2102 WeakPolarHBondContact O-CB 3.46Å; Q2099-A2102 PolarHBondContact O-N 3.22Å; A2102-K2105 CarbonylContact O-C 3.57Å; A2102-K2105 WeakPolarHBondContact O-CB 3.5Å; A2102-K2105 PolarHBondContact O-N 3.14Å; A2102-H2106 WeakPolarHBondContact O-CB 3.42Å; A2102-H2106 PolarHBondContact O-N 3.02Å |
| 2103 | E | 78.3 | Confident | 70.3 | Confident | 112 Ų | 112 | 119.9 Ų | 119.9 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 171.6 | -73 | -169.8 | 127 | 0 | 0 | 111.3 | Q2099 K2105 H2106 Q2107 | Q2099-E2103 WeakPolarHBondContact O-CB 3.28Å; Q2099-E2103 WeakPolarHBondContact O-CG 3.42Å; Q2099-E2103 PolarHBondContact O-N 2.97Å; E2103-K2105 VanDerWaalsContact C-N 3.34Å; E2103-K2105 PolarHBondContact O-N 2.89Å; E2103-H2106 CarbonylContact O-C 3.48Å; E2103-H2106 PolarHBondContact O-N 3.32Å; E2103-H2106 VanDerWaalsContact O-N 3.15Å; E2103-Q2107 VanDerWaalsContact O-CB 3.3Å; E2103-Q2107 WeakPolarHBondContact O-CB 3.41Å; E2103-Q2107 VanDerWaalsContact O-CG 3.32Å; E2103-Q2107 WeakPolarHBondContact O-CG 3.47Å; E2103-Q2107 PolarHBondContact O-N 3.18Å |
| 2104 | R | 74.4 | Confident | 68.8 | Low | 171 Ų | 171 | 119.5 Ų | 119.5 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.9 | -41.8 | 170.6 | -82.6 | -178.7 | 174.9 | -174.6 | -1 | 111.4 | L2100 Q2107 Q2108 | L2100-R2104 VanDerWaalsContact O-CB 3.24Å; L2100-R2104 WeakPolarHBondContact O-CB 3.48Å; L2100-R2104 VanDerWaalsContact O-CG 3.28Å; L2100-R2104 WeakPolarHBondContact O-CG 3.46Å; L2100-R2104 PolarHBondContact O-N 2.93Å; R2104-Q2107 PolarHBondContact O-N 3.08Å; R2104-Q2108 VanDerWaalsContact O-CB 3.24Å; R2104-Q2108 WeakPolarHBondContact O-CB 3.46Å; R2104-Q2108 PolarHBondContact O-N 2.93Å |
| 2105 | K | 72.9 | Confident | 67.2 | Low | 148 Ų | 148 | 121.6 Ų | 121.6 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -42 | 170.7 | -88.1 | -163.5 | 169.6 | -166.2 | 0 | 112.7 | K2101 A2102 E2103 Q2108 Q2109 | K2101-K2105 PolarHBondContact O-N 3.48Å; A2102-K2105 CarbonylContact O-C 3.57Å; A2102-K2105 WeakPolarHBondContact O-CB 3.5Å; A2102-K2105 PolarHBondContact O-N 3.14Å; E2103-K2105 VanDerWaalsContact C-N 3.34Å; E2103-K2105 PolarHBondContact O-N 2.89Å; K2105-Q2108 PolarHBondContact O-N 3.15Å; K2105-Q2109 WeakPolarHBondContact O-CB 3.41Å; K2105-Q2109 WeakPolarHBondContact O-CG 3.48Å; K2105-Q2109 PolarHBondContact O-N 2.88Å |
| 2106 | H | 71.1 | Confident | 65.4 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 55% | 0.546 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.3 | -27.2 | 177.9 | -101.6 | -50.1 | 0 | 0 | 0 | 113.5 | A2102 E2103 R2110 | A2102-H2106 WeakPolarHBondContact O-CB 3.42Å; A2102-H2106 PolarHBondContact O-N 3.02Å; E2103-H2106 CarbonylContact O-C 3.48Å; E2103-H2106 PolarHBondContact O-N 3.32Å; E2103-H2106 VanDerWaalsContact O-N 3.15Å; H2106-R2110 WeakPolarHBondContact O-CA 3.35Å; H2106-R2110 WeakPolarHBondContact O-CB 3.42Å; H2106-R2110 VanDerWaalsContact O-CG 3.22Å; H2106-R2110 WeakPolarHBondContact O-CG 3.36Å; H2106-R2110 PolarHBondContact O-N 2.94Å |
| 2107 | Q | 66.7 | Low | 62.8 | Low | 114 Ų | 114 | 123.5 Ų | 123.5 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -80.8 | -33.5 | 172.8 | -74.6 | -177.8 | 6.2 | 0 | 0 | 111.5 | E2103 R2104 K2111 | E2103-Q2107 VanDerWaalsContact O-CB 3.3Å; E2103-Q2107 WeakPolarHBondContact O-CB 3.41Å; E2103-Q2107 VanDerWaalsContact O-CG 3.32Å; E2103-Q2107 WeakPolarHBondContact O-CG 3.47Å; E2103-Q2107 PolarHBondContact O-N 3.18Å; R2104-Q2107 PolarHBondContact O-N 3.08Å; Q2107-K2111 VanDerWaalsContact O-CB 3.31Å; Q2107-K2111 WeakPolarHBondContact O-CB 3.49Å; Q2107-K2111 VanDerWaalsContact O-CG 3.3Å; Q2107-K2111 WeakPolarHBondContact O-CG 3.46Å; Q2107-K2111 PolarHBondContact O-N 3.47Å |
| 2108 | Q | 64.8 | Low | 60.6 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 55% | 0.551 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.2 | -55.6 | 168.8 | -160.7 | 84.9 | 23.2 | 0 | 0 | 109 | R2104 K2105 R2110 K2111 E2112 | R2104-Q2108 VanDerWaalsContact O-CB 3.24Å; R2104-Q2108 WeakPolarHBondContact O-CB 3.46Å; R2104-Q2108 PolarHBondContact O-N 2.93Å; K2105-Q2108 PolarHBondContact O-N 3.15Å; Q2108-R2110 PolarHBondContact O-N 3.27Å; Q2108-K2111 PolarHBondContact O-N 3.44Å; Q2108-K2111 VanDerWaalsContact O-N 3.12Å; Q2108-E2112 VanDerWaalsContact CG-OE1 3.3Å; Q2108-E2112 WeakPolarHBondContact CG-OE1 3.44Å; Q2108-E2112 WeakPolarHBondContact O-CB 3.2Å; Q2108-E2112 VanDerWaalsContact O-CG 3.31Å; Q2108-E2112 WeakPolarHBondContact O-CG 3.38Å; Q2108-E2112 PolarHBondContact O-N 2.87Å |
| 2109 | Q | 59.3 | Low | 58.6 | Low | 97 Ų | 97 | 118.3 Ų | 118.3 | 45% | 0.453 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.4 | -37.1 | 176.1 | -73 | -178.2 | -23.2 | 0 | 0 | 113 | K2105 Q2113 | K2105-Q2109 WeakPolarHBondContact O-CB 3.41Å; K2105-Q2109 WeakPolarHBondContact O-CG 3.48Å; K2105-Q2109 PolarHBondContact O-N 2.88Å; Q2109-Q2113 WeakPolarHBondContact O-CB 3.45Å; Q2109-Q2113 WeakPolarHBondContact O-CG 3.31Å; Q2109-Q2113 PolarHBondContact O-N 2.73Å |
| 2110 | R | 56.6 | Low | 56.2 | Low | 185 Ų | 185 | 115.6 Ų | 115.6 | 70% | 0.698 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -34.3 | 173.6 | -85.1 | -177.2 | 173.4 | -171.4 | -0.2 | 112.7 | H2106 Q2108 Q2113 S2114 | H2106-R2110 WeakPolarHBondContact O-CA 3.35Å; H2106-R2110 WeakPolarHBondContact O-CB 3.42Å; H2106-R2110 VanDerWaalsContact O-CG 3.22Å; H2106-R2110 WeakPolarHBondContact O-CG 3.36Å; H2106-R2110 PolarHBondContact O-N 2.94Å; Q2108-R2110 PolarHBondContact O-N 3.27Å; R2110-Q2113 CarbonylContact O-C 3.48Å; R2110-Q2113 PolarHBondContact O-N 3.16Å; R2110-S2114 WeakPolarHBondContact O-CB 3.42Å; R2110-S2114 PolarHBondContact O-N 3.24Å; R2110-S2114 PolarHBondContact O-OG 2.63Å; R2110-S2114 VanDerWaalsContact O-OG 3.08Å |
| 2111 | K | 54 | Low | 53.8 | Low | 148 Ų | 148 | 119.7 Ų | 119.7 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.9 | -45.7 | 173 | -78.6 | -178.3 | 174.8 | -169.9 | 0 | 110.9 | Q2107 Q2108 Q2113 S2114 S2115 | Q2107-K2111 VanDerWaalsContact O-CB 3.31Å; Q2107-K2111 WeakPolarHBondContact O-CB 3.49Å; Q2107-K2111 VanDerWaalsContact O-CG 3.3Å; Q2107-K2111 WeakPolarHBondContact O-CG 3.46Å; Q2107-K2111 PolarHBondContact O-N 3.47Å; Q2108-K2111 PolarHBondContact O-N 3.44Å; Q2108-K2111 VanDerWaalsContact O-N 3.12Å; K2111-Q2113 PolarHBondContact O-N 3.32Å; K2111-S2114 PolarHBondContact O-N 2.61Å; K2111-S2114 VanDerWaalsContact O-N 3.11Å; K2111-S2115 WeakPolarHBondContact O-CB 3.35Å; K2111-S2115 PolarHBondContact O-N 2.67Å; K2111-S2115 PolarHBondContact O-OG 3.04Å |
| 2112 | E | 46.8 | Very low | 51.3 | Low | 103 Ų | 103 | 126 Ų | 126 | 48% | 0.481 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.6 | -23.2 | 173.8 | -68.5 | 160.9 | -176.9 | 0 | 0 | 112.7 | Q2108 N2116 | Q2108-E2112 VanDerWaalsContact CG-OE1 3.3Å; Q2108-E2112 WeakPolarHBondContact CG-OE1 3.44Å; Q2108-E2112 WeakPolarHBondContact O-CB 3.2Å; Q2108-E2112 VanDerWaalsContact O-CG 3.31Å; Q2108-E2112 WeakPolarHBondContact O-CG 3.38Å; Q2108-E2112 PolarHBondContact O-N 2.87Å; E2112-N2116 PolarHBondContact O-ND2 3Å |
| 2113 | Q | 46.3 | Very low | 50 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -100.4 | -7.9 | 174.2 | -69.2 | 176.3 | -17.7 | 0 | 0 | 114.2 | Q2109 R2110 K2111 | Q2109-Q2113 WeakPolarHBondContact O-CB 3.45Å; Q2109-Q2113 WeakPolarHBondContact O-CG 3.31Å; Q2109-Q2113 PolarHBondContact O-N 2.73Å; R2110-Q2113 CarbonylContact O-C 3.48Å; R2110-Q2113 PolarHBondContact O-N 3.16Å; K2111-Q2113 PolarHBondContact O-N 3.32Å |
| 2114 | S | 47.4 | Very low | 48.5 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -110.4 | -4.6 | 175.4 | 80.5 | 0 | 0 | 0 | 0 | 113.5 | R2110 K2111 N2116 | R2110-S2114 WeakPolarHBondContact O-CB 3.42Å; R2110-S2114 PolarHBondContact O-N 3.24Å; R2110-S2114 PolarHBondContact O-OG 2.63Å; R2110-S2114 VanDerWaalsContact O-OG 3.08Å; K2111-S2114 PolarHBondContact O-N 2.61Å; K2111-S2114 VanDerWaalsContact O-N 3.11Å; S2114-N2116 VanDerWaalsContact C-N 3.32Å |
| 2115 | S | 41.2 | Very low | 47 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -91.7 | 9.8 | 171.4 | 69.9 | 0 | 0 | 0 | 0 | 113.2 | K2111 | K2111-S2115 WeakPolarHBondContact O-CB 3.35Å; K2111-S2115 PolarHBondContact O-N 2.67Å; K2111-S2115 PolarHBondContact O-OG 3.04Å |
| 2116 | N | 37.3 | Very low | 45.5 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 66% | 0.658 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -117.1 | 8.2 | -174 | -82.9 | -56.1 | 0 | 0 | 0 | 113.7 | E2112 S2114 | E2112-N2116 PolarHBondContact O-ND2 3Å; S2114-N2116 VanDerWaalsContact C-N 3.32Å |
| 2117 | D | 29.9 | Very low | 43.9 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -129.7 | 48.2 | -178.3 | -93.1 | -41.6 | 0 | 0 | 0 | 112.3 | ||
| 2118 | S | 32.1 | Very low | 42.4 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -162.8 | 124.2 | 161.9 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | ||
| 2119 | T | 32.1 | Very low | 40.8 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | 26.4 | 116.6 | 150.3 | 55.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2120 | G | 28.6 | Very low | 39.4 | Very low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | cis | 80.4 | 121.4 | 21.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2121 | I | 31.4 | Very low | 37.9 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | 72 | 123.6 | -146.9 | -47.7 | 159.2 | 0 | 0 | 0 | 108.8 | ||||
| 2122 | E | 27.9 | Very low | 36.4 | Very low | 260 Ų | 260 | 125.7 Ų | 125.7 | 100% | 1.215 | 72% | 0.716 | S | S | * | * | cis | -124 | 0 | 9 | -151.9 | 159.1 | -138.6 | 0 | 0 | 111.7 |
Retrieved 2,122 of 2,122 residues in 3452.8 ms
(Link to these results)