| 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 | 42.2 | Very low | 68 | Low | 122 Ų | 122 | 91.5 Ų | 91.5 | 60% | 0.601 | 48% | 0.478 | S | S | * | . | 0 | 151.6 | 0 | -78 | 162.8 | 62.1 | 0 | 0 | 108.8 | D5 T6 R56 | M1-D5 HydrophobicContact CB-CB 4.1Å; M1-D5 HydrophobicContact CE-CB 3.6Å; M1-D5 HydrophobicContact CG-CB 4.39Å; M1-T6 HydrophobicContact CE-CG2 4.38Å; M1-R56 HydrophobicContact SD-CB 4.42Å | |||
| 2 | S | 46.1 | Very low | 69.3 | Low | 66 Ų | 66 | 84.6 Ų | 84.6 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | trans | -81.4 | 156.6 | 172.4 | 68.8 | 0 | 0 | 0 | 0 | 110.5 | R4 D5 | S2-R4 PolarHBondContact O-N 3.24Å; S2-D5 PolarHBondContact N-OD2 3.5Å; S2-D5 WeakPolarHBondContact O-CB 3.49Å; S2-D5 PolarHBondContact O-N 2.69Å; S2-D5 PolarHBondContact OG-OD2 2.8Å | ||
| 3 | D | 59.3 | Low | 70.3 | Confident | 145 Ų | 145 | 78.2 Ų | 78.2 | 78% | 0.775 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -57 | -19.1 | 178.8 | -66.5 | -40.8 | 0 | 0 | 0 | 113.8 | T6 A7 | D3-T6 PolarHBondContact O-OG1 3.35Å; D3-T6 VanDerWaalsContact O-OG1 3.1Å; D3-A7 PolarHBondContact O-N 3.34Å |
| 4 | R | 67.1 | Low | 71.3 | Confident | 217 Ų | 217 | 81.9 Ų | 81.9 | 82% | 0.819 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.6 | -33.6 | 175.2 | -140.5 | 178.7 | -163.3 | -178.6 | 5.3 | 112.4 | S2 S8 | S2-R4 PolarHBondContact O-N 3.24Å; R4-S8 PolarHBondContact O-N 3.41Å |
| 5 | D | 68.6 | Low | 72.5 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 35% | 0.348 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.5 | -44.4 | -175.9 | -56.3 | -50.2 | 0 | 0 | 0 | 110.8 | M1 S2 S8 L9 | M1-D5 HydrophobicContact CB-CB 4.1Å; M1-D5 HydrophobicContact CE-CB 3.6Å; M1-D5 HydrophobicContact CG-CB 4.39Å; S2-D5 PolarHBondContact N-OD2 3.5Å; S2-D5 WeakPolarHBondContact O-CB 3.49Å; S2-D5 PolarHBondContact O-N 2.69Å; S2-D5 PolarHBondContact OG-OD2 2.8Å; D5-S8 PolarHBondContact O-N 3.02Å; D5-S8 PolarHBondContact O-OG 3.42Å; D5-L9 WeakPolarHBondContact O-CB 3.36Å; D5-L9 PolarHBondContact O-N 3.36Å |
| 6 | T | 70.9 | Confident | 73.4 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 37% | 0.368 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 179.4 | 52.1 | 0 | 0 | 0 | 0 | 111.9 | M1 D3 S8 L9 L10 | M1-T6 HydrophobicContact CE-CG2 4.38Å; D3-T6 PolarHBondContact O-OG1 3.35Å; D3-T6 VanDerWaalsContact O-OG1 3.1Å; T6-S8 VanDerWaalsContact C-N 3.3Å; T6-S8 PolarHBondContact O-N 3.27Å; T6-L9 PolarHBondContact O-N 2.97Å; T6-L9 VanDerWaalsContact O-N 3.16Å; T6-L10 PolarHBondContact O-N 3.45Å |
| 7 | A | 76.5 | Confident | 74.1 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 50% | 0.496 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D3 L9 K11 | D3-A7 PolarHBondContact O-N 3.34Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-K11 WeakPolarHBondContact O-CB 3.26Å; A7-K11 PolarHBondContact O-N 3.15Å |
| 8 | S | 79.3 | Confident | 75 | Confident | 49 Ų | 49 | 73 Ų | 73 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 175.6 | 83.5 | 0 | 0 | 0 | 0 | 112.3 | R4 D5 T6 F12 | R4-S8 PolarHBondContact O-N 3.41Å; D5-S8 PolarHBondContact O-N 3.02Å; D5-S8 PolarHBondContact O-OG 3.42Å; T6-S8 VanDerWaalsContact C-N 3.3Å; T6-S8 PolarHBondContact O-N 3.27Å; S8-F12 PolarHBondContact O-N 3.3Å |
| 9 | L | 75.8 | Confident | 75.8 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.7 | -41.5 | -177.5 | -157.8 | 66.3 | 0 | 0 | 0 | 111.5 | D5 T6 A7 K11 F12 T13 L55 R56 L59 | D5-L9 WeakPolarHBondContact O-CB 3.36Å; D5-L9 PolarHBondContact O-N 3.36Å; T6-L9 PolarHBondContact O-N 2.97Å; T6-L9 VanDerWaalsContact O-N 3.16Å; A7-L9 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.39Å; L9-F12 HydrophobicContact CD1-CD1 4.37Å; L9-F12 WeakPolarHBondContact O-CB 3.41Å; L9-F12 PolarHBondContact O-N 2.79Å; L9-F12 VanDerWaalsContact O-N 3.14Å; L9-T13 PolarHBondContact O-N 3.29Å; L9-T13 PolarHBondContact O-OG1 2.96Å; L9-L55 HydrophobicContact CB-CD2 4.14Å; L9-L55 HydrophobicContact CD2-CB 3.99Å; L9-L55 HydrophobicContact CD2-CD2 3.92Å; L9-L55 HydrophobicContact CD2-CG 3.77Å; L9-L55 HydrophobicContact CG-CD2 4.06Å; L9-L55 HydrophobicContact CG-CG 4.28Å; L9-R56 HydrophobicContact CD2-CB 3.86Å; L9-L59 HydrophobicContact CD1-CD1 4.13Å; L9-L59 HydrophobicContact CD2-CD1 4.1Å; L9-L59 HydrophobicContact CG-CD1 3.87Å |
| 10 | L | 78.7 | Confident | 76.5 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 41% | 0.414 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 171.4 | -75.3 | 169.6 | 0 | 0 | 0 | 111.6 | T6 F12 T13 E14 I49 L55 | T6-L10 PolarHBondContact O-N 3.45Å; L10-F12 VanDerWaalsContact C-N 3.27Å; L10-F12 PolarHBondContact O-N 3.2Å; L10-T13 PolarHBondContact O-N 3.2Å; L10-E14 PolarHBondContact O-N 3.4Å; L10-I49 HydrophobicContact CD2-CG2 4.05Å; L10-L55 HydrophobicContact CD2-CD2 3.9Å; L10-L55 HydrophobicContact CG-CD2 4.04Å |
| 11 | K | 83.5 | Confident | 77.2 | Confident | 136 Ų | 136 | 70.8 Ų | 70.8 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.1 | -35.1 | 176.1 | -172.7 | 173.9 | -176.1 | 174.9 | 0 | 112 | A7 L9 N15 | A7-K11 WeakPolarHBondContact O-CB 3.26Å; A7-K11 PolarHBondContact O-N 3.15Å; L9-K11 PolarHBondContact O-N 3.39Å; K11-N15 PolarHBondContact O-N 3.24Å; K11-N15 PolarHBondContact O-ND2 3.06Å |
| 12 | F | 83.6 | Confident | 79.5 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 171.5 | 162.1 | -111.8 | 0 | 0 | 0 | 111.6 | S8 L9 L10 E14 N15 V16 R91 F92 Q95 | S8-F12 PolarHBondContact O-N 3.3Å; L9-F12 HydrophobicContact CD1-CD1 4.37Å; L9-F12 WeakPolarHBondContact O-CB 3.41Å; L9-F12 PolarHBondContact O-N 2.79Å; L9-F12 VanDerWaalsContact O-N 3.14Å; L10-F12 VanDerWaalsContact C-N 3.27Å; L10-F12 PolarHBondContact O-N 3.2Å; F12-E14 VanDerWaalsContact C-N 3.33Å; F12-E14 PolarHBondContact O-N 3.11Å; F12-N15 WeakPolarHBondContact O-CA 3.48Å; F12-N15 WeakPolarHBondContact O-CB 3.4Å; F12-N15 PolarHBondContact O-N 2.87Å; F12-V16 HydrophobicContact CD2-CG2 4Å; F12-V16 HydrophobicContact CE1-CG2 4.2Å; F12-V16 HydrophobicContact CE2-CG2 3.45Å; F12-V16 VanDerWaalsContact CE2-CG2 3.45Å; F12-V16 HydrophobicContact CZ-CG2 3.57Å; F12-V16 PolarHBondContact O-N 3.2Å; F12-R91 HydrophobicContact CD2-CB 4.23Å; F12-R91 HydrophobicContact CE2-CB 3.85Å; F12-F92 HydrophobicContact CE2-CD2 4.46Å; F12-F92 HydrophobicContact CE2-CG 4.42Å; F12-F92 HydrophobicContact CZ-CB 4.47Å; F12-F92 AromaticContact CZ-CD1 3.74Å; F12-F92 HydrophobicContact CZ-CD1 3.74Å; F12-F92 HydrophobicContact CZ-CD2 4.17Å; F12-F92 AromaticContact CZ-CE1 3.95Å; F12-F92 HydrophobicContact CZ-CE1 3.95Å; F12-F92 HydrophobicContact CZ-CE2 4.35Å; F12-F92 AromaticContact CZ-CG 3.86Å; F12-F92 HydrophobicContact CZ-CG 3.86Å; F12-F92 HydrophobicContact CZ-CZ 4.25Å; F12-Q95 HydrophobicContact CB-CG 3.89Å; F12-Q95 HydrophobicContact CD1-CB 4.31Å; F12-Q95 HydrophobicContact CD1-CG 4.15Å; F12-Q95 HydrophobicContact CD2-CB 4.38Å; F12-Q95 HydrophobicContact CD2-CG 3.65Å; F12-Q95 HydrophobicContact CE1-CB 4.45Å; F12-Q95 HydrophobicContact CE2-CG 4.19Å; F12-Q95 HydrophobicContact CG-CB 4.27Å; F12-Q95 HydrophobicContact CG-CG 3.62Å |
| 13 | T | 82.2 | Confident | 81.5 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | -179.3 | -36.2 | 0 | 0 | 0 | 0 | 112.8 | L9 L10 N15 V16 L17 L45 I49 L59 | L9-T13 PolarHBondContact O-N 3.29Å; L9-T13 PolarHBondContact O-OG1 2.96Å; L10-T13 PolarHBondContact O-N 3.2Å; T13-N15 VanDerWaalsContact C-N 3.34Å; T13-N15 PolarHBondContact O-N 3.17Å; T13-V16 PolarHBondContact O-N 2.87Å; T13-L17 PolarHBondContact O-N 3.25Å; T13-L45 HydrophobicContact CG2-CD1 3.41Å; T13-L45 VanDerWaalsContact CG2-CD1 3.41Å; T13-L45 HydrophobicContact CG2-CD2 3.95Å; T13-L45 HydrophobicContact CG2-CG 3.55Å; T13-I49 HydrophobicContact CG2-CD1 3.61Å; T13-I49 HydrophobicContact CG2-CG1 3.6Å; T13-L59 HydrophobicContact CG2-CD2 4.45Å |
| 14 | E | 85.2 | Confident | 82.8 | Confident | 131 Ų | 131 | 57.2 Ų | 57.2 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.4 | -41.1 | 170.5 | -69.3 | -175.9 | 146.6 | 0 | 0 | 112.7 | L10 F12 L17 Q18 | L10-E14 PolarHBondContact O-N 3.4Å; F12-E14 VanDerWaalsContact C-N 3.33Å; F12-E14 PolarHBondContact O-N 3.11Å; E14-L17 WeakPolarHBondContact O-CB 3.47Å; E14-L17 PolarHBondContact O-N 3.49Å; E14-Q18 PolarHBondContact O-N 3.21Å; E14-Q18 VanDerWaalsContact O-N 3.12Å |
| 15 | N | 88.5 | Confident | 83.7 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.1 | -81.1 | -81.8 | 0 | 0 | 0 | 111.6 | K11 F12 T13 L17 Q18 D19 R91 | K11-N15 PolarHBondContact O-N 3.24Å; K11-N15 PolarHBondContact O-ND2 3.06Å; F12-N15 WeakPolarHBondContact O-CA 3.48Å; F12-N15 WeakPolarHBondContact O-CB 3.4Å; F12-N15 PolarHBondContact O-N 2.87Å; T13-N15 VanDerWaalsContact C-N 3.34Å; T13-N15 PolarHBondContact O-N 3.17Å; N15-L17 VanDerWaalsContact C-N 3.34Å; N15-L17 PolarHBondContact O-N 2.65Å; N15-Q18 CarbonylContact O-C 3.56Å; N15-Q18 WeakPolarHBondContact O-CA 3.17Å; N15-Q18 WeakPolarHBondContact O-CB 3.47Å; N15-Q18 PolarHBondContact O-N 2.95Å; N15-D19 PolarHBondContact O-N 2.65Å; N15-R91 VanDerWaalsContact CG-NH1 3.28Å; N15-R91 PolarHBondContact OD1-NH1 3.22Å |
| 16 | V | 86.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | F12 T13 Q18 D19 Y20 L45 F70 F92 | F12-V16 HydrophobicContact CD2-CG2 4Å; F12-V16 HydrophobicContact CE1-CG2 4.2Å; F12-V16 HydrophobicContact CE2-CG2 3.45Å; F12-V16 VanDerWaalsContact CE2-CG2 3.45Å; F12-V16 HydrophobicContact CZ-CG2 3.57Å; F12-V16 PolarHBondContact O-N 3.2Å; T13-V16 PolarHBondContact O-N 2.87Å; V16-Q18 VanDerWaalsContact C-N 3.25Å; V16-Q18 PolarHBondContact O-N 2.97Å; V16-D19 PolarHBondContact O-N 3.18Å; V16-Y20 HydrophobicContact CG1-CD2 4.16Å; V16-Y20 HydrophobicContact CG1-CE1 4.41Å; V16-Y20 HydrophobicContact CG1-CE2 3.77Å; V16-Y20 PolarHBondContact O-N 3.48Å; V16-L45 HydrophobicContact CB-CD2 4.01Å; V16-L45 HydrophobicContact CG1-CD2 3.63Å; V16-F70 HydrophobicContact CG1-CE2 4.48Å; V16-F92 HydrophobicContact CB-CE2 4.47Å; V16-F92 HydrophobicContact CG1-CE2 3.84Å; V16-F92 HydrophobicContact CG1-CZ 3.75Å; V16-F92 HydrophobicContact CG2-CD2 4.41Å; V16-F92 HydrophobicContact CG2-CE2 3.7Å; V16-F92 HydrophobicContact CG2-CZ 3.9Å |
| 17 | L | 86.6 | Confident | 85.1 | Confident | 24 Ų | 24 | 47.8 Ų | 47.8 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -36.7 | 172.2 | -77.6 | 167.4 | 0 | 0 | 0 | 112.2 | T13 E14 N15 R21 I42 L45 I49 | T13-L17 PolarHBondContact O-N 3.25Å; E14-L17 WeakPolarHBondContact O-CB 3.47Å; E14-L17 PolarHBondContact O-N 3.49Å; N15-L17 VanDerWaalsContact C-N 3.34Å; N15-L17 PolarHBondContact O-N 2.65Å; L17-R21 VanDerWaalsContact O-CG 3.32Å; L17-R21 WeakPolarHBondContact O-CG 3.33Å; L17-R21 PolarHBondContact O-N 3.47Å; L17-R21 VanDerWaalsContact O-N 3.16Å; L17-I42 HydrophobicContact CD2-CG2 4.08Å; L17-L45 HydrophobicContact CD2-CD2 3.99Å; L17-L45 HydrophobicContact CG-CD2 3.81Å; L17-L45 HydrophobicContact CG-CG 4.48Å; L17-I49 HydrophobicContact CD1-CD1 4.05Å |
| 18 | Q | 89 | Confident | 85.2 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 43% | 0.425 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -75.1 | -36.2 | 176.4 | -172.1 | 58.4 | 21.9 | 0 | 0 | 112.8 | E14 N15 V16 R21 S22 | E14-Q18 PolarHBondContact O-N 3.21Å; E14-Q18 VanDerWaalsContact O-N 3.12Å; N15-Q18 CarbonylContact O-C 3.56Å; N15-Q18 WeakPolarHBondContact O-CA 3.17Å; N15-Q18 WeakPolarHBondContact O-CB 3.47Å; N15-Q18 PolarHBondContact O-N 2.95Å; V16-Q18 VanDerWaalsContact C-N 3.25Å; V16-Q18 PolarHBondContact O-N 2.97Å; Q18-R21 PolarHBondContact O-N 3.08Å; Q18-S22 WeakPolarHBondContact O-CB 3.31Å; Q18-S22 PolarHBondContact O-N 3.16Å; Q18-S22 PolarHBondContact O-OG 3.08Å |
| 19 | D | 90.3 | Very high | 85 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.2 | -66.4 | -21.2 | 0 | 0 | 0 | 110.5 | N15 V16 S22 L23 F70 A88 R91 | N15-D19 PolarHBondContact O-N 2.65Å; V16-D19 PolarHBondContact O-N 3.18Å; D19-S22 WeakPolarHBondContact O-CB 3.42Å; D19-S22 PolarHBondContact O-N 3.39Å; D19-L23 PolarHBondContact O-N 3.27Å; D19-F70 HydrophobicContact CB-CE1 4.32Å; D19-F70 HydrophobicContact CB-CZ 4.11Å; D19-A88 HydrophobicContact CB-CB 4.05Å; D19-R91 IonicContact OD1-CZ 3.37Å; D19-R91 IonicContact OD1-NE 2.69Å; D19-R91 IonicContact OD1-NH2 3.96Å; D19-R91 PolarHBondContact OD1-NH2 2.95Å; D19-R91 VanDerWaalsContact OD2-CD 3.25Å; D19-R91 WeakPolarHBondContact OD2-CD 3.45Å; D19-R91 IonicContact OD2-CZ 2.69Å; D19-R91 IonicContact OD2-NE 2.61Å; D19-R91 PolarHBondContact OD2-NE 3.19Å; D19-R91 IonicContact OD2-NH2 2.75Å |
| 20 | Y | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 171.4 | -74.2 | -30.4 | 0 | 0 | 0 | 113 | V16 S22 L23 I24 T38 Q41 I42 L45 L66 F70 | V16-Y20 HydrophobicContact CG1-CD2 4.16Å; V16-Y20 HydrophobicContact CG1-CE1 4.41Å; V16-Y20 HydrophobicContact CG1-CE2 3.77Å; V16-Y20 PolarHBondContact O-N 3.48Å; Y20-S22 PolarHBondContact O-N 3.29Å; Y20-L23 PolarHBondContact O-N 2.88Å; Y20-I24 WeakPolarHBondContact O-CB 3.38Å; Y20-I24 VanDerWaalsContact O-CG1 3.31Å; Y20-I24 WeakPolarHBondContact O-CG1 3.25Å; Y20-I24 PolarHBondContact O-N 3.26Å; Y20-T38 HydrophobicContact CD1-CG2 3.52Å; Y20-T38 HydrophobicContact CE1-CG2 4.4Å; Y20-T38 HydrophobicContact CG-CG2 3.8Å; Y20-Q41 HydrophobicContact CE1-CB 4.48Å; Y20-Q41 HydrophobicContact CE2-CB 3.94Å; Y20-I42 HydrophobicContact CD2-CG1 3.93Å; Y20-I42 HydrophobicContact CG-CG1 4.4Å; Y20-L45 HydrophobicContact CD2-CD2 4.19Å; Y20-L45 HydrophobicContact CE2-CD2 3.7Å; Y20-L66 VanDerWaalsContact OH-C 3.29Å; Y20-L66 VanDerWaalsContact OH-CA 3.29Å; Y20-L66 WeakPolarHBondContact OH-CA 3.43Å; Y20-L66 WeakPolarHBondContact OH-CB 3.49Å; Y20-L66 PolarHBondContact OH-O 3.46Å; Y20-F70 AromaticContact CD1-CE1 3.94Å; Y20-F70 HydrophobicContact CD1-CE1 3.94Å; Y20-F70 AromaticContact CD1-CE2 3.72Å; Y20-F70 HydrophobicContact CD1-CE2 3.72Å; Y20-F70 AromaticContact CD1-CZ 3.26Å; Y20-F70 HydrophobicContact CD1-CZ 3.26Å; Y20-F70 HydrophobicContact CE1-CD2 4.08Å; Y20-F70 HydrophobicContact CE1-CE1 4.26Å; Y20-F70 AromaticContact CE1-CE2 3.24Å; Y20-F70 HydrophobicContact CE1-CE2 3.24Å; Y20-F70 AromaticContact CE1-CZ 3.35Å; Y20-F70 HydrophobicContact CE1-CZ 3.35Å; Y20-F70 HydrophobicContact CG-CZ 4.27Å |
| 21 | R | 90.3 | Very high | 85.3 | Confident | 152 Ų | 152 | 68.1 Ų | 68.1 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | 174.9 | -73.9 | 167 | 177.5 | 170.9 | -0.1 | 111.5 | L17 Q18 S25 | L17-R21 VanDerWaalsContact O-CG 3.32Å; L17-R21 WeakPolarHBondContact O-CG 3.33Å; L17-R21 PolarHBondContact O-N 3.47Å; L17-R21 VanDerWaalsContact O-N 3.16Å; Q18-R21 PolarHBondContact O-N 3.08Å; R21-S25 WeakPolarHBondContact O-CB 3.35Å; R21-S25 PolarHBondContact O-N 3.13Å |
| 22 | S | 90 | Very high | 85.2 | Confident | 31 Ų | 31 | 65 Ų | 65 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 178 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | Q18 D19 Y20 S25 E26 | Q18-S22 WeakPolarHBondContact O-CB 3.31Å; Q18-S22 PolarHBondContact O-N 3.16Å; Q18-S22 PolarHBondContact O-OG 3.08Å; D19-S22 WeakPolarHBondContact O-CB 3.42Å; D19-S22 PolarHBondContact O-N 3.39Å; Y20-S22 PolarHBondContact O-N 3.29Å; S22-S25 WeakPolarHBondContact O-CB 3.39Å; S22-S25 PolarHBondContact O-N 3.3Å; S22-S25 VanDerWaalsContact O-N 3.1Å; S22-S25 PolarHBondContact O-OG 2.91Å; S22-E26 PolarHBondContact O-N 2.85Å |
| 23 | L | 88.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -45 | 175 | -179.5 | 59.2 | 0 | 0 | 0 | 112.2 | D19 Y20 S25 E26 T27 I34 T38 P69 F70 I81 | D19-L23 PolarHBondContact O-N 3.27Å; Y20-L23 PolarHBondContact O-N 2.88Å; L23-S25 VanDerWaalsContact C-N 3.26Å; L23-S25 PolarHBondContact O-N 3.18Å; L23-E26 PolarHBondContact O-N 3.22Å; L23-T27 HydrophobicContact CD1-CG2 3.75Å; L23-T27 HydrophobicContact CG-CG2 4.3Å; L23-T27 WeakPolarHBondContact O-CB 3.48Å; L23-T27 VanDerWaalsContact O-CG2 3.26Å; L23-T27 WeakPolarHBondContact O-CG2 3.43Å; L23-T27 PolarHBondContact O-N 3.46Å; L23-T27 PolarHBondContact O-OG1 2.97Å; L23-I34 HydrophobicContact CD1-CG2 4.33Å; L23-I34 HydrophobicContact CD2-CG2 4.22Å; L23-I34 HydrophobicContact CG-CG2 4.42Å; L23-T38 HydrophobicContact CB-CG2 4.49Å; L23-T38 HydrophobicContact CD2-CG2 4.24Å; L23-T38 WeakPolarHBondContact CD2-OG1 3.36Å; L23-P69 HydrophobicContact CD2-CB 4.43Å; L23-F70 HydrophobicContact CD2-CD1 3.75Å; L23-F70 HydrophobicContact CD2-CE1 3.95Å; L23-I81 HydrophobicContact CD1-CG2 3.88Å |
| 24 | I | 86.3 | Confident | 85.3 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 8% | 0.082 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.5 | -44 | 172.7 | -72.3 | 161.6 | 0 | 0 | 0 | 110 | Y20 T27 K28 K35 T38 E39 I42 | Y20-I24 WeakPolarHBondContact O-CB 3.38Å; Y20-I24 VanDerWaalsContact O-CG1 3.31Å; Y20-I24 WeakPolarHBondContact O-CG1 3.25Å; Y20-I24 PolarHBondContact O-N 3.26Å; I24-T27 WeakPolarHBondContact CA-OG1 3.43Å; I24-T27 PolarHBondContact O-N 2.71Å; I24-T27 PolarHBondContact O-OG1 3.19Å; I24-K28 WeakPolarHBondContact O-CG 3.48Å; I24-K28 PolarHBondContact O-N 3.1Å; I24-K28 VanDerWaalsContact O-N 3.15Å; I24-K35 HydrophobicContact CG2-CG 4.22Å; I24-T38 HydrophobicContact CD1-CG2 3.82Å; I24-T38 HydrophobicContact CG1-CG2 3.65Å; I24-E39 HydrophobicContact CD1-CG 3.52Å; I24-E39 HydrophobicContact CG1-CG 3.99Å; I24-I42 HydrophobicContact CD1-CD1 3.58Å |
| 25 | S | 86.3 | Confident | 85.3 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | -178.2 | 80 | 0 | 0 | 0 | 0 | 113.9 | R21 S22 L23 | R21-S25 WeakPolarHBondContact O-CB 3.35Å; R21-S25 PolarHBondContact O-N 3.13Å; S22-S25 WeakPolarHBondContact O-CB 3.39Å; S22-S25 PolarHBondContact O-N 3.3Å; S22-S25 VanDerWaalsContact O-N 3.1Å; S22-S25 PolarHBondContact O-OG 2.91Å; L23-S25 VanDerWaalsContact C-N 3.26Å; L23-S25 PolarHBondContact O-N 3.18Å |
| 26 | E | 84.8 | Confident | 85.1 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -77.1 | -31.9 | 179.1 | -166.1 | 68.3 | -170 | 0 | 0 | 111.7 | S22 L23 K80 I81 L84 | S22-E26 PolarHBondContact O-N 2.85Å; L23-E26 PolarHBondContact O-N 3.22Å; E26-K80 VanDerWaalsContact OE1-CD 3.22Å; E26-K80 WeakPolarHBondContact OE1-CD 3.29Å; E26-I81 HydrophobicContact CG-CD1 4.46Å; E26-I81 HydrophobicContact CG-CG1 3.77Å; E26-L84 HydrophobicContact CB-CD1 4.08Å; E26-L84 HydrophobicContact CG-CD1 4.25Å |
| 27 | T | 85.3 | Confident | 85 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -81.5 | -18.9 | -177.9 | 54 | 0 | 0 | 0 | 0 | 114.7 | L23 I24 R29 R30 F31 I34 I81 | L23-T27 HydrophobicContact CD1-CG2 3.75Å; L23-T27 HydrophobicContact CG-CG2 4.3Å; L23-T27 WeakPolarHBondContact O-CB 3.48Å; L23-T27 VanDerWaalsContact O-CG2 3.26Å; L23-T27 WeakPolarHBondContact O-CG2 3.43Å; L23-T27 PolarHBondContact O-N 3.46Å; L23-T27 PolarHBondContact O-OG1 2.97Å; I24-T27 WeakPolarHBondContact CA-OG1 3.43Å; I24-T27 PolarHBondContact O-N 2.71Å; I24-T27 PolarHBondContact O-OG1 3.19Å; T27-R29 PolarHBondContact O-N 3.37Å; T27-R30 PolarHBondContact O-N 3.15Å; T27-F31 HydrophobicContact CG2-CB 4.14Å; T27-F31 PolarHBondContact O-N 3.39Å; T27-F31 VanDerWaalsContact O-N 3.14Å; T27-I34 HydrophobicContact CG2-CB 4.15Å; T27-I34 HydrophobicContact CG2-CG2 4.03Å; T27-I81 HydrophobicContact CG2-CD1 4.16Å |
| 28 | K | 78.1 | Confident | 85.1 | Confident | 130 Ų | 130 | 69.1 Ų | 69.1 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.6 | -32.1 | -169.2 | -68.4 | -163.6 | 176.2 | 171 | 0 | 117 | I24 | I24-K28 WeakPolarHBondContact O-CG 3.48Å; I24-K28 PolarHBondContact O-N 3.1Å; I24-K28 VanDerWaalsContact O-N 3.15Å |
| 29 | R | 75.2 | Confident | 85 | Confident | 240 Ų | 240 | 68.4 Ų | 68.4 | 91% | 0.906 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -9.4 | -173.4 | -64.2 | -172.9 | -179.9 | -172 | 1 | 115.5 | T27 | T27-R29 PolarHBondContact O-N 3.37Š|
| 30 | R | 78 | Confident | 84.8 | Confident | 201 Ų | 201 | 70.5 Ų | 70.5 | 76% | 0.758 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -26.1 | -169.5 | -66 | -170.7 | -175.3 | -159.3 | 2.2 | 115.1 | T27 | T27-R30 PolarHBondContact O-N 3.15Š|
| 31 | F | 82.6 | Confident | 84.6 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 23% | 0.228 | 34% | 0.343 | C | S | . | . | trans | -137.3 | 65.3 | -172.5 | -58.4 | -82.4 | 0 | 0 | 0 | 110.8 | T27 I34 K35 N78 I81 | T27-F31 HydrophobicContact CG2-CB 4.14Å; T27-F31 PolarHBondContact O-N 3.39Å; T27-F31 VanDerWaalsContact O-N 3.14Å; F31-I34 HydrophobicContact CB-CB 4.19Å; F31-I34 HydrophobicContact CB-CD1 3.7Å; F31-I34 HydrophobicContact CB-CG1 3.96Å; F31-I34 HydrophobicContact CD1-CD1 4.16Å; F31-I34 HydrophobicContact CG-CD1 4.09Å; F31-I34 PolarHBondContact O-N 3.06Å; F31-I34 VanDerWaalsContact O-N 3.11Å; F31-K35 PolarHBondContact O-N 3.21Å; F31-K35 VanDerWaalsContact O-N 3.14Å; F31-N78 HydrophobicContact CE2-CB 4.2Å; F31-N78 HydrophobicContact CZ-CB 4.21Å; F31-I81 HydrophobicContact CD2-CD1 3.33Å; F31-I81 HydrophobicContact CE2-CD1 3.39Å; F31-I81 HydrophobicContact CG-CD1 4.31Å; F31-I81 HydrophobicContact CZ-CD1 4.4Å | ||
| 32 | V | 81.4 | Confident | 84.3 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.1 | -43.4 | -176.1 | -177.1 | 0 | 0 | 0 | 0 | 113.4 | I34 K35 E36 | V32-I34 VanDerWaalsContact C-N 3.26Å; V32-I34 PolarHBondContact O-N 3.45Å; V32-K35 WeakPolarHBondContact O-CB 3.5Å; V32-K35 PolarHBondContact O-N 3.04Å; V32-K35 VanDerWaalsContact O-N 3.11Å; V32-E36 HydrophobicContact CG1-CG 4.23Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.45Å; V32-E36 WeakPolarHBondContact O-CG 3.46Å; V32-E36 PolarHBondContact O-N 2.81Å |
| 33 | P | 83.7 | Confident | 84 | Confident | 93 Ų | 93 | 68 Ų | 68 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.1 | -34.5 | 178.3 | -24.8 | 35.5 | 0 | 0 | 0 | 113.5 | A37 | P33-A37 VanDerWaalsContact O-CB 3.25Å; P33-A37 WeakPolarHBondContact O-CB 3.26Å; P33-A37 PolarHBondContact O-N 3.36Å |
| 34 | I | 84.2 | Confident | 83.7 | Confident | 14 Ų | 14 | 71.9 Ų | 71.9 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.2 | -40 | 178.3 | -50.3 | -177.3 | 0 | 0 | 0 | 109.8 | L23 T27 F31 V32 T38 S72 | L23-I34 HydrophobicContact CD1-CG2 4.33Å; L23-I34 HydrophobicContact CD2-CG2 4.22Å; L23-I34 HydrophobicContact CG-CG2 4.42Å; T27-I34 HydrophobicContact CG2-CB 4.15Å; T27-I34 HydrophobicContact CG2-CG2 4.03Å; F31-I34 HydrophobicContact CB-CB 4.19Å; F31-I34 HydrophobicContact CB-CD1 3.7Å; F31-I34 HydrophobicContact CB-CG1 3.96Å; F31-I34 HydrophobicContact CD1-CD1 4.16Å; F31-I34 HydrophobicContact CG-CD1 4.09Å; F31-I34 PolarHBondContact O-N 3.06Å; F31-I34 VanDerWaalsContact O-N 3.11Å; V32-I34 VanDerWaalsContact C-N 3.26Å; V32-I34 PolarHBondContact O-N 3.45Å; I34-T38 WeakPolarHBondContact O-CB 3.35Å; I34-T38 PolarHBondContact O-N 2.99Å; I34-T38 PolarHBondContact O-OG1 3.39Å; I34-S72 WeakPolarHBondContact CD1-O 2.98Å |
| 35 | K | 84.1 | Confident | 83.5 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 174 | -177.7 | -163.1 | 172.2 | -88.7 | 0 | 111.2 | I24 F31 V32 T38 E39 | I24-K35 HydrophobicContact CG2-CG 4.22Å; F31-K35 PolarHBondContact O-N 3.21Å; F31-K35 VanDerWaalsContact O-N 3.14Å; V32-K35 WeakPolarHBondContact O-CB 3.5Å; V32-K35 PolarHBondContact O-N 3.04Å; V32-K35 VanDerWaalsContact O-N 3.11Å; K35-T38 WeakPolarHBondContact O-CB 3.32Å; K35-T38 PolarHBondContact O-N 3.12Å; K35-T38 VanDerWaalsContact O-N 3.17Å; K35-E39 WeakPolarHBondContact CE-OE1 3.49Å; K35-E39 IonicContact NZ-OE1 2.8Å; K35-E39 PolarHBondContact NZ-OE1 3.37Å; K35-E39 IonicContact NZ-OE2 2.69Å; K35-E39 PolarHBondContact NZ-OE2 3.07Å; K35-E39 WeakPolarHBondContact O-CG 3.48Å; K35-E39 PolarHBondContact O-N 3.16Å |
| 36 | E | 84.8 | Confident | 83.3 | Confident | 116 Ų | 116 | 74.8 Ų | 74.8 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | -178.6 | -70.2 | 171.5 | 171.9 | 0 | 0 | 111.7 | V32 T38 E39 S40 | V32-E36 HydrophobicContact CG1-CG 4.23Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.45Å; V32-E36 WeakPolarHBondContact O-CG 3.46Å; V32-E36 PolarHBondContact O-N 2.81Å; E36-T38 VanDerWaalsContact C-N 3.28Å; E36-T38 PolarHBondContact O-N 3.35Å; E36-E39 PolarHBondContact O-N 2.87Å; E36-S40 PolarHBondContact O-N 2.7Å |
| 37 | A | 85.3 | Confident | 83.1 | Confident | 30 Ų | 30 | 74 Ų | 74 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P33 S40 P69 | P33-A37 VanDerWaalsContact O-CB 3.25Å; P33-A37 WeakPolarHBondContact O-CB 3.26Å; P33-A37 PolarHBondContact O-N 3.36Å; A37-S40 PolarHBondContact O-N 2.97Å; A37-S40 PolarHBondContact O-OG 3.22Å; A37-P69 HydrophobicContact CB-CB 4.18Å; A37-P69 HydrophobicContact CB-CG 4.1Å |
| 38 | T | 87.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 178.2 | -51.5 | 0 | 0 | 0 | 0 | 112.4 | Y20 L23 I24 I34 K35 E36 S40 Q41 P69 | Y20-T38 HydrophobicContact CD1-CG2 3.52Å; Y20-T38 HydrophobicContact CE1-CG2 4.4Å; Y20-T38 HydrophobicContact CG-CG2 3.8Å; L23-T38 HydrophobicContact CB-CG2 4.49Å; L23-T38 HydrophobicContact CD2-CG2 4.24Å; L23-T38 WeakPolarHBondContact CD2-OG1 3.36Å; I24-T38 HydrophobicContact CD1-CG2 3.82Å; I24-T38 HydrophobicContact CG1-CG2 3.65Å; I34-T38 WeakPolarHBondContact O-CB 3.35Å; I34-T38 PolarHBondContact O-N 2.99Å; I34-T38 PolarHBondContact O-OG1 3.39Å; K35-T38 WeakPolarHBondContact O-CB 3.32Å; K35-T38 PolarHBondContact O-N 3.12Å; K35-T38 VanDerWaalsContact O-N 3.17Å; E36-T38 VanDerWaalsContact C-N 3.28Å; E36-T38 PolarHBondContact O-N 3.35Å; T38-S40 VanDerWaalsContact C-N 3.26Å; T38-S40 PolarHBondContact O-N 3.11Å; T38-Q41 PolarHBondContact O-N 3.14Å; T38-P69 WeakPolarHBondContact OG1-CB 3.39Å |
| 39 | E | 86.6 | Confident | 82.4 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 178.2 | -75.5 | 173.2 | 162.9 | 0 | 0 | 111.8 | I24 K35 E36 Q41 P43 | I24-E39 HydrophobicContact CD1-CG 3.52Å; I24-E39 HydrophobicContact CG1-CG 3.99Å; K35-E39 WeakPolarHBondContact CE-OE1 3.49Å; K35-E39 IonicContact NZ-OE1 2.8Å; K35-E39 PolarHBondContact NZ-OE1 3.37Å; K35-E39 IonicContact NZ-OE2 2.69Å; K35-E39 PolarHBondContact NZ-OE2 3.07Å; K35-E39 WeakPolarHBondContact O-CG 3.48Å; K35-E39 PolarHBondContact O-N 3.16Å; E36-E39 PolarHBondContact O-N 2.87Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.31Å; E39-P43 VanDerWaalsContact O-CD 3.26Å; E39-P43 WeakPolarHBondContact O-CD 3.47Å |
| 40 | S | 86.5 | Confident | 82.5 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.4 | -29.3 | 176.3 | 79 | 0 | 0 | 0 | 0 | 114.5 | E36 A37 T38 P43 | E36-S40 PolarHBondContact O-N 2.7Å; A37-S40 PolarHBondContact O-N 2.97Å; A37-S40 PolarHBondContact O-OG 3.22Å; T38-S40 VanDerWaalsContact C-N 3.26Å; T38-S40 PolarHBondContact O-N 3.11Å; S40-P43 WeakPolarHBondContact O-CD 3.46Å; S40-P43 WeakPolarHBondContact O-CG 3.43Å |
| 41 | Q | 86.5 | Confident | 81.9 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -83.6 | -24.4 | -177.1 | -61 | -47.6 | -57.5 | 0 | 0 | 113.3 | Y20 T38 E39 K44 L45 S65 L66 P69 | Y20-Q41 HydrophobicContact CE1-CB 4.48Å; Y20-Q41 HydrophobicContact CE2-CB 3.94Å; T38-Q41 PolarHBondContact O-N 3.14Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.31Å; Q41-K44 PolarHBondContact O-N 3.14Å; Q41-L45 WeakPolarHBondContact O-CB 3.35Å; Q41-L45 PolarHBondContact O-N 3.34Å; Q41-S65 WeakPolarHBondContact CG-O 3.47Å; Q41-S65 PolarHBondContact OE1-O 2.86Å; Q41-L66 HydrophobicContact CB-CD2 4.26Å; Q41-P69 HydrophobicContact CG-CG 3.75Å |
| 42 | I | 85.3 | Confident | 80.8 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56 | -48.4 | 179 | -69.2 | 173.8 | 0 | 0 | 0 | 113.8 | L17 Y20 I24 R46 | L17-I42 HydrophobicContact CD2-CG2 4.08Å; Y20-I42 HydrophobicContact CD2-CG1 3.93Å; Y20-I42 HydrophobicContact CG-CG1 4.4Å; I24-I42 HydrophobicContact CD1-CD1 3.58Å; I42-R46 VanDerWaalsContact CG2-NH2 3.33Å; I42-R46 PolarHBondContact O-N 3.49Å |
| 43 | P | 83.5 | Confident | 79.8 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 176.5 | 25.6 | -33.6 | 0 | 0 | 0 | 112.2 | E39 S40 L45 R46 A47 | E39-P43 VanDerWaalsContact O-CD 3.26Å; E39-P43 WeakPolarHBondContact O-CD 3.47Å; S40-P43 WeakPolarHBondContact O-CD 3.46Å; S40-P43 WeakPolarHBondContact O-CG 3.43Å; P43-L45 VanDerWaalsContact C-N 3.33Å; P43-L45 PolarHBondContact O-N 3.06Å; P43-R46 PolarHBondContact O-N 3.02Å; P43-A47 PolarHBondContact O-N 3.39Å |
| 44 | K | 81.8 | Confident | 78.9 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.9 | -171 | 174.9 | -175.6 | 177.2 | 0 | 111.5 | Q41 R46 A47 I48 S65 | Q41-K44 PolarHBondContact O-N 3.14Å; K44-R46 PolarHBondContact O-N 3.03Å; K44-A47 WeakPolarHBondContact O-CB 3.17Å; K44-A47 PolarHBondContact O-N 3.39Å; K44-I48 HydrophobicContact CG-CD1 4.38Å; K44-I48 WeakPolarHBondContact O-CG1 3.42Å; K44-I48 PolarHBondContact O-N 3.16Å; K44-I48 VanDerWaalsContact O-N 3.15Å; K44-S65 PolarHBondContact NZ-OG 3.32Å |
| 45 | L | 81.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 178 | -167.6 | 59.1 | 0 | 0 | 0 | 112.5 | T13 V16 L17 Y20 Q41 P43 I48 I49 L59 L66 | T13-L45 HydrophobicContact CG2-CD1 3.41Å; T13-L45 VanDerWaalsContact CG2-CD1 3.41Å; T13-L45 HydrophobicContact CG2-CD2 3.95Å; T13-L45 HydrophobicContact CG2-CG 3.55Å; V16-L45 HydrophobicContact CB-CD2 4.01Å; V16-L45 HydrophobicContact CG1-CD2 3.63Å; L17-L45 HydrophobicContact CD2-CD2 3.99Å; L17-L45 HydrophobicContact CG-CD2 3.81Å; L17-L45 HydrophobicContact CG-CG 4.48Å; Y20-L45 HydrophobicContact CD2-CD2 4.19Å; Y20-L45 HydrophobicContact CE2-CD2 3.7Å; Q41-L45 WeakPolarHBondContact O-CB 3.35Å; Q41-L45 PolarHBondContact O-N 3.34Å; P43-L45 VanDerWaalsContact C-N 3.33Å; P43-L45 PolarHBondContact O-N 3.06Å; L45-I48 PolarHBondContact O-N 2.95Å; L45-I49 WeakPolarHBondContact O-CG1 3.3Å; L45-I49 PolarHBondContact O-N 3.02Å; L45-L59 HydrophobicContact CD1-CD2 3.91Å; L45-L66 HydrophobicContact CB-CD2 4.18Å; L45-L66 HydrophobicContact CD1-CD1 3.9Å; L45-L66 HydrophobicContact CD1-CD2 4.04Å |
| 46 | R | 83 | Confident | 77.8 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 54% | 0.54 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -35.4 | 173.1 | -72.8 | -171.6 | -118.7 | 170.5 | -1 | 113.1 | I42 P43 K44 I48 I49 N50 | I42-R46 VanDerWaalsContact CG2-NH2 3.33Å; I42-R46 PolarHBondContact O-N 3.49Å; P43-R46 PolarHBondContact O-N 3.02Å; K44-R46 PolarHBondContact O-N 3.03Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 2.89Å; R46-I49 PolarHBondContact O-N 3.46Å; R46-N50 PolarHBondContact O-N 3.1Å |
| 47 | A | 78.9 | Confident | 77.3 | Confident | 60 Ų | 60 | 70 Ų | 70 | 50% | 0.496 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P43 K44 N50 S51 | P43-A47 PolarHBondContact O-N 3.39Å; K44-A47 WeakPolarHBondContact O-CB 3.17Å; K44-A47 PolarHBondContact O-N 3.39Å; A47-N50 PolarHBondContact O-N 2.62Å; A47-S51 PolarHBondContact O-N 2.94Å |
| 48 | I | 74.9 | Confident | 76.7 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 176.6 | -63.7 | 161.6 | 0 | 0 | 0 | 112.2 | K44 L45 R46 N50 S51 L55 A58 L59 L66 | K44-I48 HydrophobicContact CG-CD1 4.38Å; K44-I48 WeakPolarHBondContact O-CG1 3.42Å; K44-I48 PolarHBondContact O-N 3.16Å; K44-I48 VanDerWaalsContact O-N 3.15Å; L45-I48 PolarHBondContact O-N 2.95Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 2.89Å; I48-N50 PolarHBondContact O-N 3.12Å; I48-S51 PolarHBondContact O-OG 2.93Å; I48-L55 HydrophobicContact CG2-CD1 4.06Å; I48-L55 WeakPolarHBondContact O-CD1 3.45Å; I48-A58 HydrophobicContact CG2-CB 3.92Å; I48-L59 HydrophobicContact CG2-CD2 3.86Å; I48-L59 HydrophobicContact CG2-CG 3.87Å; I48-L66 HydrophobicContact CD1-CD1 4.2Å |
| 49 | I | 75.7 | Confident | 76.3 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -33.1 | 173.8 | -65.4 | 165.8 | 0 | 0 | 0 | 111.4 | L10 T13 L17 L45 R46 | L10-I49 HydrophobicContact CD2-CG2 4.05Å; T13-I49 HydrophobicContact CG2-CD1 3.61Å; T13-I49 HydrophobicContact CG2-CG1 3.6Å; L17-I49 HydrophobicContact CD1-CD1 4.05Å; L45-I49 WeakPolarHBondContact O-CG1 3.3Å; L45-I49 PolarHBondContact O-N 3.02Å; R46-I49 PolarHBondContact O-N 3.46Å |
| 50 | N | 76.1 | Confident | 75.8 | Confident | 132 Ų | 132 | 69.2 Ų | 69.2 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 0.8 | -173.7 | -66.8 | -1.1 | 0 | 0 | 0 | 114.1 | R46 A47 I48 | R46-N50 PolarHBondContact O-N 3.1Å; A47-N50 PolarHBondContact O-N 2.62Å; I48-N50 PolarHBondContact O-N 3.12Å |
| 51 | S | 64.8 | Low | 75.3 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | trans | -95.2 | 130.8 | -177.9 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | A47 I48 T53 | A47-S51 PolarHBondContact O-N 2.94Å; I48-S51 PolarHBondContact O-OG 2.93Å; S51-T53 PolarHBondContact O-N 2.92Å; S51-T53 PolarHBondContact OG-OG1 3.4Å | ||
| 52 | D | 60.7 | Low | 75 | Confident | 180 Ų | 180 | 69.1 Ų | 69.1 | 96% | 0.963 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -66.2 | -2.8 | -179.6 | -72.2 | -40 | 0 | 0 | 0 | 115.6 | ||
| 53 | T | 59.9 | Low | 74.9 | Confident | 83 Ų | 83 | 68 Ų | 68 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -64.7 | 151.7 | 169.7 | 48.2 | 0 | 0 | 0 | 0 | 111.1 | S51 L55 | S51-T53 PolarHBondContact O-N 2.92Å; S51-T53 PolarHBondContact OG-OG1 3.4Å; T53-L55 PolarHBondContact O-N 3.19Å |
| 54 | E | 64.6 | Low | 74.8 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | trans | -51.8 | 111 | 174 | -70.6 | -154.7 | 174.2 | 0 | 0 | 110.6 | R56 E57 A58 | E54-R56 PolarHBondContact O-N 3.37Å; E54-E57 HydrophobicContact CB-CG 4.24Å; E54-E57 PolarHBondContact O-N 3.02Å; E54-A58 PolarHBondContact O-N 3.35Å | ||
| 55 | L | 71.6 | Confident | 74.9 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -52.2 | -30.2 | -168.6 | -180 | 65.5 | 0 | 0 | 0 | 112.4 | L9 L10 I48 T53 L59 | L9-L55 HydrophobicContact CB-CD2 4.14Å; L9-L55 HydrophobicContact CD2-CB 3.99Å; L9-L55 HydrophobicContact CD2-CD2 3.92Å; L9-L55 HydrophobicContact CD2-CG 3.77Å; L9-L55 HydrophobicContact CG-CD2 4.06Å; L9-L55 HydrophobicContact CG-CG 4.28Å; L10-L55 HydrophobicContact CD2-CD2 3.9Å; L10-L55 HydrophobicContact CG-CD2 4.04Å; I48-L55 HydrophobicContact CG2-CD1 4.06Å; I48-L55 WeakPolarHBondContact O-CD1 3.45Å; T53-L55 PolarHBondContact O-N 3.19Å; L55-L59 HydrophobicContact CD1-CD1 4.34Å; L55-L59 HydrophobicContact CD1-CG 4.49Å; L55-L59 HydrophobicContact CG-CD1 4.1Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 WeakPolarHBondContact O-CD1 3.44Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.42Å; L55-L59 VanDerWaalsContact O-N 3.08Å |
| 56 | R | 74.3 | Confident | 75.1 | Confident | 96 Ų | 96 | 64 Ų | 64 | 36% | 0.362 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.2 | -47.6 | 177 | -170.9 | 177.4 | -176.1 | 142.9 | 8.2 | 113.3 | M1 L9 E54 L59 Q60 | M1-R56 HydrophobicContact SD-CB 4.42Å; L9-R56 HydrophobicContact CD2-CB 3.86Å; E54-R56 PolarHBondContact O-N 3.37Å; R56-L59 PolarHBondContact O-N 3.13Å; R56-Q60 WeakPolarHBondContact O-CB 3.33Å; R56-Q60 PolarHBondContact O-N 2.94Å |
| 57 | E | 73 | Confident | 75.3 | Confident | 135 Ų | 135 | 57.2 Ų | 57.2 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.9 | -42.9 | 179.1 | -62.5 | -166.2 | 143.9 | 0 | 0 | 110.8 | E54 L59 Q60 G61 | E54-E57 HydrophobicContact CB-CG 4.24Å; E54-E57 PolarHBondContact O-N 3.02Å; E57-L59 PolarHBondContact O-N 3.18Å; E57-Q60 PolarHBondContact O-N 3.21Å; E57-G61 PolarHBondContact O-N 3.46Å |
| 58 | A | 74.5 | Confident | 75.8 | Confident | 21 Ų | 21 | 57 Ų | 57 | 17% | 0.174 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I48 E54 S62 | I48-A58 HydrophobicContact CG2-CB 3.92Å; E54-A58 PolarHBondContact O-N 3.35Å; A58-S62 WeakPolarHBondContact O-CB 3.18Å; A58-S62 PolarHBondContact O-N 3.28Å; A58-S62 VanDerWaalsContact O-N 3.16Å; A58-S62 PolarHBondContact O-OG 2.9Å |
| 59 | L | 78.1 | Confident | 76.4 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 172.5 | -78.4 | 170.5 | 0 | 0 | 0 | 111.9 | L9 T13 L45 I48 L55 R56 E57 S62 C63 L66 | L9-L59 HydrophobicContact CD1-CD1 4.13Å; L9-L59 HydrophobicContact CD2-CD1 4.1Å; L9-L59 HydrophobicContact CG-CD1 3.87Å; T13-L59 HydrophobicContact CG2-CD2 4.45Å; L45-L59 HydrophobicContact CD1-CD2 3.91Å; I48-L59 HydrophobicContact CG2-CD2 3.86Å; I48-L59 HydrophobicContact CG2-CG 3.87Å; L55-L59 HydrophobicContact CD1-CD1 4.34Å; L55-L59 HydrophobicContact CD1-CG 4.49Å; L55-L59 HydrophobicContact CG-CD1 4.1Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.43Å; L55-L59 WeakPolarHBondContact O-CD1 3.44Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.42Å; L55-L59 VanDerWaalsContact O-N 3.08Å; R56-L59 PolarHBondContact O-N 3.13Å; E57-L59 PolarHBondContact O-N 3.18Å; L59-S62 PolarHBondContact O-N 2.94Å; L59-C63 WeakPolarHBondContact O-CA 3.44Å; L59-C63 WeakPolarHBondContact O-CB 3.33Å; L59-C63 PolarHBondContact O-N 2.68Å; L59-C63 VanDerWaalsContact O-N 3.08Å; L59-L66 HydrophobicContact CD2-CD1 4.23Å |
| 60 | Q | 76.2 | Confident | 77.1 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | -178.8 | -168.8 | 169.7 | -4 | 0 | 0 | 111.8 | R56 E57 S62 C63 | R56-Q60 WeakPolarHBondContact O-CB 3.33Å; R56-Q60 PolarHBondContact O-N 2.94Å; E57-Q60 PolarHBondContact O-N 3.21Å; Q60-S62 PolarHBondContact O-N 3.37Å; Q60-C63 WeakPolarHBondContact O-CB 3.49Å; Q60-C63 PolarHBondContact O-N 2.77Å |
| 61 | G | 76.5 | Confident | 77.8 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 67% | 0.67 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.4 | -31 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E57 | E57-G61 PolarHBondContact O-N 3.46Å |
| 62 | S | 79.6 | Confident | 78.7 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -88.3 | -4.7 | 176.1 | -70.5 | 0 | 0 | 0 | 0 | 114.5 | A58 L59 Q60 S64 S65 L66 | A58-S62 WeakPolarHBondContact O-CB 3.18Å; A58-S62 PolarHBondContact O-N 3.28Å; A58-S62 VanDerWaalsContact O-N 3.16Å; A58-S62 PolarHBondContact O-OG 2.9Å; L59-S62 PolarHBondContact O-N 2.94Å; Q60-S62 PolarHBondContact O-N 3.37Å; S62-S64 PolarHBondContact O-N 3.27Å; S62-S65 PolarHBondContact O-N 3.03Å; S62-S65 PolarHBondContact O-OG 3.43Å; S62-L66 PolarHBondContact O-N 3.47Å |
| 63 | C | 83.3 | Confident | 80 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | -163.7 | -168.2 | 0 | 0 | 0 | 0 | 114.3 | L59 Q60 S65 L66 I67 C97 | L59-C63 WeakPolarHBondContact O-CA 3.44Å; L59-C63 WeakPolarHBondContact O-CB 3.33Å; L59-C63 PolarHBondContact O-N 2.68Å; L59-C63 VanDerWaalsContact O-N 3.08Å; Q60-C63 WeakPolarHBondContact O-CB 3.49Å; Q60-C63 PolarHBondContact O-N 2.77Å; C63-S65 VanDerWaalsContact C-N 3.32Å; C63-S65 PolarHBondContact O-N 3.25Å; C63-L66 PolarHBondContact O-N 3.14Å; C63-L66 VanDerWaalsContact O-N 3.13Å; C63-I67 WeakPolarHBondContact O-CB 3.38Å; C63-I67 PolarHBondContact O-N 2.74Å; C63-I67 WeakPolarHBondContact SG-CD1 3.48Å; C63-C97 WeakPolarHBondContact CB-O 3.22Å; C63-C97 PolarHBondContact SG-O 2.84Å |
| 64 | S | 82.6 | Confident | 81.3 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.1 | -44.1 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | S62 S68 | S62-S64 PolarHBondContact O-N 3.27Å; S64-S68 PolarHBondContact O-N 3.24Å |
| 65 | S | 82.2 | Confident | 82.3 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.4 | -37.6 | 176.8 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | Q41 K44 S62 C63 I67 | Q41-S65 WeakPolarHBondContact CG-O 3.47Å; Q41-S65 PolarHBondContact OE1-O 2.86Å; K44-S65 PolarHBondContact NZ-OG 3.32Å; S62-S65 PolarHBondContact O-N 3.03Å; S62-S65 PolarHBondContact O-OG 3.43Å; C63-S65 VanDerWaalsContact C-N 3.32Å; C63-S65 PolarHBondContact O-N 3.25Å; S65-I67 VanDerWaalsContact C-N 3.33Å; S65-I67 PolarHBondContact O-N 3.02Å |
| 66 | L | 85.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.6 | -34.9 | 178.9 | -66 | 174.8 | 0 | 0 | 0 | 111.8 | Y20 Q41 L45 I48 L59 S62 C63 P69 F92 | Y20-L66 VanDerWaalsContact OH-C 3.29Å; Y20-L66 VanDerWaalsContact OH-CA 3.29Å; Y20-L66 WeakPolarHBondContact OH-CA 3.43Å; Y20-L66 WeakPolarHBondContact OH-CB 3.49Å; Y20-L66 PolarHBondContact OH-O 3.46Å; Q41-L66 HydrophobicContact CB-CD2 4.26Å; L45-L66 HydrophobicContact CB-CD2 4.18Å; L45-L66 HydrophobicContact CD1-CD1 3.9Å; L45-L66 HydrophobicContact CD1-CD2 4.04Å; I48-L66 HydrophobicContact CD1-CD1 4.2Å; L59-L66 HydrophobicContact CD2-CD1 4.23Å; S62-L66 PolarHBondContact O-N 3.47Å; C63-L66 PolarHBondContact O-N 3.14Å; C63-L66 VanDerWaalsContact O-N 3.13Å; L66-P69 WeakPolarHBondContact O-CD 3.25Å; L66-F92 HydrophobicContact CB-CE1 4.34Å; L66-F92 HydrophobicContact CB-CZ 4.26Å |
| 67 | I | 88.5 | Confident | 83 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -84.1 | -26 | -177.7 | -75.2 | -178 | 0 | 0 | 0 | 112.9 | C63 S65 P69 F70 L71 L89 F92 L98 V106 | C63-I67 WeakPolarHBondContact O-CB 3.38Å; C63-I67 PolarHBondContact O-N 2.74Å; C63-I67 WeakPolarHBondContact SG-CD1 3.48Å; S65-I67 VanDerWaalsContact C-N 3.33Å; S65-I67 PolarHBondContact O-N 3.02Å; I67-P69 VanDerWaalsContact C-CD 3.46Å; I67-P69 VanDerWaalsContact O-N 3.16Å; I67-F70 WeakPolarHBondContact O-CB 3.5Å; I67-F70 PolarHBondContact O-N 3.21Å; I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CD2 4.07Å; I67-L71 HydrophobicContact CG2-CG 3.62Å; I67-L71 PolarHBondContact O-N 3.47Å; I67-L71 VanDerWaalsContact O-N 3.12Å; I67-L89 HydrophobicContact CD1-CD2 4.39Å; I67-L89 HydrophobicContact CG1-CD2 4.44Å; I67-L89 HydrophobicContact CG2-CD2 3.55Å; I67-F92 HydrophobicContact CD1-CB 3.94Å; I67-F92 HydrophobicContact CD1-CD1 3.66Å; I67-F92 HydrophobicContact CD1-CD2 4.33Å; I67-F92 HydrophobicContact CD1-CE1 4.21Å; I67-F92 HydrophobicContact CD1-CG 3.72Å; I67-F92 HydrophobicContact CG1-CD1 3.81Å; I67-F92 HydrophobicContact CG1-CD2 4.12Å; I67-F92 HydrophobicContact CG1-CE1 3.87Å; I67-F92 HydrophobicContact CG1-CE2 4.19Å; I67-F92 HydrophobicContact CG1-CG 3.94Å; I67-F92 HydrophobicContact CG1-CZ 4.06Å; I67-L98 HydrophobicContact CD1-CD2 3.34Å; I67-V106 HydrophobicContact CG2-CG2 4.33Å |
| 68 | S | 88.1 | Confident | 83.6 | Confident | 55 Ų | 55 | 33.3 Ų | 33.3 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -44.9 | -46.3 | -178.6 | 174 | 0 | 0 | 0 | 0 | 115.3 | S64 F70 L71 S72 | S64-S68 PolarHBondContact O-N 3.24Å; S68-F70 VanDerWaalsContact C-N 3.34Å; S68-F70 PolarHBondContact O-N 3.05Å; S68-L71 PolarHBondContact O-N 2.99Å; S68-S72 PolarHBondContact O-N 2.99Å; S68-S72 PolarHBondContact O-OG 2.83Å |
| 69 | P | 87.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | 178.5 | -19.3 | 31.9 | 0 | 0 | 0 | 113.7 | L23 A37 T38 Q41 L66 I67 G73 | L23-P69 HydrophobicContact CD2-CB 4.43Å; A37-P69 HydrophobicContact CB-CB 4.18Å; A37-P69 HydrophobicContact CB-CG 4.1Å; T38-P69 WeakPolarHBondContact OG1-CB 3.39Å; Q41-P69 HydrophobicContact CG-CG 3.75Å; L66-P69 WeakPolarHBondContact O-CD 3.25Å; I67-P69 VanDerWaalsContact C-CD 3.46Å; I67-P69 VanDerWaalsContact O-N 3.16Å; P69-G73 PolarHBondContact O-N 2.66Å |
| 70 | F | 91.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | 175.3 | -61.5 | -60.2 | 0 | 0 | 0 | 111.4 | V16 D19 Y20 L23 I67 S68 G73 C74 C85 A88 L89 F92 | V16-F70 HydrophobicContact CG1-CE2 4.48Å; D19-F70 HydrophobicContact CB-CE1 4.32Å; D19-F70 HydrophobicContact CB-CZ 4.11Å; Y20-F70 AromaticContact CD1-CE1 3.94Å; Y20-F70 HydrophobicContact CD1-CE1 3.94Å; Y20-F70 AromaticContact CD1-CE2 3.72Å; Y20-F70 HydrophobicContact CD1-CE2 3.72Å; Y20-F70 AromaticContact CD1-CZ 3.26Å; Y20-F70 HydrophobicContact CD1-CZ 3.26Å; Y20-F70 HydrophobicContact CE1-CD2 4.08Å; Y20-F70 HydrophobicContact CE1-CE1 4.26Å; Y20-F70 AromaticContact CE1-CE2 3.24Å; Y20-F70 HydrophobicContact CE1-CE2 3.24Å; Y20-F70 AromaticContact CE1-CZ 3.35Å; Y20-F70 HydrophobicContact CE1-CZ 3.35Å; Y20-F70 HydrophobicContact CG-CZ 4.27Å; L23-F70 HydrophobicContact CD2-CD1 3.75Å; L23-F70 HydrophobicContact CD2-CE1 3.95Å; I67-F70 WeakPolarHBondContact O-CB 3.5Å; I67-F70 PolarHBondContact O-N 3.21Å; S68-F70 VanDerWaalsContact C-N 3.34Å; S68-F70 PolarHBondContact O-N 3.05Å; F70-G73 CarbonylContact O-C 3.42Å; F70-G73 WeakPolarHBondContact O-CA 3.4Å; F70-G73 PolarHBondContact O-N 3.37Å; F70-C74 PolarHBondContact O-N 2.85Å; F70-C74 PolarHBondContact O-SG 3.4Å; F70-C85 HydrophobicContact CB-CB 4.16Å; F70-C85 HydrophobicContact CD1-CB 4.36Å; F70-C85 WeakPolarHBondContact O-CB 3.49Å; F70-A88 HydrophobicContact CD1-CB 3.7Å; F70-A88 HydrophobicContact CD2-CB 4.19Å; F70-A88 HydrophobicContact CE1-CB 3.46Å; F70-A88 VanDerWaalsContact CE1-CB 3.46Å; F70-A88 HydrophobicContact CE2-CB 3.97Å; F70-A88 HydrophobicContact CG-CB 4.07Å; F70-A88 HydrophobicContact CZ-CB 3.59Å; F70-L89 HydrophobicContact CB-CD2 4.33Å; F70-L89 HydrophobicContact CB-CG 4.28Å; F70-F92 HydrophobicContact CD2-CE2 4.29Å; F70-F92 AromaticContact CE2-CE2 3.84Å; F70-F92 HydrophobicContact CE2-CE2 3.84Å |
| 71 | L | 89.5 | Confident | 84.9 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 175 | -64.3 | 176.7 | 0 | 0 | 0 | 111.7 | I67 S68 G73 C74 L75 L89 A105 V106 T109 | I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CD2 4.07Å; I67-L71 HydrophobicContact CG2-CG 3.62Å; I67-L71 PolarHBondContact O-N 3.47Å; I67-L71 VanDerWaalsContact O-N 3.12Å; S68-L71 PolarHBondContact O-N 2.99Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.21Å; L71-C74 WeakPolarHBondContact O-CB 3.36Å; L71-C74 PolarHBondContact O-N 3.46Å; L71-L75 PolarHBondContact O-N 3.15Å; L71-L89 HydrophobicContact CD2-CD1 4.3Å; L71-L89 HydrophobicContact CD2-CD2 4.35Å; L71-A105 HydrophobicContact CD1-CB 3.62Å; L71-V106 HydrophobicContact CD2-CB 4.43Å; L71-V106 HydrophobicContact CD2-CG2 3.84Å; L71-T109 HydrophobicContact CB-CG2 4.04Å; L71-T109 HydrophobicContact CD2-CG2 3.88Å; L71-T109 WeakPolarHBondContact CD2-OG1 3.41Å; L71-T109 HydrophobicContact CG-CG2 4.46Å |
| 72 | S | 84.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 38.1 Ų | 38.1 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -35.4 | 172.4 | -57 | 0 | 0 | 0 | 0 | 112 | I34 S68 L75 S76 | I34-S72 WeakPolarHBondContact CD1-O 2.98Å; S68-S72 PolarHBondContact O-N 2.99Å; S68-S72 PolarHBondContact O-OG 2.83Å; S72-L75 PolarHBondContact O-N 3.11Å; S72-S76 PolarHBondContact O-N 3.02Å |
| 73 | G | 87.1 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P69 F70 L71 L75 S76 I81 | P69-G73 PolarHBondContact O-N 2.66Å; F70-G73 CarbonylContact O-C 3.42Å; F70-G73 WeakPolarHBondContact O-CA 3.4Å; F70-G73 PolarHBondContact O-N 3.37Å; L71-G73 VanDerWaalsContact C-N 3.26Å; L71-G73 PolarHBondContact O-N 3.21Å; G73-L75 VanDerWaalsContact C-N 3.32Å; G73-L75 PolarHBondContact O-N 3.18Å; G73-S76 WeakPolarHBondContact O-CB 3.42Å; G73-S76 PolarHBondContact O-N 3.48Å; G73-S76 PolarHBondContact O-OG 3.23Å; G73-I81 WeakPolarHBondContact O-CG2 3.46Å |
| 74 | C | 86.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 174 | -73.8 | 0 | 0 | 0 | 0 | 112.3 | F70 L71 S76 I82 L113 | F70-C74 PolarHBondContact O-N 2.85Å; F70-C74 PolarHBondContact O-SG 3.4Å; L71-C74 WeakPolarHBondContact O-CB 3.36Å; L71-C74 PolarHBondContact O-N 3.46Å; C74-S76 PolarHBondContact O-N 2.69Å; C74-I82 VanDerWaalsContact O-CG1 3.31Å; C74-I82 WeakPolarHBondContact O-CG1 3.48Å; C74-L113 HydrophobicContact CB-CD1 3.95Å; C74-L113 WeakPolarHBondContact O-CD2 3.42Å |
| 75 | L | 85.5 | Confident | 86.6 | Confident | 78 Ų | 78 | 39 Ų | 39 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.5 | -178.2 | -58.7 | -178.5 | 0 | 0 | 0 | 114.5 | L71 S72 G73 K77 T109 Q112 | L71-L75 PolarHBondContact O-N 3.15Å; S72-L75 PolarHBondContact O-N 3.11Å; G73-L75 VanDerWaalsContact C-N 3.32Å; G73-L75 PolarHBondContact O-N 3.18Å; L75-K77 PolarHBondContact O-N 3.23Å; L75-K77 VanDerWaalsContact O-N 3.15Å; L75-T109 HydrophobicContact CD1-CG2 4.26Å; L75-T109 HydrophobicContact CD2-CG2 4.24Å; L75-T109 HydrophobicContact CG-CG2 4.22Å; L75-Q112 HydrophobicContact CD2-CB 4.12Å; L75-Q112 VanDerWaalsContact CD2-OE1 3.22Å |
| 76 | S | 83.8 | Confident | 86.9 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.8 | -179.6 | 69.3 | 0 | 0 | 0 | 0 | 115.6 | S72 G73 C74 N78 | S72-S76 PolarHBondContact O-N 3.02Å; G73-S76 WeakPolarHBondContact O-CB 3.42Å; G73-S76 PolarHBondContact O-N 3.48Å; G73-S76 PolarHBondContact O-OG 3.23Å; C74-S76 PolarHBondContact O-N 2.69Å; S76-N78 PolarHBondContact O-N 3.23Å; S76-N78 PolarHBondContact OG-N 3.02Å |
| 77 | K | 78.3 | Confident | 87.1 | Confident | 172 Ų | 172 | 40 Ų | 40 | 75% | 0.748 | 21% | 0.208 | S | C | * | . | trans | 57 | 6.6 | -170.6 | -58.5 | -173.8 | 179.4 | -176.7 | 0 | 115.2 | L75 | L75-K77 PolarHBondContact O-N 3.23Å; L75-K77 VanDerWaalsContact O-N 3.15Å | ||
| 78 | N | 85.1 | Confident | 87.1 | Confident | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | trans | -92.6 | 114.9 | 177.4 | 179.2 | -24.2 | 0 | 0 | 0 | 110.3 | F31 S76 K80 I81 I82 | F31-N78 HydrophobicContact CE2-CB 4.2Å; F31-N78 HydrophobicContact CZ-CB 4.21Å; S76-N78 PolarHBondContact O-N 3.23Å; S76-N78 PolarHBondContact OG-N 3.02Å; N78-K80 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 2.98Å; N78-K80 PolarHBondContact OD1-N 3.34Å; N78-I81 HydrophobicContact CB-CB 4.2Å; N78-I81 HydrophobicContact CB-CD1 3.97Å; N78-I81 HydrophobicContact CB-CG1 4.11Å; N78-I81 PolarHBondContact O-N 3.33Å; N78-I82 WeakPolarHBondContact O-CG1 3.41Å; N78-I82 PolarHBondContact O-N 2.9Å | ||
| 79 | Q | 84.9 | Confident | 87.2 | Confident | 119 Ų | 119 | 37.5 Ų | 37.5 | 56% | 0.556 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -48.4 | -47.3 | -178.1 | -164.7 | 179 | 8.7 | 0 | 0 | 113.3 | I81 I82 V83 E119 | Q79-I81 VanDerWaalsContact C-N 3.34Å; Q79-I81 PolarHBondContact O-N 3.44Å; Q79-I82 PolarHBondContact O-N 3.29Å; Q79-V83 WeakPolarHBondContact O-CB 3.49Å; Q79-V83 WeakPolarHBondContact O-CG2 3.22Å; Q79-V83 PolarHBondContact O-N 2.95Å; Q79-E119 HydrophobicContact CG-CG 3.93Å; Q79-E119 WeakPolarHBondContact CG-OE1 3.48Å; Q79-E119 PolarHBondContact NE2-OE1 3.12Å |
| 80 | K | 84.2 | Confident | 87.3 | Confident | 137 Ų | 137 | 39.1 Ų | 39.1 | 60% | 0.596 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -64.2 | -38.1 | -179.7 | -70.4 | -173 | 175.7 | -172.3 | 0 | 113.1 | E26 N78 L84 | E26-K80 VanDerWaalsContact OE1-CD 3.22Å; E26-K80 WeakPolarHBondContact OE1-CD 3.29Å; N78-K80 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 2.98Å; N78-K80 PolarHBondContact OD1-N 3.34Å; K80-L84 WeakPolarHBondContact O-CG 3.41Å; K80-L84 PolarHBondContact O-N 2.89Å; K80-L84 VanDerWaalsContact O-N 3.12Å |
| 81 | I | 86.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73 | -44.4 | 179.8 | -60.1 | 178.9 | 0 | 0 | 0 | 109.8 | L23 E26 T27 F31 G73 N78 Q79 V83 L84 C85 | L23-I81 HydrophobicContact CD1-CG2 3.88Å; E26-I81 HydrophobicContact CG-CD1 4.46Å; E26-I81 HydrophobicContact CG-CG1 3.77Å; T27-I81 HydrophobicContact CG2-CD1 4.16Å; F31-I81 HydrophobicContact CD2-CD1 3.33Å; F31-I81 HydrophobicContact CE2-CD1 3.39Å; F31-I81 HydrophobicContact CG-CD1 4.31Å; F31-I81 HydrophobicContact CZ-CD1 4.4Å; G73-I81 WeakPolarHBondContact O-CG2 3.46Å; N78-I81 HydrophobicContact CB-CB 4.2Å; N78-I81 HydrophobicContact CB-CD1 3.97Å; N78-I81 HydrophobicContact CB-CG1 4.11Å; N78-I81 PolarHBondContact O-N 3.33Å; Q79-I81 VanDerWaalsContact C-N 3.34Å; Q79-I81 PolarHBondContact O-N 3.44Å; I81-V83 VanDerWaalsContact C-N 3.28Å; I81-V83 PolarHBondContact O-N 2.91Å; I81-L84 PolarHBondContact O-N 2.89Å; I81-C85 WeakPolarHBondContact O-CB 3.26Å; I81-C85 PolarHBondContact O-N 3.35Å; I81-C85 PolarHBondContact O-SG 3.46Å |
| 82 | I | 87.7 | Confident | 86.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.1 | -48 | 173.1 | -68.8 | 164.5 | 0 | 0 | 0 | 110.1 | C74 N78 Q79 L84 C85 L86 L113 V118 E119 | C74-I82 VanDerWaalsContact O-CG1 3.31Å; C74-I82 WeakPolarHBondContact O-CG1 3.48Å; N78-I82 WeakPolarHBondContact O-CG1 3.41Å; N78-I82 PolarHBondContact O-N 2.9Å; Q79-I82 PolarHBondContact O-N 3.29Å; I82-L84 PolarHBondContact O-N 2.8Å; I82-C85 PolarHBondContact O-N 3.27Å; I82-L86 HydrophobicContact CG2-CD1 3.64Å; I82-L86 HydrophobicContact CG2-CG 4.13Å; I82-L86 WeakPolarHBondContact O-CB 3.38Å; I82-L86 VanDerWaalsContact O-CG 3.31Å; I82-L86 WeakPolarHBondContact O-CG 3.27Å; I82-L86 PolarHBondContact O-N 3.25Å; I82-L113 HydrophobicContact CD1-CD2 3.95Å; I82-L113 HydrophobicContact CG1-CD2 4.29Å; I82-L113 HydrophobicContact CG2-CD1 4.33Å; I82-L113 HydrophobicContact CG2-CD2 4.48Å; I82-V118 HydrophobicContact CD1-CG1 3.91Å; I82-E119 HydrophobicContact CG2-CB 4.3Å; I82-E119 HydrophobicContact CG2-CG 4.2Å |
| 83 | V | 89.6 | Confident | 87 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.2 | -51 | 177.3 | 160.7 | 0 | 0 | 0 | 0 | 112.3 | Q79 I81 T87 E119 R122 | Q79-V83 WeakPolarHBondContact O-CB 3.49Å; Q79-V83 WeakPolarHBondContact O-CG2 3.22Å; Q79-V83 PolarHBondContact O-N 2.95Å; I81-V83 VanDerWaalsContact C-N 3.28Å; I81-V83 PolarHBondContact O-N 2.91Å; V83-T87 WeakPolarHBondContact O-CB 3.36Å; V83-T87 PolarHBondContact O-N 2.86Å; V83-T87 PolarHBondContact O-OG1 3.03Å; V83-T87 VanDerWaalsContact O-OG1 3.08Å; V83-E119 HydrophobicContact CG2-CG 4.3Å; V83-E119 VanDerWaalsContact CG2-OE2 3.31Å; V83-E119 WeakPolarHBondContact CG2-OE2 3.39Å; V83-R122 VanDerWaalsContact CG1-CZ 3.48Å; V83-R122 VanDerWaalsContact CG2-NH1 3.33Å |
| 84 | L | 89.1 | Confident | 86.9 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.4 | -73.1 | 166.7 | 0 | 0 | 0 | 111.9 | E26 K80 I81 I82 T87 A88 | E26-L84 HydrophobicContact CB-CD1 4.08Å; E26-L84 HydrophobicContact CG-CD1 4.25Å; K80-L84 WeakPolarHBondContact O-CG 3.41Å; K80-L84 PolarHBondContact O-N 2.89Å; K80-L84 VanDerWaalsContact O-N 3.12Å; I81-L84 PolarHBondContact O-N 2.89Å; I82-L84 PolarHBondContact O-N 2.8Å; L84-T87 PolarHBondContact O-N 3.41Å; L84-A88 PolarHBondContact O-N 3Å |
| 85 | C | 90.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.6 | -43.8 | -177 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | F70 I81 I82 T87 A88 L89 | F70-C85 HydrophobicContact CB-CB 4.16Å; F70-C85 HydrophobicContact CD1-CB 4.36Å; F70-C85 WeakPolarHBondContact O-CB 3.49Å; I81-C85 WeakPolarHBondContact O-CB 3.26Å; I81-C85 PolarHBondContact O-N 3.35Å; I81-C85 PolarHBondContact O-SG 3.46Å; I82-C85 PolarHBondContact O-N 3.27Å; C85-T87 VanDerWaalsContact C-N 3.34Å; C85-T87 PolarHBondContact O-N 3.49Å; C85-A88 PolarHBondContact O-N 2.98Å; C85-L89 WeakPolarHBondContact O-CB 3.42Å; C85-L89 VanDerWaalsContact O-CG 3.27Å; C85-L89 WeakPolarHBondContact O-CG 3.43Å; C85-L89 PolarHBondContact O-N 3.45Å |
| 86 | L | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 173.8 | -71 | 177.2 | 0 | 0 | 0 | 111.4 | I82 A88 L89 Q90 L110 L113 R122 T126 | I82-L86 HydrophobicContact CG2-CD1 3.64Å; I82-L86 HydrophobicContact CG2-CG 4.13Å; I82-L86 WeakPolarHBondContact O-CB 3.38Å; I82-L86 VanDerWaalsContact O-CG 3.31Å; I82-L86 WeakPolarHBondContact O-CG 3.27Å; I82-L86 PolarHBondContact O-N 3.25Å; L86-A88 PolarHBondContact O-N 2.98Å; L86-L89 HydrophobicContact CD2-CD1 4.33Å; L86-L89 PolarHBondContact O-N 2.88Å; L86-Q90 WeakPolarHBondContact O-CB 3.46Å; L86-Q90 VanDerWaalsContact O-CG 3.23Å; L86-Q90 WeakPolarHBondContact O-CG 3.47Å; L86-Q90 PolarHBondContact O-N 3.39Å; L86-L110 HydrophobicContact CD2-CD2 3.74Å; L86-L113 HydrophobicContact CD2-CD1 4.35Å; L86-R122 HydrophobicContact CD1-CB 3.99Å; L86-R122 HydrophobicContact CD1-CG 4.16Å; L86-T126 HydrophobicContact CD2-CG2 4.27Å |
| 87 | T | 90.7 | Very high | 86.1 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 31% | 0.307 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.8 | -38.5 | 176.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | V83 L84 C85 Q90 R91 | V83-T87 WeakPolarHBondContact O-CB 3.36Å; V83-T87 PolarHBondContact O-N 2.86Å; V83-T87 PolarHBondContact O-OG1 3.03Å; V83-T87 VanDerWaalsContact O-OG1 3.08Å; L84-T87 PolarHBondContact O-N 3.41Å; C85-T87 VanDerWaalsContact C-N 3.34Å; C85-T87 PolarHBondContact O-N 3.49Å; T87-Q90 PolarHBondContact O-N 3.19Å; T87-R91 PolarHBondContact O-N 2.99Å |
| 88 | A | 88.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D19 F70 L84 C85 L86 Q90 R91 F92 | D19-A88 HydrophobicContact CB-CB 4.05Å; F70-A88 HydrophobicContact CD1-CB 3.7Å; F70-A88 HydrophobicContact CD2-CB 4.19Å; F70-A88 HydrophobicContact CE1-CB 3.46Å; F70-A88 VanDerWaalsContact CE1-CB 3.46Å; F70-A88 HydrophobicContact CE2-CB 3.97Å; F70-A88 HydrophobicContact CG-CB 4.07Å; F70-A88 HydrophobicContact CZ-CB 3.59Å; L84-A88 PolarHBondContact O-N 3Å; C85-A88 PolarHBondContact O-N 2.98Å; L86-A88 PolarHBondContact O-N 2.98Å; A88-Q90 VanDerWaalsContact C-N 3.3Å; A88-Q90 PolarHBondContact O-N 2.98Å; A88-R91 WeakPolarHBondContact O-CB 3.49Å; A88-R91 PolarHBondContact O-N 3.47Å; A88-F92 WeakPolarHBondContact O-CD2 3.49Å; A88-F92 PolarHBondContact O-N 3.39Å |
| 89 | L | 89.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.3 | -42.1 | 175.2 | -71.9 | 171.9 | 0 | 0 | 0 | 112.1 | I67 F70 L71 C85 L86 R91 F92 I93 V106 | I67-L89 HydrophobicContact CD1-CD2 4.39Å; I67-L89 HydrophobicContact CG1-CD2 4.44Å; I67-L89 HydrophobicContact CG2-CD2 3.55Å; F70-L89 HydrophobicContact CB-CD2 4.33Å; F70-L89 HydrophobicContact CB-CG 4.28Å; L71-L89 HydrophobicContact CD2-CD1 4.3Å; L71-L89 HydrophobicContact CD2-CD2 4.35Å; C85-L89 WeakPolarHBondContact O-CB 3.42Å; C85-L89 VanDerWaalsContact O-CG 3.27Å; C85-L89 WeakPolarHBondContact O-CG 3.43Å; C85-L89 PolarHBondContact O-N 3.45Å; L86-L89 HydrophobicContact CD2-CD1 4.33Å; L86-L89 PolarHBondContact O-N 2.88Å; L89-R91 VanDerWaalsContact C-N 3.25Å; L89-R91 PolarHBondContact O-N 3.28Å; L89-F92 WeakPolarHBondContact O-CB 3.2Å; L89-F92 PolarHBondContact O-N 3.02Å; L89-F92 VanDerWaalsContact O-N 3.12Å; L89-I93 VanDerWaalsContact O-CG1 3.32Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.06Å; L89-V106 HydrophobicContact CD2-CG2 3.92Å |
| 90 | Q | 89.6 | Confident | 85.9 | Confident | 34 Ų | 34 | 40.2 Ų | 40.2 | 16% | 0.159 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -33.1 | 174.5 | -73.1 | 168.9 | 0.7 | 0 | 0 | 112.6 | L86 T87 A88 N94 T126 L129 | L86-Q90 WeakPolarHBondContact O-CB 3.46Å; L86-Q90 VanDerWaalsContact O-CG 3.23Å; L86-Q90 WeakPolarHBondContact O-CG 3.47Å; L86-Q90 PolarHBondContact O-N 3.39Å; T87-Q90 PolarHBondContact O-N 3.19Å; A88-Q90 VanDerWaalsContact C-N 3.3Å; A88-Q90 PolarHBondContact O-N 2.98Å; Q90-N94 WeakPolarHBondContact O-CB 3.46Å; Q90-N94 PolarHBondContact O-N 3.37Å; Q90-N94 PolarHBondContact O-ND2 3.19Å; Q90-T126 HydrophobicContact CG-CG2 4.15Å; Q90-T126 PolarHBondContact NE2-OG1 3.08Å; Q90-L129 HydrophobicContact CB-CD2 3.78Å; Q90-L129 HydrophobicContact CG-CD2 3.9Å; Q90-L129 WeakPolarHBondContact O-CD2 3.41Å |
| 91 | R | 88.1 | Confident | 85.6 | Confident | 82 Ų | 82 | 39.5 Ų | 39.5 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 172.8 | -58.8 | -173.8 | -161.1 | -121.8 | 22.1 | 112.3 | F12 N15 D19 T87 A88 L89 I93 N94 Q95 | F12-R91 HydrophobicContact CD2-CB 4.23Å; F12-R91 HydrophobicContact CE2-CB 3.85Å; N15-R91 VanDerWaalsContact CG-NH1 3.28Å; N15-R91 PolarHBondContact OD1-NH1 3.22Å; D19-R91 IonicContact OD1-CZ 3.37Å; D19-R91 IonicContact OD1-NE 2.69Å; D19-R91 IonicContact OD1-NH2 3.96Å; D19-R91 PolarHBondContact OD1-NH2 2.95Å; D19-R91 VanDerWaalsContact OD2-CD 3.25Å; D19-R91 WeakPolarHBondContact OD2-CD 3.45Å; D19-R91 IonicContact OD2-CZ 2.69Å; D19-R91 IonicContact OD2-NE 2.61Å; D19-R91 PolarHBondContact OD2-NE 3.19Å; D19-R91 IonicContact OD2-NH2 2.75Å; T87-R91 PolarHBondContact O-N 2.99Å; A88-R91 WeakPolarHBondContact O-CB 3.49Å; A88-R91 PolarHBondContact O-N 3.47Å; L89-R91 VanDerWaalsContact C-N 3.25Å; L89-R91 PolarHBondContact O-N 3.28Å; R91-I93 VanDerWaalsContact C-N 3.31Å; R91-I93 PolarHBondContact O-N 2.68Å; R91-N94 PolarHBondContact O-N 3.5Å; R91-Q95 PolarHBondContact O-N 2.68Å |
| 92 | F | 85.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.6 | -84.1 | -91.4 | 0 | 0 | 0 | 112.2 | F12 V16 L66 I67 F70 A88 L89 C97 | F12-F92 HydrophobicContact CE2-CD2 4.46Å; F12-F92 HydrophobicContact CE2-CG 4.42Å; F12-F92 HydrophobicContact CZ-CB 4.47Å; F12-F92 AromaticContact CZ-CD1 3.74Å; F12-F92 HydrophobicContact CZ-CD1 3.74Å; F12-F92 HydrophobicContact CZ-CD2 4.17Å; F12-F92 AromaticContact CZ-CE1 3.95Å; F12-F92 HydrophobicContact CZ-CE1 3.95Å; F12-F92 HydrophobicContact CZ-CE2 4.35Å; F12-F92 AromaticContact CZ-CG 3.86Å; F12-F92 HydrophobicContact CZ-CG 3.86Å; F12-F92 HydrophobicContact CZ-CZ 4.25Å; V16-F92 HydrophobicContact CB-CE2 4.47Å; V16-F92 HydrophobicContact CG1-CE2 3.84Å; V16-F92 HydrophobicContact CG1-CZ 3.75Å; V16-F92 HydrophobicContact CG2-CD2 4.41Å; V16-F92 HydrophobicContact CG2-CE2 3.7Å; V16-F92 HydrophobicContact CG2-CZ 3.9Å; L66-F92 HydrophobicContact CB-CE1 4.34Å; L66-F92 HydrophobicContact CB-CZ 4.26Å; I67-F92 HydrophobicContact CD1-CB 3.94Å; I67-F92 HydrophobicContact CD1-CD1 3.66Å; I67-F92 HydrophobicContact CD1-CD2 4.33Å; I67-F92 HydrophobicContact CD1-CE1 4.21Å; I67-F92 HydrophobicContact CD1-CG 3.72Å; I67-F92 HydrophobicContact CG1-CD1 3.81Å; I67-F92 HydrophobicContact CG1-CD2 4.12Å; I67-F92 HydrophobicContact CG1-CE1 3.87Å; I67-F92 HydrophobicContact CG1-CE2 4.19Å; I67-F92 HydrophobicContact CG1-CG 3.94Å; I67-F92 HydrophobicContact CG1-CZ 4.06Å; F70-F92 HydrophobicContact CD2-CE2 4.29Å; F70-F92 AromaticContact CE2-CE2 3.84Å; F70-F92 HydrophobicContact CE2-CE2 3.84Å; A88-F92 WeakPolarHBondContact O-CD2 3.49Å; A88-F92 PolarHBondContact O-N 3.39Å; L89-F92 WeakPolarHBondContact O-CB 3.2Å; L89-F92 PolarHBondContact O-N 3.02Å; L89-F92 VanDerWaalsContact O-N 3.12Å; F92-C97 PolarHBondContact O-N 3.12Å |
| 93 | I | 86.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -50.5 | 175.3 | -63.8 | 161 | 0 | 0 | 0 | 110.5 | L89 R91 Q95 K96 L98 T126 L129 L130 | L89-I93 VanDerWaalsContact O-CG1 3.32Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.06Å; R91-I93 VanDerWaalsContact C-N 3.31Å; R91-I93 PolarHBondContact O-N 2.68Å; I93-Q95 VanDerWaalsContact C-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.21Å; I93-K96 PolarHBondContact O-N 3.49Å; I93-L98 HydrophobicContact CB-CD1 4.4Å; I93-L98 HydrophobicContact CG1-CD1 3.63Å; I93-T126 HydrophobicContact CD1-CG2 3.91Å; I93-L129 HydrophobicContact CB-CD2 4.04Å; I93-L129 HydrophobicContact CB-CG 4.33Å; I93-L129 HydrophobicContact CD1-CD2 4.44Å; I93-L129 HydrophobicContact CG2-CB 4.44Å; I93-L129 HydrophobicContact CG2-CD2 3.99Å; I93-L129 HydrophobicContact CG2-CG 3.71Å; I93-L129 WeakPolarHBondContact CG2-O 3.44Å; I93-L130 HydrophobicContact CD1-CB 3.99Å; I93-L130 HydrophobicContact CD1-CD1 3.94Å; I93-L130 HydrophobicContact CG1-CD1 3.84Å |
| 94 | N | 85.2 | Confident | 85.1 | Confident | 95 Ų | 95 | 42.5 Ų | 42.5 | 51% | 0.508 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.4 | -35.4 | -177.8 | -87 | -54.2 | 0 | 0 | 0 | 113.6 | Q90 R91 K96 | Q90-N94 WeakPolarHBondContact O-CB 3.46Å; Q90-N94 PolarHBondContact O-N 3.37Å; Q90-N94 PolarHBondContact O-ND2 3.19Å; R91-N94 PolarHBondContact O-N 3.5Å; N94-K96 VanDerWaalsContact C-N 3.3Å |
| 95 | Q | 83.9 | Confident | 85 | Confident | 64 Ų | 64 | 41.3 Ų | 41.3 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.8 | 179.1 | -66.6 | -68.3 | -10 | 0 | 0 | 113.9 | F12 R91 I93 C97 | F12-Q95 HydrophobicContact CB-CG 3.89Å; F12-Q95 HydrophobicContact CD1-CB 4.31Å; F12-Q95 HydrophobicContact CD1-CG 4.15Å; F12-Q95 HydrophobicContact CD2-CB 4.38Å; F12-Q95 HydrophobicContact CD2-CG 3.65Å; F12-Q95 HydrophobicContact CE1-CB 4.45Å; F12-Q95 HydrophobicContact CE2-CG 4.19Å; F12-Q95 HydrophobicContact CG-CB 4.27Å; F12-Q95 HydrophobicContact CG-CG 3.62Å; R91-Q95 PolarHBondContact O-N 2.68Å; I93-Q95 VanDerWaalsContact C-N 3.26Å; I93-Q95 PolarHBondContact O-N 3.21Å; Q95-C97 PolarHBondContact O-N 2.99Å; Q95-C97 PolarHBondContact O-SG 3.27Å; Q95-C97 VanDerWaalsContact O-SG 3.35Å |
| 96 | K | 78 | Confident | 84.9 | Confident | 120 Ų | 120 | 41.3 Ų | 41.3 | 52% | 0.522 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 40.6 | 179.9 | -54.8 | -176.8 | -178.3 | -174.2 | 0 | 112.6 | I93 N94 S133 | I93-K96 PolarHBondContact O-N 3.49Å; N94-K96 VanDerWaalsContact C-N 3.3Å; K96-S133 VanDerWaalsContact CE-O 3.26Å; K96-S133 WeakPolarHBondContact CE-O 3.13Å |
| 97 | C | 77.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | trans | -100.7 | 6.5 | 179.9 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | C63 F92 Q95 | C63-C97 WeakPolarHBondContact CB-O 3.22Å; C63-C97 PolarHBondContact SG-O 2.84Å; F92-C97 PolarHBondContact O-N 3.12Å; Q95-C97 PolarHBondContact O-N 2.99Å; Q95-C97 PolarHBondContact O-SG 3.27Å; Q95-C97 VanDerWaalsContact O-SG 3.35Å | ||
| 98 | L | 82 | Confident | 84.7 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -71.1 | 135.1 | 179.1 | -76.6 | 168.1 | 0 | 0 | 0 | 111.7 | I67 I93 A102 L130 L136 | I67-L98 HydrophobicContact CD1-CD2 3.34Å; I93-L98 HydrophobicContact CB-CD1 4.4Å; I93-L98 HydrophobicContact CG1-CD1 3.63Å; L98-A102 HydrophobicContact CD2-CB 4.1Å; L98-L130 HydrophobicContact CD1-CD1 3.66Å; L98-L136 WeakPolarHBondContact O-CD2 3.35Å | ||
| 99 | S | 82.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | trans | -83.1 | 165.9 | 160.7 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | A102 S103 | S99-A102 PolarHBondContact O-N 3.3Å; S99-A102 WeakPolarHBondContact OG-CB 3.31Å; S99-A102 PolarHBondContact OG-N 3.08Å; S99-S103 WeakPolarHBondContact O-CB 3.35Å; S99-S103 PolarHBondContact O-N 3.39Å | ||
| 100 | E | 79.3 | Confident | 84.8 | Confident | 133 Ų | 133 | 41.9 Ų | 41.9 | 62% | 0.621 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -61.5 | -52.4 | -178.9 | -164.7 | 166.6 | 177.9 | 0 | 0 | 111.5 | A102 S103 E104 L136 | E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 2.9Å; E100-S103 WeakPolarHBondContact O-CA 3.35Å; E100-S103 WeakPolarHBondContact O-CB 3.31Å; E100-S103 PolarHBondContact O-N 2.9Å; E100-S103 PolarHBondContact O-OG 3.4Å; E100-E104 PolarHBondContact O-N 2.89Å; E100-L136 HydrophobicContact CB-CD2 4.38Å |
| 101 | D | 79.1 | Confident | 84.7 | Confident | 121 Ų | 121 | 42.5 Ų | 42.5 | 65% | 0.647 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -54.8 | -42.4 | 175.3 | -47.5 | -35.9 | 0 | 0 | 0 | 112.8 | S103 E104 A105 | D101-S103 VanDerWaalsContact C-N 3.3Å; D101-S103 PolarHBondContact O-N 3.42Å; D101-E104 PolarHBondContact O-N 3.06Å; D101-A105 WeakPolarHBondContact O-CB 3.48Å; D101-A105 PolarHBondContact O-N 3.47Å |
| 102 | A | 84.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -36 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L98 S99 E100 A105 V106 | L98-A102 HydrophobicContact CD2-CB 4.1Å; S99-A102 PolarHBondContact O-N 3.3Å; S99-A102 WeakPolarHBondContact OG-CB 3.31Å; S99-A102 PolarHBondContact OG-N 3.08Å; E100-A102 VanDerWaalsContact C-N 3.29Å; E100-A102 PolarHBondContact O-N 2.9Å; A102-A105 PolarHBondContact O-N 3.48Å; A102-V106 VanDerWaalsContact O-CG2 3.26Å; A102-V106 WeakPolarHBondContact O-CG2 3.23Å; A102-V106 PolarHBondContact O-N 3.24Å |
| 103 | S | 82.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.7 | -39.1 | 177.2 | 80.9 | 0 | 0 | 0 | 0 | 112.5 | S99 E100 D101 V106 V107 I137 | S99-S103 WeakPolarHBondContact O-CB 3.35Å; S99-S103 PolarHBondContact O-N 3.39Å; E100-S103 WeakPolarHBondContact O-CA 3.35Å; E100-S103 WeakPolarHBondContact O-CB 3.31Å; E100-S103 PolarHBondContact O-N 2.9Å; E100-S103 PolarHBondContact O-OG 3.4Å; D101-S103 VanDerWaalsContact C-N 3.3Å; D101-S103 PolarHBondContact O-N 3.42Å; S103-V106 PolarHBondContact O-N 3.32Å; S103-V107 WeakPolarHBondContact O-CG2 3.16Å; S103-V107 PolarHBondContact O-N 2.84Å; S103-I137 WeakPolarHBondContact OG-CG1 3.49Å |
| 104 | E | 86.3 | Confident | 84.8 | Confident | 91 Ų | 91 | 43.1 Ų | 43.1 | 43% | 0.425 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 171.4 | 168.1 | 159.8 | -164.6 | 0 | 0 | 111.2 | E100 D101 V106 V107 S108 Q141 | E100-E104 PolarHBondContact O-N 2.89Å; D101-E104 PolarHBondContact O-N 3.06Å; E104-V106 VanDerWaalsContact C-N 3.31Å; E104-V106 PolarHBondContact O-N 3.45Å; E104-V107 PolarHBondContact O-N 3.2Å; E104-S108 WeakPolarHBondContact O-CB 3.43Å; E104-S108 PolarHBondContact O-N 3.05Å; E104-Q141 HydrophobicContact CB-CG 4.23Å; E104-Q141 HydrophobicContact CG-CG 4.19Å; E104-Q141 PolarHBondContact OE1-NE2 2.93Å; E104-Q141 PolarHBondContact OE2-NE2 2.91Å |
| 105 | A | 85.6 | Confident | 84.8 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 31% | 0.306 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L71 D101 A102 S108 T109 | L71-A105 HydrophobicContact CD1-CB 3.62Å; D101-A105 WeakPolarHBondContact O-CB 3.48Å; D101-A105 PolarHBondContact O-N 3.47Å; A102-A105 PolarHBondContact O-N 3.48Å; A105-S108 PolarHBondContact O-N 2.88Å; A105-T109 WeakPolarHBondContact O-CG2 3.41Å; A105-T109 PolarHBondContact O-N 3.46Å; A105-T109 PolarHBondContact O-OG1 2.97Å |
| 106 | V | 88.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -52.4 | 171.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | I67 L71 L89 A102 S103 E104 S108 T109 L110 L130 | I67-V106 HydrophobicContact CG2-CG2 4.33Å; L71-V106 HydrophobicContact CD2-CB 4.43Å; L71-V106 HydrophobicContact CD2-CG2 3.84Å; L89-V106 HydrophobicContact CD2-CG2 3.92Å; A102-V106 VanDerWaalsContact O-CG2 3.26Å; A102-V106 WeakPolarHBondContact O-CG2 3.23Å; A102-V106 PolarHBondContact O-N 3.24Å; S103-V106 PolarHBondContact O-N 3.32Å; E104-V106 VanDerWaalsContact C-N 3.31Å; E104-V106 PolarHBondContact O-N 3.45Å; V106-S108 VanDerWaalsContact C-N 3.31Å; V106-S108 PolarHBondContact O-N 3.31Å; V106-T109 PolarHBondContact O-N 2.88Å; V106-T109 PolarHBondContact O-OG1 3.34Å; V106-L110 HydrophobicContact CG1-CD1 3.8Å; V106-L110 HydrophobicContact CG1-CG 4.31Å; V106-L110 WeakPolarHBondContact O-CG 3.45Å; V106-L110 PolarHBondContact O-N 3.3Å; V106-L130 HydrophobicContact CG1-CD2 3.82Å |
| 107 | V | 88.9 | Confident | 85 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | S103 E104 T109 L110 W111 L130 I137 K144 A145 | S103-V107 WeakPolarHBondContact O-CG2 3.16Å; S103-V107 PolarHBondContact O-N 2.84Å; E104-V107 PolarHBondContact O-N 3.2Å; V107-T109 PolarHBondContact O-N 2.98Å; V107-L110 PolarHBondContact O-N 2.95Å; V107-W111 PolarHBondContact O-N 2.95Å; V107-L130 HydrophobicContact CG2-CD2 3.74Å; V107-I137 HydrophobicContact CG2-CD1 3.93Å; V107-K144 HydrophobicContact CG1-CB 3.96Å; V107-A145 HydrophobicContact CG1-CB 4.12Å; V107-A145 HydrophobicContact CG2-CB 4.21Å |
| 108 | S | 88.2 | Confident | 85.3 | Confident | 49 Ų | 49 | 44 Ų | 44 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | E104 A105 V106 W111 Q112 | E104-S108 WeakPolarHBondContact O-CB 3.43Å; E104-S108 PolarHBondContact O-N 3.05Å; A105-S108 PolarHBondContact O-N 2.88Å; V106-S108 VanDerWaalsContact C-N 3.31Å; V106-S108 PolarHBondContact O-N 3.31Å; S108-W111 WeakPolarHBondContact O-CB 3.32Å; S108-W111 PolarHBondContact O-N 3.49Å; S108-Q112 PolarHBondContact O-N 3.14Å; S108-Q112 VanDerWaalsContact O-N 3.14Å |
| 109 | T | 87.9 | Confident | 85.5 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -36.7 | 174.7 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | L71 L75 A105 V106 V107 W111 Q112 L113 | L71-T109 HydrophobicContact CB-CG2 4.04Å; L71-T109 HydrophobicContact CD2-CG2 3.88Å; L71-T109 WeakPolarHBondContact CD2-OG1 3.41Å; L71-T109 HydrophobicContact CG-CG2 4.46Å; L75-T109 HydrophobicContact CD1-CG2 4.26Å; L75-T109 HydrophobicContact CD2-CG2 4.24Å; L75-T109 HydrophobicContact CG-CG2 4.22Å; A105-T109 WeakPolarHBondContact O-CG2 3.41Å; A105-T109 PolarHBondContact O-N 3.46Å; A105-T109 PolarHBondContact O-OG1 2.97Å; V106-T109 PolarHBondContact O-N 2.88Å; V106-T109 PolarHBondContact O-OG1 3.34Å; V107-T109 PolarHBondContact O-N 2.98Å; T109-W111 VanDerWaalsContact C-N 3.3Å; T109-W111 PolarHBondContact O-N 3.23Å; T109-Q112 PolarHBondContact O-N 3.27Å; T109-L113 WeakPolarHBondContact O-CB 3.49Å; T109-L113 WeakPolarHBondContact O-CG 3.26Å; T109-L113 PolarHBondContact O-N 3.48Å |
| 110 | L | 90.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 174.6 | -68.7 | 171.4 | 0 | 0 | 0 | 111.4 | L86 V106 V107 L113 A114 I123 T126 L130 I148 | L86-L110 HydrophobicContact CD2-CD2 3.74Å; V106-L110 HydrophobicContact CG1-CD1 3.8Å; V106-L110 HydrophobicContact CG1-CG 4.31Å; V106-L110 WeakPolarHBondContact O-CG 3.45Å; V106-L110 PolarHBondContact O-N 3.3Å; V107-L110 PolarHBondContact O-N 2.95Å; L110-L113 PolarHBondContact O-N 2.96Å; L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 2.8Å; L110-I123 HydrophobicContact CB-CG2 4.39Å; L110-I123 HydrophobicContact CD2-CG2 4.08Å; L110-T126 HydrophobicContact CD1-CG2 4.22Å; L110-T126 HydrophobicContact CD2-CG2 4.16Å; L110-L130 HydrophobicContact CD1-CD2 4.1Å; L110-I148 HydrophobicContact CB-CD1 3.98Å |
| 111 | W | 88.5 | Confident | 86.2 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -51.2 | 173.9 | -175 | -81.4 | 0 | 0 | 0 | 111.9 | V107 S108 T109 L113 A114 E115 K144 T147 I148 | V107-W111 PolarHBondContact O-N 2.95Å; S108-W111 WeakPolarHBondContact O-CB 3.32Å; S108-W111 PolarHBondContact O-N 3.49Å; T109-W111 VanDerWaalsContact C-N 3.3Å; T109-W111 PolarHBondContact O-N 3.23Å; W111-L113 VanDerWaalsContact C-N 3.3Å; W111-L113 PolarHBondContact O-N 3.12Å; W111-A114 WeakPolarHBondContact O-CB 3.38Å; W111-A114 PolarHBondContact O-N 3.39Å; W111-A114 VanDerWaalsContact O-N 3.12Å; W111-E115 PolarHBondContact NE1-OE1 2.91Å; W111-E115 PolarHBondContact O-N 3.41Å; W111-K144 HydrophobicContact CE3-CB 3.98Å; W111-K144 HydrophobicContact CE3-CG 4.39Å; W111-K144 HydrophobicContact CZ3-CB 4.25Å; W111-K144 WeakPolarHBondContact CZ3-O 3.34Å; W111-T147 HydrophobicContact CH2-CG2 3.58Å; W111-T147 HydrophobicContact CZ3-CG2 3.75Å; W111-I148 HydrophobicContact CB-CD1 4.11Å; W111-I148 HydrophobicContact CB-CG1 4.49Å; W111-I148 HydrophobicContact CD2-CG1 4.36Å; W111-I148 HydrophobicContact CE3-CD1 4.15Å; W111-I148 HydrophobicContact CE3-CG1 3.57Å; W111-I148 HydrophobicContact CZ3-CG1 4.13Å |
| 112 | Q | 88 | Confident | 86.7 | Confident | 94 Ų | 94 | 41.2 Ų | 41.2 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 178.6 | -68.5 | 179.5 | -0.3 | 0 | 0 | 112.2 | L75 S108 T109 E115 S116 | L75-Q112 HydrophobicContact CD2-CB 4.12Å; L75-Q112 VanDerWaalsContact CD2-OE1 3.22Å; S108-Q112 PolarHBondContact O-N 3.14Å; S108-Q112 VanDerWaalsContact O-N 3.14Å; T109-Q112 PolarHBondContact O-N 3.27Å; Q112-E115 PolarHBondContact O-N 3.48Å; Q112-S116 PolarHBondContact O-N 3.2Å |
| 113 | L | 88 | Confident | 87 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 172.1 | -81 | 178.8 | 0 | 0 | 0 | 111.9 | C74 I82 L86 T109 L110 W111 E115 S116 N117 I123 | C74-L113 HydrophobicContact CB-CD1 3.95Å; C74-L113 WeakPolarHBondContact O-CD2 3.42Å; I82-L113 HydrophobicContact CD1-CD2 3.95Å; I82-L113 HydrophobicContact CG1-CD2 4.29Å; I82-L113 HydrophobicContact CG2-CD1 4.33Å; I82-L113 HydrophobicContact CG2-CD2 4.48Å; L86-L113 HydrophobicContact CD2-CD1 4.35Å; T109-L113 WeakPolarHBondContact O-CB 3.49Å; T109-L113 WeakPolarHBondContact O-CG 3.26Å; T109-L113 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 2.96Å; W111-L113 VanDerWaalsContact C-N 3.3Å; W111-L113 PolarHBondContact O-N 3.12Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 3.34Å; L113-S116 PolarHBondContact O-N 2.92Å; L113-S116 PolarHBondContact O-OG 3.06Å; L113-N117 PolarHBondContact O-N 2.99Å; L113-I123 HydrophobicContact CB-CD1 3.66Å; L113-I123 HydrophobicContact CB-CG1 4.08Å; L113-I123 HydrophobicContact CD1-CG1 4.5Å |
| 114 | A | 86.2 | Confident | 87.3 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L110 W111 S116 N117 I123 I148 | L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 2.8Å; W111-A114 WeakPolarHBondContact O-CB 3.38Å; W111-A114 PolarHBondContact O-N 3.39Å; W111-A114 VanDerWaalsContact O-N 3.12Å; A114-S116 VanDerWaalsContact C-N 3.26Å; A114-S116 PolarHBondContact O-N 2.72Å; A114-N117 PolarHBondContact O-N 3.42Å; A114-N117 PolarHBondContact O-OD1 3.34Å; A114-I123 HydrophobicContact CB-CD1 4.34Å; A114-I148 HydrophobicContact CB-CG1 4.38Å; A114-I148 HydrophobicContact CB-CG2 3.82Å |
| 115 | E | 85.1 | Confident | 87.5 | Confident | 100 Ų | 100 | 41.6 Ų | 41.6 | 47% | 0.467 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -27.7 | 172.1 | -73.3 | -175.1 | 156.8 | 0 | 0 | 113.7 | W111 Q112 L113 N117 K151 | W111-E115 PolarHBondContact NE1-OE1 2.91Å; W111-E115 PolarHBondContact O-N 3.41Å; Q112-E115 PolarHBondContact O-N 3.48Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 3.34Å; E115-N117 VanDerWaalsContact C-N 3.33Å; E115-K151 IonicContact OE1-NZ 3.91Å |
| 116 | S | 84.2 | Confident | 87.7 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 32% | 0.315 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -80.2 | -10.3 | 176.1 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | Q112 L113 A114 V118 | Q112-S116 PolarHBondContact O-N 3.2Å; L113-S116 PolarHBondContact O-N 2.92Å; L113-S116 PolarHBondContact O-OG 3.06Å; A114-S116 VanDerWaalsContact C-N 3.26Å; A114-S116 PolarHBondContact O-N 2.72Å; S116-V118 PolarHBondContact O-N 2.77Å |
| 117 | N | 82.4 | Confident | 87.7 | Confident | 111 Ų | 111 | 39.8 Ų | 39.8 | 59% | 0.594 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 41.3 | -175.5 | -49 | -62.3 | 0 | 0 | 0 | 113.9 | L113 A114 E115 | L113-N117 PolarHBondContact O-N 2.99Å; A114-N117 PolarHBondContact O-N 3.42Å; A114-N117 PolarHBondContact O-OD1 3.34Å; E115-N117 VanDerWaalsContact C-N 3.33Å |
| 118 | V | 83.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 41 Ų | 41 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | trans | -114.9 | 136.9 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | I82 S116 E120 I123 | I82-V118 HydrophobicContact CD1-CG1 3.91Å; S116-V118 PolarHBondContact O-N 2.77Å; V118-E120 PolarHBondContact O-N 3.42Å; V118-I123 WeakPolarHBondContact O-CD1 3.17Å | ||
| 119 | E | 85.1 | Confident | 87.9 | Confident | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 50.8 | 39 | 178.4 | -72.6 | -71 | 117.2 | 0 | 0 | 113.8 | Q79 I82 V83 L121 R122 I123 | Q79-E119 HydrophobicContact CG-CG 3.93Å; Q79-E119 WeakPolarHBondContact CG-OE1 3.48Å; Q79-E119 PolarHBondContact NE2-OE1 3.12Å; I82-E119 HydrophobicContact CG2-CB 4.3Å; I82-E119 HydrophobicContact CG2-CG 4.2Å; V83-E119 HydrophobicContact CG2-CG 4.3Å; V83-E119 VanDerWaalsContact CG2-OE2 3.31Å; V83-E119 WeakPolarHBondContact CG2-OE2 3.39Å; E119-L121 VanDerWaalsContact C-N 3.3Å; E119-L121 PolarHBondContact O-N 2.93Å; E119-L121 VanDerWaalsContact O-N 3.11Å; E119-R122 HydrophobicContact CB-CB 4.08Å; E119-R122 WeakPolarHBondContact O-CA 3.26Å; E119-R122 WeakPolarHBondContact O-CB 3.41Å; E119-R122 PolarHBondContact O-N 2.94Å; E119-R122 WeakPolarHBondContact OE2-CD 3.18Å; E119-R122 IonicContact OE2-NH1 2.85Å; E119-R122 PolarHBondContact OE2-NH1 3.48Å; E119-R122 VanDerWaalsContact OE2-NH1 3.08Å; E119-I123 PolarHBondContact O-N 3.09Å |
| 120 | E | 89.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -45.8 | -47.7 | -173 | -59.8 | 178.4 | 144.4 | 0 | 0 | 113.7 | V118 R122 I123 L124 L152 T160 | V118-E120 PolarHBondContact O-N 3.42Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.39Å; E120-I123 PolarHBondContact O-N 3.28Å; E120-L124 VanDerWaalsContact O-CB 3.3Å; E120-L124 WeakPolarHBondContact O-CB 3.39Å; E120-L124 PolarHBondContact O-N 3.22Å; E120-L152 HydrophobicContact CB-CD2 4.07Å; E120-L152 HydrophobicContact CG-CD2 3.98Å; E120-T160 HydrophobicContact CB-CG2 3.63Å; E120-T160 HydrophobicContact CG-CG2 4.31Å; E120-T160 VanDerWaalsContact OE2-CB 3.27Å; E120-T160 WeakPolarHBondContact OE2-CB 3.32Å; E120-T160 VanDerWaalsContact OE2-CG2 3.29Å; E120-T160 WeakPolarHBondContact OE2-CG2 3.27Å; E120-T160 PolarHBondContact OE2-OG1 3.02Å |
| 121 | L | 88.3 | Confident | 87.7 | Confident | 69 Ų | 69 | 39.8 Ų | 39.8 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.2 | -34.3 | 178.2 | -66.2 | 175.1 | 0 | 0 | 0 | 113 | E119 Q125 T163 | E119-L121 VanDerWaalsContact C-N 3.3Å; E119-L121 PolarHBondContact O-N 2.93Å; E119-L121 VanDerWaalsContact O-N 3.11Å; L121-Q125 WeakPolarHBondContact O-CB 3.44Å; L121-Q125 VanDerWaalsContact O-CG 3.24Å; L121-Q125 WeakPolarHBondContact O-CG 3.31Å; L121-Q125 PolarHBondContact O-N 3.12Å; L121-T163 HydrophobicContact CD2-CG2 4.29Å; L121-T163 WeakPolarHBondContact CD2-OG1 3.37Å |
| 122 | R | 88.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 40.7 Ų | 40.7 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -82.1 | -34.9 | -177.4 | -139.9 | -172.1 | -153.1 | 96.1 | 6.8 | 111.9 | V83 L86 E119 E120 L124 T126 | V83-R122 VanDerWaalsContact CG1-CZ 3.48Å; V83-R122 VanDerWaalsContact CG2-NH1 3.33Å; L86-R122 HydrophobicContact CD1-CB 3.99Å; L86-R122 HydrophobicContact CD1-CG 4.16Å; E119-R122 HydrophobicContact CB-CB 4.08Å; E119-R122 WeakPolarHBondContact O-CA 3.26Å; E119-R122 WeakPolarHBondContact O-CB 3.41Å; E119-R122 PolarHBondContact O-N 2.94Å; E119-R122 WeakPolarHBondContact OE2-CD 3.18Å; E119-R122 IonicContact OE2-NH1 2.85Å; E119-R122 PolarHBondContact OE2-NH1 3.48Å; E119-R122 VanDerWaalsContact OE2-NH1 3.08Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.39Å; R122-L124 VanDerWaalsContact C-N 3.33Å; R122-T126 WeakPolarHBondContact O-CB 3.33Å; R122-T126 PolarHBondContact O-N 3.23Å; R122-T126 VanDerWaalsContact O-N 3.13Å; R122-T126 PolarHBondContact O-OG1 2.91Å |
| 123 | I | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.4 | -55.1 | 165.1 | -61.4 | 171.9 | 0 | 0 | 0 | 108 | L110 L113 A114 V118 E119 E120 Q125 T126 T127 I148 L152 | L110-I123 HydrophobicContact CB-CG2 4.39Å; L110-I123 HydrophobicContact CD2-CG2 4.08Å; L113-I123 HydrophobicContact CB-CD1 3.66Å; L113-I123 HydrophobicContact CB-CG1 4.08Å; L113-I123 HydrophobicContact CD1-CG1 4.5Å; A114-I123 HydrophobicContact CB-CD1 4.34Å; V118-I123 WeakPolarHBondContact O-CD1 3.17Å; E119-I123 PolarHBondContact O-N 3.09Å; E120-I123 PolarHBondContact O-N 3.28Å; I123-Q125 PolarHBondContact O-N 3.02Å; I123-T126 CarbonylContact O-C 3.55Å; I123-T126 WeakPolarHBondContact O-CA 3.47Å; I123-T126 WeakPolarHBondContact O-CB 3.44Å; I123-T126 PolarHBondContact O-N 2.91Å; I123-T127 PolarHBondContact O-N 2.7Å; I123-T127 PolarHBondContact O-OG1 2.99Å; I123-I148 HydrophobicContact CG2-CG2 4.01Å; I123-L152 HydrophobicContact CG2-CD1 4.38Å |
| 124 | L | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | -175.8 | -165.2 | 93.5 | 0 | 0 | 0 | 112.7 | E120 R122 T126 T127 I128 C149 L152 T163 A164 A167 | E120-L124 VanDerWaalsContact O-CB 3.3Å; E120-L124 WeakPolarHBondContact O-CB 3.39Å; E120-L124 PolarHBondContact O-N 3.22Å; R122-L124 VanDerWaalsContact C-N 3.33Å; L124-T126 VanDerWaalsContact C-N 3.25Å; L124-T126 PolarHBondContact O-N 2.81Å; L124-T127 PolarHBondContact O-N 3.46Å; L124-I128 HydrophobicContact CD2-CD1 4.26Å; L124-I128 HydrophobicContact CG-CD1 4.23Å; L124-I128 VanDerWaalsContact O-CG1 3.24Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 3.13Å; L124-C149 HydrophobicContact CD1-CB 4.44Å; L124-L152 HydrophobicContact CB-CD1 4.32Å; L124-L152 HydrophobicContact CD1-CB 4.33Å; L124-L152 HydrophobicContact CD1-CD1 3.88Å; L124-T163 VanDerWaalsContact CD2-C 3.43Å; L124-T163 HydrophobicContact CD2-CG2 3.37Å; L124-T163 WeakPolarHBondContact CD2-O 3.33Å; L124-A164 HydrophobicContact CD1-CB 3.94Å; L124-A167 HydrophobicContact CD1-CB 3.73Å; L124-A167 HydrophobicContact CD2-CB 3.87Å; L124-A167 HydrophobicContact CG-CB 3.76Å |
| 125 | Q | 89.4 | Confident | 85.9 | Confident | 105 Ų | 105 | 41 Ų | 41 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.2 | -40.7 | 172.8 | -77.5 | 168.9 | -3.8 | 0 | 0 | 112.4 | L121 I123 L129 | L121-Q125 WeakPolarHBondContact O-CB 3.44Å; L121-Q125 VanDerWaalsContact O-CG 3.24Å; L121-Q125 WeakPolarHBondContact O-CG 3.31Å; L121-Q125 PolarHBondContact O-N 3.12Å; I123-Q125 PolarHBondContact O-N 3.02Å; Q125-L129 VanDerWaalsContact O-CB 3.32Å; Q125-L129 WeakPolarHBondContact O-CB 3.16Å; Q125-L129 PolarHBondContact O-N 3.48Å |
| 126 | T | 89.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.3 | -42.2 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | L86 Q90 I93 L110 R122 I123 L124 L129 L130 | L86-T126 HydrophobicContact CD2-CG2 4.27Å; Q90-T126 HydrophobicContact CG-CG2 4.15Å; Q90-T126 PolarHBondContact NE2-OG1 3.08Å; I93-T126 HydrophobicContact CD1-CG2 3.91Å; L110-T126 HydrophobicContact CD1-CG2 4.22Å; L110-T126 HydrophobicContact CD2-CG2 4.16Å; R122-T126 WeakPolarHBondContact O-CB 3.33Å; R122-T126 PolarHBondContact O-N 3.23Å; R122-T126 VanDerWaalsContact O-N 3.13Å; R122-T126 PolarHBondContact O-OG1 2.91Å; I123-T126 CarbonylContact O-C 3.55Å; I123-T126 WeakPolarHBondContact O-CA 3.47Å; I123-T126 WeakPolarHBondContact O-CB 3.44Å; I123-T126 PolarHBondContact O-N 2.91Å; L124-T126 VanDerWaalsContact C-N 3.25Å; L124-T126 PolarHBondContact O-N 2.81Å; T126-L129 PolarHBondContact O-N 3.35Å; T126-L130 WeakPolarHBondContact O-CB 3.43Å; T126-L130 PolarHBondContact O-N 2.74Å |
| 127 | T | 90.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -46.1 | 176 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | I123 L124 L129 L130 L131 A145 | I123-T127 PolarHBondContact O-N 2.7Å; I123-T127 PolarHBondContact O-OG1 2.99Å; L124-T127 PolarHBondContact O-N 3.46Å; T127-L129 PolarHBondContact O-N 3.23Å; T127-L130 PolarHBondContact O-N 3.07Å; T127-L131 HydrophobicContact CG2-CD1 4.13Å; T127-L131 HydrophobicContact CG2-CG 4.5Å; T127-L131 WeakPolarHBondContact O-CG 3.44Å; T127-L131 PolarHBondContact O-N 3.45Å; T127-A145 HydrophobicContact CG2-CB 4.31Å; T127-A145 WeakPolarHBondContact CG2-O 3.3Å |
| 128 | I | 89.7 | Confident | 85.1 | Confident | 25 Ų | 25 | 35.8 Ų | 35.8 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.1 | -51.5 | 174.7 | -64.8 | 161.6 | 0 | 0 | 0 | 109.9 | L124 L130 L131 T132 A167 | L124-I128 HydrophobicContact CD2-CD1 4.26Å; L124-I128 HydrophobicContact CG-CD1 4.23Å; L124-I128 VanDerWaalsContact O-CG1 3.24Å; L124-I128 WeakPolarHBondContact O-CG1 3.32Å; L124-I128 PolarHBondContact O-N 3.13Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 2.81Å; I128-L131 PolarHBondContact O-N 3.11Å; I128-T132 HydrophobicContact CG2-CG2 4.11Å; I128-T132 WeakPolarHBondContact O-CB 3.16Å; I128-T132 VanDerWaalsContact O-CG2 3.31Å; I128-T132 WeakPolarHBondContact O-CG2 3.48Å; I128-T132 PolarHBondContact O-N 3.4Å; I128-T132 PolarHBondContact O-OG1 3.2Å; I128-A167 HydrophobicContact CD1-CB 3.62Å; I128-A167 HydrophobicContact CG1-CB 3.59Å |
| 129 | L | 90.5 | Very high | 85.1 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 18% | 0.183 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | -178.2 | -172.7 | 72 | 0 | 0 | 0 | 111.4 | Q90 I93 Q125 T126 T127 T132 S133 | Q90-L129 HydrophobicContact CB-CD2 3.78Å; Q90-L129 HydrophobicContact CG-CD2 3.9Å; Q90-L129 WeakPolarHBondContact O-CD2 3.41Å; I93-L129 HydrophobicContact CB-CD2 4.04Å; I93-L129 HydrophobicContact CB-CG 4.33Å; I93-L129 HydrophobicContact CD1-CD2 4.44Å; I93-L129 HydrophobicContact CG2-CB 4.44Å; I93-L129 HydrophobicContact CG2-CD2 3.99Å; I93-L129 HydrophobicContact CG2-CG 3.71Å; I93-L129 WeakPolarHBondContact CG2-O 3.44Å; Q125-L129 VanDerWaalsContact O-CB 3.32Å; Q125-L129 WeakPolarHBondContact O-CB 3.16Å; Q125-L129 PolarHBondContact O-N 3.48Å; T126-L129 PolarHBondContact O-N 3.35Å; T127-L129 PolarHBondContact O-N 3.23Å; L129-T132 WeakPolarHBondContact CA-OG1 3.47Å; L129-T132 PolarHBondContact O-OG1 2.67Å; L129-S133 WeakPolarHBondContact CD1-OG 3.38Å; L129-S133 WeakPolarHBondContact O-CB 3.38Å; L129-S133 PolarHBondContact O-N 3.06Å; L129-S133 PolarHBondContact O-OG 3.48Å |
| 130 | L | 87.3 | Confident | 85 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 179.2 | -176.3 | 65.6 | 0 | 0 | 0 | 112 | I93 L98 V106 V107 L110 T126 T127 I128 I137 | I93-L130 HydrophobicContact CD1-CB 3.99Å; I93-L130 HydrophobicContact CD1-CD1 3.94Å; I93-L130 HydrophobicContact CG1-CD1 3.84Å; L98-L130 HydrophobicContact CD1-CD1 3.66Å; V106-L130 HydrophobicContact CG1-CD2 3.82Å; V107-L130 HydrophobicContact CG2-CD2 3.74Å; L110-L130 HydrophobicContact CD1-CD2 4.1Å; T126-L130 WeakPolarHBondContact O-CB 3.43Å; T126-L130 PolarHBondContact O-N 2.74Å; T127-L130 PolarHBondContact O-N 3.07Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 2.81Å; L130-I137 HydrophobicContact CD1-CD1 3.65Å; L130-I137 HydrophobicContact CD2-CD1 3.56Å; L130-I137 HydrophobicContact CG-CD1 3.34Å |
| 131 | L | 87 | Confident | 84.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -76.4 | -34.1 | -179.8 | -66.5 | -176.5 | 0 | 0 | 0 | 113.4 | T127 I128 I137 L142 A145 C171 R178 | T127-L131 HydrophobicContact CG2-CD1 4.13Å; T127-L131 HydrophobicContact CG2-CG 4.5Å; T127-L131 WeakPolarHBondContact O-CG 3.44Å; T127-L131 PolarHBondContact O-N 3.45Å; I128-L131 PolarHBondContact O-N 3.11Å; L131-I137 HydrophobicContact CD2-CG2 4.3Å; L131-L142 HydrophobicContact CD1-CD1 4.44Å; L131-L142 HydrophobicContact CD2-CD1 3.4Å; L131-L142 VanDerWaalsContact CD2-CD1 3.4Å; L131-A145 HydrophobicContact CD1-CB 4.04Å; L131-A145 HydrophobicContact CD2-CB 3.95Å; L131-A145 HydrophobicContact CG-CB 4.31Å; L131-C171 HydrophobicContact CD1-CB 3.89Å; L131-R178 PolarHBondContact O-NH2 3.19Å |
| 132 | T | 86.3 | Confident | 84.8 | Confident | 67 Ų | 67 | 32.9 Ų | 32.9 | 41% | 0.411 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -81.3 | -35.3 | -179.5 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | I128 L129 A174 | I128-T132 HydrophobicContact CG2-CG2 4.11Å; I128-T132 WeakPolarHBondContact O-CB 3.16Å; I128-T132 VanDerWaalsContact O-CG2 3.31Å; I128-T132 WeakPolarHBondContact O-CG2 3.48Å; I128-T132 PolarHBondContact O-N 3.4Å; I128-T132 PolarHBondContact O-OG1 3.2Å; L129-T132 WeakPolarHBondContact CA-OG1 3.47Å; L129-T132 PolarHBondContact O-OG1 2.67Å; T132-A174 HydrophobicContact CG2-CB 3.93Å |
| 133 | S | 81.3 | Confident | 84.7 | Confident | 27 Ų | 27 | 29.6 Ų | 29.6 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -84.9 | -24.9 | -173 | -53.4 | 0 | 0 | 0 | 0 | 114.3 | K96 L129 | K96-S133 VanDerWaalsContact CE-O 3.26Å; K96-S133 WeakPolarHBondContact CE-O 3.13Å; L129-S133 WeakPolarHBondContact CD1-OG 3.38Å; L129-S133 WeakPolarHBondContact O-CB 3.38Å; L129-S133 PolarHBondContact O-N 3.06Å; L129-S133 PolarHBondContact O-OG 3.48Å |
| 134 | S | 72.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | trans | -133.9 | 134 | -168.6 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | L136 R178 | S134-L136 WeakPolarHBondContact OG-CD1 3.31Å; S134-L136 PolarHBondContact OG-N 3.22Å; S134-R178 PolarHBondContact O-NH2 2.88Å | ||
| 135 | S | 72 | Confident | 84.4 | Confident | 69 Ų | 69 | 33.2 Ų | 33.2 | 48% | 0.483 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -94.4 | 6.6 | 174.3 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | R138 | S135-R138 PolarHBondContact O-NE 3.32Š|
| 136 | L | 73.7 | Confident | 84.4 | Confident | 54 Ų | 54 | 28.2 Ų | 28.2 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | trans | -68.2 | -34.8 | 179.7 | -82.3 | 89.6 | 0 | 0 | 0 | 112.9 | L98 E100 S134 R138 | L98-L136 WeakPolarHBondContact O-CD2 3.35Å; E100-L136 HydrophobicContact CB-CD2 4.38Å; S134-L136 WeakPolarHBondContact OG-CD1 3.31Å; S134-L136 PolarHBondContact OG-N 3.22Å; L136-R138 PolarHBondContact O-N 2.85Å | ||
| 137 | I | 80.7 | Confident | 84.3 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | trans | -81 | 110.8 | -175.1 | -66.1 | 161.1 | 0 | 0 | 0 | 109.9 | S103 V107 L130 L131 Q141 L142 R178 | S103-I137 WeakPolarHBondContact OG-CG1 3.49Å; V107-I137 HydrophobicContact CG2-CD1 3.93Å; L130-I137 HydrophobicContact CD1-CD1 3.65Å; L130-I137 HydrophobicContact CD2-CD1 3.56Å; L130-I137 HydrophobicContact CG-CD1 3.34Å; L131-I137 HydrophobicContact CD2-CG2 4.3Å; I137-Q141 HydrophobicContact CG2-CB 4.07Å; I137-L142 HydrophobicContact CG2-CB 4.03Å; I137-L142 HydrophobicContact CG2-CD1 4.34Å; I137-R178 PolarHBondContact O-NH1 2.89Å | ||
| 138 | R | 81.2 | Confident | 84.2 | Confident | 90 Ų | 90 | 28.2 Ų | 28.2 | 34% | 0.34 | 16% | 0.159 | S | C | . | . | trans | -125.8 | 164.2 | -178.1 | -63.9 | 173.5 | 173.4 | -145.1 | -17 | 111.1 | S135 L136 E182 S214 D217 | S135-R138 PolarHBondContact O-NE 3.32Å; L136-R138 PolarHBondContact O-N 2.85Å; R138-E182 IonicContact CZ-OE1 3.61Å; R138-E182 IonicContact NH1-OE1 3.98Å; R138-E182 PolarHBondContact NH1-OE1 2.98Å; R138-E182 IonicContact NH2-OE1 3.68Å; R138-E182 PolarHBondContact NH2-OE1 2.99Å; R138-S214 PolarHBondContact NH2-OG 3.15Å; R138-D217 VanDerWaalsContact CA-OD2 3.26Å; R138-D217 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 139 | G | 83.9 | Confident | 84.2 | Confident | 15 Ų | 15 | 27 Ų | 27 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | 58 | -131.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q141 L142 A143 D217 W236 | G139-Q141 VanDerWaalsContact C-N 3.27Å; G139-Q141 PolarHBondContact O-N 3.44Å; G139-L142 WeakPolarHBondContact O-CB 3.36Å; G139-L142 PolarHBondContact O-N 3.29Å; G139-A143 PolarHBondContact O-N 3.39Å; G139-D217 WeakPolarHBondContact CA-OD1 3.37Å; G139-D217 VanDerWaalsContact N-CG 3.31Å; G139-D217 PolarHBondContact N-OD1 3.42Å; G139-D217 PolarHBondContact N-OD2 2.92Å; G139-W236 WeakPolarHBondContact O-CZ2 3.42Å |
| 140 | P | 82.1 | Confident | 84.1 | Confident | 87 Ų | 87 | 25.9 Ų | 25.9 | 57% | 0.565 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -66.8 | -23.9 | -170.4 | 27.9 | -35.6 | 0 | 0 | 0 | 114 | K144 | P140-K144 WeakPolarHBondContact O-CG 3.42Å; P140-K144 PolarHBondContact O-N 3.37Å; P140-K144 VanDerWaalsContact O-N 3.12Å |
| 141 | Q | 86.2 | Confident | 84 | Confident | 25 Ų | 25 | 29.5 Ų | 29.5 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.1 | -32.5 | 174.5 | -54 | -55 | -23.2 | 0 | 0 | 111.3 | E104 I137 G139 K144 A145 | E104-Q141 HydrophobicContact CB-CG 4.23Å; E104-Q141 HydrophobicContact CG-CG 4.19Å; E104-Q141 PolarHBondContact OE1-NE2 2.93Å; E104-Q141 PolarHBondContact OE2-NE2 2.91Å; I137-Q141 HydrophobicContact CG2-CB 4.07Å; G139-Q141 VanDerWaalsContact C-N 3.27Å; G139-Q141 PolarHBondContact O-N 3.44Å; Q141-K144 VanDerWaalsContact NE2-NZ 3.19Å; Q141-A145 WeakPolarHBondContact O-CB 3.44Å; Q141-A145 PolarHBondContact O-N 2.75Å |
| 142 | L | 87.3 | Confident | 84 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 170.6 | -176.2 | 62.8 | 0 | 0 | 0 | 111.1 | L131 I137 G139 K144 A145 F146 I175 D217 W236 | L131-L142 HydrophobicContact CD1-CD1 4.44Å; L131-L142 HydrophobicContact CD2-CD1 3.4Å; L131-L142 VanDerWaalsContact CD2-CD1 3.4Å; I137-L142 HydrophobicContact CG2-CB 4.03Å; I137-L142 HydrophobicContact CG2-CD1 4.34Å; G139-L142 WeakPolarHBondContact O-CB 3.36Å; G139-L142 PolarHBondContact O-N 3.29Å; L142-K144 PolarHBondContact O-N 2.68Å; L142-A145 PolarHBondContact O-N 3.32Å; L142-F146 WeakPolarHBondContact O-CB 3.32Å; L142-F146 PolarHBondContact O-N 3.32Å; L142-I175 HydrophobicContact CD1-CD1 3.81Å; L142-I175 HydrophobicContact CD1-CG1 3.95Å; L142-I175 HydrophobicContact CD2-CD1 4Å; L142-I175 HydrophobicContact CD2-CG1 3.98Å; L142-I175 HydrophobicContact CD2-CG2 4.34Å; L142-I175 HydrophobicContact CG-CD1 3.98Å; L142-I175 HydrophobicContact CG-CG1 4.33Å; L142-D217 HydrophobicContact CD2-CB 3.62Å; L142-D217 VanDerWaalsContact CD2-OD2 3.3Å; L142-D217 WeakPolarHBondContact CD2-OD2 3.42Å; L142-W236 HydrophobicContact CB-CH2 4.37Å; L142-W236 HydrophobicContact CB-CZ2 4.21Å; L142-W236 HydrophobicContact CD2-CH2 4.07Å; L142-W236 HydrophobicContact CD2-CZ2 4.23Å; L142-W236 HydrophobicContact CG-CH2 4.02Å; L142-W236 HydrophobicContact CG-CZ2 4.3Å |
| 143 | A | 86.2 | Confident | 84.1 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.1 | -51.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G139 A145 F146 T147 W236 L237 | G139-A143 PolarHBondContact O-N 3.39Å; A143-A145 PolarHBondContact O-N 3.03Å; A143-F146 PolarHBondContact O-N 2.83Å; A143-T147 WeakPolarHBondContact O-CB 3.39Å; A143-T147 PolarHBondContact O-N 3.29Å; A143-T147 PolarHBondContact O-OG1 3.4Å; A143-W236 HydrophobicContact CB-CD2 3.79Å; A143-W236 HydrophobicContact CB-CE3 4.06Å; A143-W236 HydrophobicContact CB-CG 4.33Å; A143-W236 HydrophobicContact CB-CH2 4.18Å; A143-W236 HydrophobicContact CB-CZ2 3.92Å; A143-W236 HydrophobicContact CB-CZ3 4.23Å; A143-L237 HydrophobicContact CB-CD2 4.38Å |
| 144 | K | 86.5 | Confident | 84.2 | Confident | 75 Ų | 75 | 30.6 Ų | 30.6 | 33% | 0.326 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56.3 | -48.6 | 175.2 | -71.8 | 171.5 | -167.1 | 164.1 | 0 | 112.1 | V107 W111 P140 Q141 L142 F146 T147 I148 | V107-K144 HydrophobicContact CG1-CB 3.96Å; W111-K144 HydrophobicContact CE3-CB 3.98Å; W111-K144 HydrophobicContact CE3-CG 4.39Å; W111-K144 HydrophobicContact CZ3-CB 4.25Å; W111-K144 WeakPolarHBondContact CZ3-O 3.34Å; P140-K144 WeakPolarHBondContact O-CG 3.42Å; P140-K144 PolarHBondContact O-N 3.37Å; P140-K144 VanDerWaalsContact O-N 3.12Å; Q141-K144 VanDerWaalsContact NE2-NZ 3.19Å; L142-K144 PolarHBondContact O-N 2.68Å; K144-F146 VanDerWaalsContact C-N 3.32Å; K144-F146 PolarHBondContact O-N 2.89Å; K144-T147 PolarHBondContact O-N 2.98Å; K144-I148 WeakPolarHBondContact O-CG1 3.3Å; K144-I148 PolarHBondContact O-N 3.27Å |
| 145 | A | 88.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V107 T127 L131 Q141 L142 A143 | V107-A145 HydrophobicContact CG1-CB 4.12Å; V107-A145 HydrophobicContact CG2-CB 4.21Å; T127-A145 HydrophobicContact CG2-CB 4.31Å; T127-A145 WeakPolarHBondContact CG2-O 3.3Å; L131-A145 HydrophobicContact CD1-CB 4.04Å; L131-A145 HydrophobicContact CD2-CB 3.95Å; L131-A145 HydrophobicContact CG-CB 4.31Å; Q141-A145 WeakPolarHBondContact O-CB 3.44Å; Q141-A145 PolarHBondContact O-N 2.75Å; L142-A145 PolarHBondContact O-N 3.32Å; A143-A145 PolarHBondContact O-N 3.03Å |
| 146 | F | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -41.9 | 176.1 | -164.2 | -91.2 | 0 | 0 | 0 | 112.2 | L142 A143 K144 I148 C149 L150 V168 C171 A172 I175 L221 L237 L251 | L142-F146 WeakPolarHBondContact O-CB 3.32Å; L142-F146 PolarHBondContact O-N 3.32Å; A143-F146 PolarHBondContact O-N 2.83Å; K144-F146 VanDerWaalsContact C-N 3.32Å; K144-F146 PolarHBondContact O-N 2.89Å; F146-I148 VanDerWaalsContact C-N 3.26Å; F146-I148 PolarHBondContact O-N 3.23Å; F146-C149 WeakPolarHBondContact O-CB 3.49Å; F146-C149 PolarHBondContact O-N 3.42Å; F146-L150 HydrophobicContact CD1-CD1 3.88Å; F146-L150 HydrophobicContact CD1-CG 4.07Å; F146-L150 HydrophobicContact CE1-CD1 3.88Å; F146-L150 HydrophobicContact CE1-CD2 4.16Å; F146-L150 HydrophobicContact CE1-CG 3.92Å; F146-L150 PolarHBondContact O-N 3.48Å; F146-L150 VanDerWaalsContact O-N 3.15Å; F146-V168 HydrophobicContact CE1-CG1 4.33Å; F146-V168 HydrophobicContact CZ-CG1 3.8Å; F146-C171 HydrophobicContact CD2-CB 4Å; F146-C171 HydrophobicContact CE2-CB 4.01Å; F146-A172 HydrophobicContact CE2-CB 3.9Å; F146-A172 HydrophobicContact CZ-CB 4.13Å; F146-I175 HydrophobicContact CD2-CD1 3.88Å; F146-I175 HydrophobicContact CE2-CD1 4.39Å; F146-L221 HydrophobicContact CD1-CD1 3.71Å; F146-L221 HydrophobicContact CD2-CD1 4.4Å; F146-L221 HydrophobicContact CE1-CD1 3.47Å; F146-L221 VanDerWaalsContact CE1-CD1 3.47Å; F146-L221 HydrophobicContact CE2-CD1 4.2Å; F146-L221 HydrophobicContact CE2-CD2 4.17Å; F146-L221 HydrophobicContact CG-CD1 4.18Å; F146-L221 HydrophobicContact CZ-CD1 3.73Å; F146-L221 HydrophobicContact CZ-CD2 4.31Å; F146-L237 HydrophobicContact CD1-CD2 4.19Å; F146-L251 HydrophobicContact CZ-CD2 4.28Å |
| 147 | T | 88.3 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -26.6 | 178 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | W111 A143 K144 L150 K151 T240 | W111-T147 HydrophobicContact CH2-CG2 3.58Å; W111-T147 HydrophobicContact CZ3-CG2 3.75Å; A143-T147 WeakPolarHBondContact O-CB 3.39Å; A143-T147 PolarHBondContact O-N 3.29Å; A143-T147 PolarHBondContact O-OG1 3.4Å; K144-T147 PolarHBondContact O-N 2.98Å; T147-L150 PolarHBondContact O-N 3.01Å; T147-K151 VanDerWaalsContact O-CB 3.29Å; T147-K151 WeakPolarHBondContact O-CB 3.4Å; T147-K151 PolarHBondContact O-N 3.12Å; T147-T240 HydrophobicContact CG2-CG2 3.64Å |
| 148 | I | 88.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 167.2 | -67.5 | 165.3 | 0 | 0 | 0 | 110.8 | L110 W111 A114 I123 K144 F146 L150 K151 L152 | L110-I148 HydrophobicContact CB-CD1 3.98Å; W111-I148 HydrophobicContact CB-CD1 4.11Å; W111-I148 HydrophobicContact CB-CG1 4.49Å; W111-I148 HydrophobicContact CD2-CG1 4.36Å; W111-I148 HydrophobicContact CE3-CD1 4.15Å; W111-I148 HydrophobicContact CE3-CG1 3.57Å; W111-I148 HydrophobicContact CZ3-CG1 4.13Å; A114-I148 HydrophobicContact CB-CG1 4.38Å; A114-I148 HydrophobicContact CB-CG2 3.82Å; I123-I148 HydrophobicContact CG2-CG2 4.01Å; K144-I148 WeakPolarHBondContact O-CG1 3.3Å; K144-I148 PolarHBondContact O-N 3.27Å; F146-I148 VanDerWaalsContact C-N 3.26Å; F146-I148 PolarHBondContact O-N 3.23Å; I148-L150 PolarHBondContact O-N 3.28Å; I148-K151 PolarHBondContact O-N 2.86Å; I148-L152 HydrophobicContact CG2-CD1 3.92Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CG 3.22Å; I148-L152 PolarHBondContact O-N 3.3Å |
| 149 | C | 88.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 179.5 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | L124 F146 H153 A167 V168 | L124-C149 HydrophobicContact CD1-CB 4.44Å; F146-C149 WeakPolarHBondContact O-CB 3.49Å; F146-C149 PolarHBondContact O-N 3.42Å; C149-H153 PolarHBondContact O-N 3.4Å; C149-A167 HydrophobicContact CB-CB 4.4Å; C149-V168 HydrophobicContact CB-CG2 3.73Å |
| 150 | L | 88.5 | Confident | 86.1 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.4 | -68.4 | 174.8 | 0 | 0 | 0 | 112.2 | F146 T147 I148 L152 H153 V168 L237 T240 I243 | F146-L150 HydrophobicContact CD1-CD1 3.88Å; F146-L150 HydrophobicContact CD1-CG 4.07Å; F146-L150 HydrophobicContact CE1-CD1 3.88Å; F146-L150 HydrophobicContact CE1-CD2 4.16Å; F146-L150 HydrophobicContact CE1-CG 3.92Å; F146-L150 PolarHBondContact O-N 3.48Å; F146-L150 VanDerWaalsContact O-N 3.15Å; T147-L150 PolarHBondContact O-N 3.01Å; I148-L150 PolarHBondContact O-N 3.28Å; L150-L152 PolarHBondContact O-N 2.89Å; L150-H153 WeakPolarHBondContact O-CB 3.49Å; L150-H153 PolarHBondContact O-N 3.24Å; L150-H153 VanDerWaalsContact O-N 3.16Å; L150-V168 HydrophobicContact CD2-CG1 4.05Å; L150-V168 HydrophobicContact CD2-CG2 3.92Å; L150-V168 HydrophobicContact CG-CG2 4.41Å; L150-L237 HydrophobicContact CD1-CD1 4Å; L150-T240 HydrophobicContact CB-CG2 4.18Å; L150-I243 HydrophobicContact CD2-CD1 4.02Å; L150-I243 HydrophobicContact CD2-CG1 4.34Å |
| 151 | K | 84.8 | Confident | 86.2 | Confident | 77 Ų | 77 | 36.7 Ų | 36.7 | 34% | 0.335 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.4 | -172.6 | 170.2 | -178.2 | 169.1 | 0 | 112.1 | E115 T147 I148 H153 L154 | E115-K151 IonicContact OE1-NZ 3.91Å; T147-K151 VanDerWaalsContact O-CB 3.29Å; T147-K151 WeakPolarHBondContact O-CB 3.4Å; T147-K151 PolarHBondContact O-N 3.12Å; I148-K151 PolarHBondContact O-N 2.86Å; K151-H153 VanDerWaalsContact C-N 3.28Å; K151-H153 PolarHBondContact O-N 3.35Å; K151-L154 PolarHBondContact O-N 3.17Å; K151-L154 VanDerWaalsContact O-N 3.11Å |
| 152 | L | 88.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.2 | -20.3 | 175.8 | -68.3 | 177 | 0 | 0 | 0 | 113.3 | E120 I123 L124 I148 L150 L154 S155 T160 A164 | E120-L152 HydrophobicContact CB-CD2 4.07Å; E120-L152 HydrophobicContact CG-CD2 3.98Å; I123-L152 HydrophobicContact CG2-CD1 4.38Å; L124-L152 HydrophobicContact CB-CD1 4.32Å; L124-L152 HydrophobicContact CD1-CB 4.33Å; L124-L152 HydrophobicContact CD1-CD1 3.88Å; I148-L152 HydrophobicContact CG2-CD1 3.92Å; I148-L152 HydrophobicContact CG2-CG 4.4Å; I148-L152 WeakPolarHBondContact O-CG 3.22Å; I148-L152 PolarHBondContact O-N 3.3Å; L150-L152 PolarHBondContact O-N 2.89Å; L152-L154 PolarHBondContact O-N 2.75Å; L152-S155 WeakPolarHBondContact O-CB 3.07Å; L152-S155 PolarHBondContact O-N 2.94Å; L152-S155 PolarHBondContact O-OG 3.01Å; L152-T160 HydrophobicContact CB-CG2 4.19Å; L152-A164 HydrophobicContact CB-CB 4.16Å |
| 153 | H | 86.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.8 | -17.3 | 169.8 | -176.2 | 68.9 | 0 | 0 | 0 | 113.1 | C149 L150 K151 S155 V161 A164 N244 L247 | C149-H153 PolarHBondContact O-N 3.4Å; L150-H153 WeakPolarHBondContact O-CB 3.49Å; L150-H153 PolarHBondContact O-N 3.24Å; L150-H153 VanDerWaalsContact O-N 3.16Å; K151-H153 VanDerWaalsContact C-N 3.28Å; K151-H153 PolarHBondContact O-N 3.35Å; H153-S155 VanDerWaalsContact C-N 3.33Å; H153-V161 PolarHBondContact ND1-O 3.23Å; H153-A164 HydrophobicContact CB-CB 3.94Å; H153-N244 PolarHBondContact NE2-ND2 3.41Å; H153-L247 HydrophobicContact CB-CD2 4.38Å; H153-L247 VanDerWaalsContact CD2-CD2 3.41Å; H153-L247 WeakPolarHBondContact CD2-CD2 3.41Å |
| 154 | L | 84.7 | Confident | 86.5 | Confident | 96 Ų | 96 | 43.2 Ų | 43.2 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 12.5 | 172.5 | -56.2 | 178.3 | 0 | 0 | 0 | 113 | K151 L152 | K151-L154 PolarHBondContact O-N 3.17Å; K151-L154 VanDerWaalsContact O-N 3.11Å; L152-L154 PolarHBondContact O-N 2.75Å |
| 155 | S | 85.2 | Confident | 86.6 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -69.3 | 161.7 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | L152 H153 S157 T160 V161 | L152-S155 WeakPolarHBondContact O-CB 3.07Å; L152-S155 PolarHBondContact O-N 2.94Å; L152-S155 PolarHBondContact O-OG 3.01Å; H153-S155 VanDerWaalsContact C-N 3.33Å; S155-S157 VanDerWaalsContact C-N 3.32Å; S155-T160 VanDerWaalsContact OG-CB 3.27Å; S155-T160 WeakPolarHBondContact OG-CB 3.24Å; S155-T160 VanDerWaalsContact OG-CG2 3.3Å; S155-T160 WeakPolarHBondContact OG-CG2 3.3Å; S155-V161 WeakPolarHBondContact O-CG2 3.41Å |
| 156 | K | 83 | Confident | 86.5 | Confident | 214 Ų | 214 | 41.4 Ų | 41.4 | 93% | 0.93 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -81.5 | -12.1 | 177.5 | -61.8 | -178.6 | -178.1 | 179.5 | 0 | 113.5 | P158 | K156-P158 WeakPolarHBondContact O-CD 3.29Š|
| 157 | S | 83.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | trans | -89.8 | 112.6 | -175.6 | 165.5 | 0 | 0 | 0 | 0 | 109.4 | S155 A159 T160 V161 | S155-S157 VanDerWaalsContact C-N 3.32Å; S157-A159 PolarHBondContact O-N 3.07Å; S157-T160 VanDerWaalsContact CB-OG1 3.31Å; S157-T160 WeakPolarHBondContact CB-OG1 3.29Å; S157-T160 CarbonylContact O-C 3.57Å; S157-T160 WeakPolarHBondContact O-CA 3.43Å; S157-T160 WeakPolarHBondContact O-CB 3.47Å; S157-T160 PolarHBondContact O-N 2.64Å; S157-T160 PolarHBondContact OG-N 3.13Å; S157-T160 PolarHBondContact OG-OG1 3.41Å; S157-V161 WeakPolarHBondContact O-CG2 3.33Å; S157-V161 PolarHBondContact O-N 2.94Å | ||
| 158 | P | 82.4 | Confident | 86.5 | Confident | 95 Ų | 95 | 41.4 Ų | 41.4 | 62% | 0.617 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.5 | -30 | -178.9 | 24 | -33.5 | 0 | 0 | 0 | 112.5 | K156 N162 | K156-P158 WeakPolarHBondContact O-CD 3.29Å; P158-N162 WeakPolarHBondContact O-CB 3.43Å; P158-N162 VanDerWaalsContact O-CG 3.22Å; P158-N162 PolarHBondContact O-N 3.48Å |
| 159 | A | 82.3 | Confident | 86.5 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 44% | 0.438 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S157 T163 | S157-A159 PolarHBondContact O-N 3.07Å; A159-T163 WeakPolarHBondContact O-CB 3.43Å; A159-T163 PolarHBondContact O-N 3.23Å; A159-T163 VanDerWaalsContact O-N 3.09Å; A159-T163 PolarHBondContact O-OG1 2.72Å |
| 160 | T | 86.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 175 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | E120 L152 S155 S157 N162 T163 A164 | E120-T160 HydrophobicContact CB-CG2 3.63Å; E120-T160 HydrophobicContact CG-CG2 4.31Å; E120-T160 VanDerWaalsContact OE2-CB 3.27Å; E120-T160 WeakPolarHBondContact OE2-CB 3.32Å; E120-T160 VanDerWaalsContact OE2-CG2 3.29Å; E120-T160 WeakPolarHBondContact OE2-CG2 3.27Å; E120-T160 PolarHBondContact OE2-OG1 3.02Å; L152-T160 HydrophobicContact CB-CG2 4.19Å; S155-T160 VanDerWaalsContact OG-CB 3.27Å; S155-T160 WeakPolarHBondContact OG-CB 3.24Å; S155-T160 VanDerWaalsContact OG-CG2 3.3Å; S155-T160 WeakPolarHBondContact OG-CG2 3.3Å; S157-T160 VanDerWaalsContact CB-OG1 3.31Å; S157-T160 WeakPolarHBondContact CB-OG1 3.29Å; S157-T160 CarbonylContact O-C 3.57Å; S157-T160 WeakPolarHBondContact O-CA 3.43Å; S157-T160 WeakPolarHBondContact O-CB 3.47Å; S157-T160 PolarHBondContact O-N 2.64Å; S157-T160 PolarHBondContact OG-N 3.13Å; S157-T160 PolarHBondContact OG-OG1 3.41Å; T160-N162 PolarHBondContact O-N 3.46Å; T160-T163 PolarHBondContact O-N 2.96Å; T160-A164 WeakPolarHBondContact O-CB 3.33Å; T160-A164 PolarHBondContact O-N 3.33Å |
| 161 | V | 85.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.4 | -47.8 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | H153 S155 S157 A164 A165 | H153-V161 PolarHBondContact ND1-O 3.23Å; S155-V161 WeakPolarHBondContact O-CG2 3.41Å; S157-V161 WeakPolarHBondContact O-CG2 3.33Å; S157-V161 PolarHBondContact O-N 2.94Å; V161-A164 PolarHBondContact O-N 2.81Å; V161-A165 WeakPolarHBondContact O-CB 3.27Å; V161-A165 PolarHBondContact O-N 3.42Å |
| 162 | N | 86.5 | Confident | 86.8 | Confident | 113 Ų | 113 | 45.9 Ų | 45.9 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -69.6 | -43.5 | -179.4 | -71.1 | -7.8 | 0 | 0 | 0 | 112 | P158 T160 A164 A165 A166 | P158-N162 WeakPolarHBondContact O-CB 3.43Å; P158-N162 VanDerWaalsContact O-CG 3.22Å; P158-N162 PolarHBondContact O-N 3.48Å; T160-N162 PolarHBondContact O-N 3.46Å; N162-A164 VanDerWaalsContact C-N 3.3Å; N162-A164 PolarHBondContact O-N 3.36Å; N162-A165 PolarHBondContact O-N 3.33Å; N162-A166 PolarHBondContact O-N 3.48Å; N162-A166 VanDerWaalsContact O-N 3.09Å |
| 163 | T | 88.4 | Confident | 86.9 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.8 | -43.5 | 0 | 0 | 0 | 0 | 110.1 | L121 L124 A159 T160 A166 A167 | L121-T163 HydrophobicContact CD2-CG2 4.29Å; L121-T163 WeakPolarHBondContact CD2-OG1 3.37Å; L124-T163 VanDerWaalsContact CD2-C 3.43Å; L124-T163 HydrophobicContact CD2-CG2 3.37Å; L124-T163 WeakPolarHBondContact CD2-O 3.33Å; A159-T163 WeakPolarHBondContact O-CB 3.43Å; A159-T163 PolarHBondContact O-N 3.23Å; A159-T163 VanDerWaalsContact O-N 3.09Å; A159-T163 PolarHBondContact O-OG1 2.72Å; T160-T163 PolarHBondContact O-N 2.96Å; T163-A166 WeakPolarHBondContact O-CB 3.24Å; T163-A166 PolarHBondContact O-N 2.92Å; T163-A167 WeakPolarHBondContact O-CB 3.46Å; T163-A167 PolarHBondContact O-N 2.8Å |
| 164 | A | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L124 L152 H153 T160 V161 N162 A166 A167 V168 | L124-A164 HydrophobicContact CD1-CB 3.94Å; L152-A164 HydrophobicContact CB-CB 4.16Å; H153-A164 HydrophobicContact CB-CB 3.94Å; T160-A164 WeakPolarHBondContact O-CB 3.33Å; T160-A164 PolarHBondContact O-N 3.33Å; V161-A164 PolarHBondContact O-N 2.81Å; N162-A164 VanDerWaalsContact C-N 3.3Å; N162-A164 PolarHBondContact O-N 3.36Å; A164-A166 VanDerWaalsContact C-N 3.3Å; A164-A166 PolarHBondContact O-N 2.95Å; A164-A167 WeakPolarHBondContact O-CB 3.29Å; A164-A167 PolarHBondContact O-N 3.11Å; A164-A167 VanDerWaalsContact O-N 3.14Å; A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.25Å; A164-V168 PolarHBondContact O-N 3.32Å |
| 165 | A | 87.9 | Confident | 87 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 10% | 0.099 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V161 N162 R169 L247 | V161-A165 WeakPolarHBondContact O-CB 3.27Å; V161-A165 PolarHBondContact O-N 3.42Å; N162-A165 PolarHBondContact O-N 3.33Å; A165-R169 PolarHBondContact O-N 2.98Å; A165-R169 PolarHBondContact O-NE 2.89Å; A165-L247 HydrophobicContact CB-CD1 3.9Å; A165-L247 HydrophobicContact CB-CD2 4.37Å |
| 166 | A | 87.1 | Confident | 87.2 | Confident | 27 Ų | 27 | 41.1 Ų | 41.1 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.1 | -41 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N162 T163 A164 R169 Q170 | N162-A166 PolarHBondContact O-N 3.48Å; N162-A166 VanDerWaalsContact O-N 3.09Å; T163-A166 WeakPolarHBondContact O-CB 3.24Å; T163-A166 PolarHBondContact O-N 2.92Å; A164-A166 VanDerWaalsContact C-N 3.3Å; A164-A166 PolarHBondContact O-N 2.95Å; A166-R169 PolarHBondContact O-N 2.61Å; A166-Q170 WeakPolarHBondContact O-CB 3.49Å; A166-Q170 WeakPolarHBondContact O-CG 3.21Å; A166-Q170 PolarHBondContact O-N 3.15Å |
| 167 | A | 88.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L124 I128 C149 T163 A164 R169 Q170 C171 | L124-A167 HydrophobicContact CD1-CB 3.73Å; L124-A167 HydrophobicContact CD2-CB 3.87Å; L124-A167 HydrophobicContact CG-CB 3.76Å; I128-A167 HydrophobicContact CD1-CB 3.62Å; I128-A167 HydrophobicContact CG1-CB 3.59Å; C149-A167 HydrophobicContact CB-CB 4.4Å; T163-A167 WeakPolarHBondContact O-CB 3.46Å; T163-A167 PolarHBondContact O-N 2.8Å; A164-A167 WeakPolarHBondContact O-CB 3.29Å; A164-A167 PolarHBondContact O-N 3.11Å; A164-A167 VanDerWaalsContact O-N 3.14Å; A167-R169 VanDerWaalsContact C-N 3.3Å; A167-R169 PolarHBondContact O-N 2.97Å; A167-Q170 PolarHBondContact O-N 2.99Å; A167-C171 WeakPolarHBondContact O-CB 3.48Å; A167-C171 PolarHBondContact O-N 3.48Å; A167-C171 PolarHBondContact O-SG 3.41Å |
| 168 | V | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 177.9 | 167.8 | 0 | 0 | 0 | 0 | 110.2 | F146 C149 L150 A164 A172 L251 | F146-V168 HydrophobicContact CE1-CG1 4.33Å; F146-V168 HydrophobicContact CZ-CG1 3.8Å; C149-V168 HydrophobicContact CB-CG2 3.73Å; L150-V168 HydrophobicContact CD2-CG1 4.05Å; L150-V168 HydrophobicContact CD2-CG2 3.92Å; L150-V168 HydrophobicContact CG-CG2 4.41Å; A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.25Å; A164-V168 PolarHBondContact O-N 3.32Å; V168-A172 VanDerWaalsContact O-CB 3.25Å; V168-A172 WeakPolarHBondContact O-CB 3.3Å; V168-A172 PolarHBondContact O-N 3.24Å; V168-L251 HydrophobicContact CG1-CD1 4.14Å; V168-L251 HydrophobicContact CG1-CD2 3.74Å |
| 169 | R | 88.6 | Confident | 87.5 | Confident | 85 Ų | 85 | 28.2 Ų | 28.2 | 32% | 0.321 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.5 | -52.5 | 175.8 | -70.7 | 174.9 | -69.1 | 165.5 | 4 | 112.3 | A165 A166 A167 C171 A172 S173 E250 L251 | A165-R169 PolarHBondContact O-N 2.98Å; A165-R169 PolarHBondContact O-NE 2.89Å; A166-R169 PolarHBondContact O-N 2.61Å; A167-R169 VanDerWaalsContact C-N 3.3Å; A167-R169 PolarHBondContact O-N 2.97Å; R169-C171 VanDerWaalsContact C-N 3.33Å; R169-C171 PolarHBondContact O-N 3.11Å; R169-A172 PolarHBondContact O-N 3.08Å; R169-S173 PolarHBondContact O-N 2.95Å; R169-S173 PolarHBondContact O-OG 2.91Å; R169-E250 WeakPolarHBondContact CD-OE1 3.26Å; R169-E250 IonicContact CZ-OE1 3.7Å; R169-E250 VanDerWaalsContact CZ-OE1 3.23Å; R169-E250 IonicContact NE-OE1 3.61Å; R169-E250 PolarHBondContact NE-OE1 3.49Å; R169-E250 IonicContact NH1-OE1 2.99Å; R169-E250 PolarHBondContact NH1-OE1 3.41Å; R169-L251 HydrophobicContact CG-CD1 3.99Å |
| 170 | Q | 88 | Confident | 87.4 | Confident | 98 Ų | 98 | 28.2 Ų | 28.2 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 179.4 | -73.2 | 174.7 | 5.5 | 0 | 0 | 112.8 | A166 A167 A174 | A166-Q170 WeakPolarHBondContact O-CB 3.49Å; A166-Q170 WeakPolarHBondContact O-CG 3.21Å; A166-Q170 PolarHBondContact O-N 3.15Å; A167-Q170 PolarHBondContact O-N 2.99Å; Q170-A174 VanDerWaalsContact O-CB 3.26Å; Q170-A174 WeakPolarHBondContact O-CB 3.39Å; Q170-A174 PolarHBondContact O-N 3.41Å |
| 171 | C | 89 | Confident | 86.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.4 | -38.9 | 178.1 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | L131 F146 A167 R169 A174 I175 | L131-C171 HydrophobicContact CD1-CB 3.89Å; F146-C171 HydrophobicContact CD2-CB 4Å; F146-C171 HydrophobicContact CE2-CB 4.01Å; A167-C171 WeakPolarHBondContact O-CB 3.48Å; A167-C171 PolarHBondContact O-N 3.48Å; A167-C171 PolarHBondContact O-SG 3.41Å; R169-C171 VanDerWaalsContact C-N 3.33Å; R169-C171 PolarHBondContact O-N 3.11Å; C171-A174 PolarHBondContact O-N 3.34Å; C171-I175 WeakPolarHBondContact O-CD1 3.47Å; C171-I175 WeakPolarHBondContact O-CG1 3.38Å; C171-I175 PolarHBondContact O-N 3.36Å |
| 172 | A | 90.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F146 V168 R169 A174 I175 F176 L221 L251 L255 | F146-A172 HydrophobicContact CE2-CB 3.9Å; F146-A172 HydrophobicContact CZ-CB 4.13Å; V168-A172 VanDerWaalsContact O-CB 3.25Å; V168-A172 WeakPolarHBondContact O-CB 3.3Å; V168-A172 PolarHBondContact O-N 3.24Å; R169-A172 PolarHBondContact O-N 3.08Å; A172-A174 VanDerWaalsContact C-N 3.32Å; A172-A174 PolarHBondContact O-N 3.21Å; A172-I175 WeakPolarHBondContact O-CB 3.4Å; A172-I175 PolarHBondContact O-N 3.49Å; A172-I175 VanDerWaalsContact O-N 3.08Å; A172-F176 WeakPolarHBondContact O-CD2 3.47Å; A172-F176 PolarHBondContact O-N 3.24Å; A172-L221 HydrophobicContact CB-CD2 4.16Å; A172-L251 HydrophobicContact CB-CD1 3.73Å; A172-L255 HydrophobicContact CB-CD1 4.26Å; A172-L255 HydrophobicContact CB-CD2 3.93Å |
| 173 | S | 89.3 | Confident | 85.4 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 170.8 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | R169 I175 F176 D177 Y259 | R169-S173 PolarHBondContact O-N 2.95Å; R169-S173 PolarHBondContact O-OG 2.91Å; S173-I175 PolarHBondContact O-N 3.19Å; S173-F176 PolarHBondContact O-N 2.79Å; S173-F176 VanDerWaalsContact O-N 3.16Å; S173-D177 WeakPolarHBondContact O-CB 3.46Å; S173-D177 PolarHBondContact O-N 3.16Å; S173-Y259 VanDerWaalsContact CA-OH 3.22Å; S173-Y259 WeakPolarHBondContact CA-OH 3.37Å; S173-Y259 WeakPolarHBondContact CB-OH 3.28Å; S173-Y259 PolarHBondContact O-OH 3.42Å |
| 174 | A | 87.1 | Confident | 84.1 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -28.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | T132 Q170 C171 A172 R178 | T132-A174 HydrophobicContact CG2-CB 3.93Å; Q170-A174 VanDerWaalsContact O-CB 3.26Å; Q170-A174 WeakPolarHBondContact O-CB 3.39Å; Q170-A174 PolarHBondContact O-N 3.41Å; C171-A174 PolarHBondContact O-N 3.34Å; A172-A174 VanDerWaalsContact C-N 3.32Å; A172-A174 PolarHBondContact O-N 3.21Å; A174-R178 WeakPolarHBondContact O-CD 3.32Å; A174-R178 VanDerWaalsContact O-CG 3.25Å; A174-R178 WeakPolarHBondContact O-CG 3.41Å; A174-R178 PolarHBondContact O-N 2.96Å |
| 175 | I | 88.4 | Confident | 82.4 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.2 | -45.9 | 173.6 | -70.1 | 164.8 | 0 | 0 | 0 | 110.3 | L142 F146 C171 A172 S173 R178 A218 L221 | L142-I175 HydrophobicContact CD1-CD1 3.81Å; L142-I175 HydrophobicContact CD1-CG1 3.95Å; L142-I175 HydrophobicContact CD2-CD1 4Å; L142-I175 HydrophobicContact CD2-CG1 3.98Å; L142-I175 HydrophobicContact CD2-CG2 4.34Å; L142-I175 HydrophobicContact CG-CD1 3.98Å; L142-I175 HydrophobicContact CG-CG1 4.33Å; F146-I175 HydrophobicContact CD2-CD1 3.88Å; F146-I175 HydrophobicContact CE2-CD1 4.39Å; C171-I175 WeakPolarHBondContact O-CD1 3.47Å; C171-I175 WeakPolarHBondContact O-CG1 3.38Å; C171-I175 PolarHBondContact O-N 3.36Å; A172-I175 WeakPolarHBondContact O-CB 3.4Å; A172-I175 PolarHBondContact O-N 3.49Å; A172-I175 VanDerWaalsContact O-N 3.08Å; S173-I175 PolarHBondContact O-N 3.19Å; I175-R178 WeakPolarHBondContact O-CB 3.42Å; I175-R178 PolarHBondContact O-N 3.01Å; I175-A218 HydrophobicContact CG2-CB 4.07Å; I175-L221 HydrophobicContact CB-CD2 4.35Å; I175-L221 HydrophobicContact CD1-CD2 3.78Å; I175-L221 HydrophobicContact CG2-CD2 4.2Å |
| 176 | F | 89.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 177 | -84.1 | -111.3 | 0 | 0 | 0 | 112.4 | A172 S173 R178 V179 A218 L221 F222 L255 Y259 L262 F263 F269 | A172-F176 WeakPolarHBondContact O-CD2 3.47Å; A172-F176 PolarHBondContact O-N 3.24Å; S173-F176 PolarHBondContact O-N 2.79Å; S173-F176 VanDerWaalsContact O-N 3.16Å; F176-R178 PolarHBondContact O-N 2.85Å; F176-V179 VanDerWaalsContact O-CB 3.3Å; F176-V179 WeakPolarHBondContact O-CB 3.49Å; F176-V179 WeakPolarHBondContact O-CG2 3.42Å; F176-V179 PolarHBondContact O-N 2.99Å; F176-A218 HydrophobicContact CD2-CB 3.99Å; F176-A218 HydrophobicContact CE1-CB 4.45Å; F176-A218 HydrophobicContact CE2-CB 3.89Å; F176-A218 HydrophobicContact CG-CB 4.33Å; F176-A218 HydrophobicContact CZ-CB 4.13Å; F176-L221 HydrophobicContact CE2-CD2 4.41Å; F176-F222 HydrophobicContact CZ-CB 4.22Å; F176-L255 HydrophobicContact CD2-CD2 3.73Å; F176-L255 HydrophobicContact CE2-CD1 4.04Å; F176-L255 HydrophobicContact CE2-CD2 3.91Å; F176-L255 HydrophobicContact CE2-CG 4.49Å; F176-L255 HydrophobicContact CG-CD2 4.06Å; F176-L255 HydrophobicContact CZ-CD1 4.34Å; F176-L255 HydrophobicContact CZ-CD2 4.4Å; F176-Y259 HydrophobicContact CB-CD1 4.26Å; F176-Y259 HydrophobicContact CB-CD2 3.61Å; F176-Y259 HydrophobicContact CB-CE1 3.99Å; F176-Y259 HydrophobicContact CB-CE2 3.34Å; F176-Y259 HydrophobicContact CB-CG 4.07Å; F176-Y259 AromaticContact CD1-CD2 3.53Å; F176-Y259 HydrophobicContact CD1-CD2 3.53Å; F176-Y259 HydrophobicContact CD1-CE2 4.14Å; F176-Y259 AromaticContact CD1-CG 3.88Å; F176-Y259 HydrophobicContact CD1-CG 3.88Å; F176-Y259 HydrophobicContact CE1-CD2 4.45Å; F176-Y259 AromaticContact CG-CD2 3.77Å; F176-Y259 HydrophobicContact CG-CD2 3.77Å; F176-Y259 AromaticContact CG-CE2 3.87Å; F176-Y259 HydrophobicContact CG-CE2 3.87Å; F176-Y259 HydrophobicContact CG-CG 4.37Å; F176-L262 HydrophobicContact CD1-CD2 3.57Å; F176-L262 HydrophobicContact CE1-CD2 3.78Å; F176-F263 HydrophobicContact CD1-CE2 4.44Å; F176-F263 AromaticContact CE1-CE2 3.65Å; F176-F263 HydrophobicContact CE1-CE2 3.65Å; F176-F263 AromaticContact CE1-CZ 3.68Å; F176-F263 HydrophobicContact CE1-CZ 3.68Å; F176-F263 HydrophobicContact CZ-CE2 4.41Å; F176-F263 HydrophobicContact CZ-CZ 4.04Å; F176-F269 HydrophobicContact CE1-CE1 4.11Å; F176-F269 HydrophobicContact CZ-CE1 4.25Å |
| 177 | D | 86 | Confident | 78.2 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.8 | -26.7 | 173.8 | -72.8 | -5.5 | 0 | 0 | 0 | 113.2 | S173 V179 K181 Y259 | S173-D177 WeakPolarHBondContact O-CB 3.46Å; S173-D177 PolarHBondContact O-N 3.16Å; D177-V179 VanDerWaalsContact C-N 3.31Å; D177-K181 WeakPolarHBondContact O-CD 3.4Å; D177-K181 VanDerWaalsContact O-CG 3.3Å; D177-K181 WeakPolarHBondContact O-CG 3.46Å; D177-K181 PolarHBondContact O-N 3.14Å; D177-Y259 WeakPolarHBondContact OD1-CE1 3.33Å; D177-Y259 PolarHBondContact OD1-OH 3.01Å |
| 178 | R | 86.7 | Confident | 76 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -30.8 | 174.9 | -70.8 | 160.9 | -176.1 | -159.3 | 0.7 | 111.6 | L131 S134 I137 A174 I175 F176 K181 E182 | L131-R178 PolarHBondContact O-NH2 3.19Å; S134-R178 PolarHBondContact O-NH2 2.88Å; I137-R178 PolarHBondContact O-NH1 2.89Å; A174-R178 WeakPolarHBondContact O-CD 3.32Å; A174-R178 VanDerWaalsContact O-CG 3.25Å; A174-R178 WeakPolarHBondContact O-CG 3.41Å; A174-R178 PolarHBondContact O-N 2.96Å; I175-R178 WeakPolarHBondContact O-CB 3.42Å; I175-R178 PolarHBondContact O-N 3.01Å; F176-R178 PolarHBondContact O-N 2.85Å; R178-K181 PolarHBondContact O-N 3.28Å; R178-E182 WeakPolarHBondContact O-CB 3.34Å; R178-E182 PolarHBondContact O-N 3.07Å |
| 179 | V | 82.7 | Confident | 73.4 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -53.1 | 176.6 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | F176 D177 K181 E182 E183 E215 A218 L262 | F176-V179 VanDerWaalsContact O-CB 3.3Å; F176-V179 WeakPolarHBondContact O-CB 3.49Å; F176-V179 WeakPolarHBondContact O-CG2 3.42Å; F176-V179 PolarHBondContact O-N 2.99Å; D177-V179 VanDerWaalsContact C-N 3.31Å; V179-K181 VanDerWaalsContact C-N 3.3Å; V179-K181 PolarHBondContact O-N 3.44Å; V179-E182 PolarHBondContact O-N 3.04Å; V179-E182 VanDerWaalsContact O-N 3.07Å; V179-E183 PolarHBondContact O-N 2.84Å; V179-E215 HydrophobicContact CG1-CB 4.18Å; V179-E215 HydrophobicContact CG1-CG 4.14Å; V179-A218 HydrophobicContact CG2-CB 3.75Å; V179-L262 HydrophobicContact CG1-CD1 3.8Å |
| 180 | F | 78.7 | Confident | 70.9 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.1 | -36 | 176.3 | -69.1 | -79 | 0 | 0 | 0 | 113.4 | E183 L184 Y259 S261 L262 | F180-E183 PolarHBondContact O-N 3.5Å; F180-L184 WeakPolarHBondContact O-CB 3.31Å; F180-L184 VanDerWaalsContact O-CG 3.32Å; F180-L184 WeakPolarHBondContact O-CG 3.3Å; F180-L184 PolarHBondContact O-N 3.46Å; F180-Y259 HydrophobicContact CD2-CD1 4.17Å; F180-Y259 HydrophobicContact CD2-CE1 4.39Å; F180-Y259 AromaticContact CE2-CD1 3.44Å; F180-Y259 HydrophobicContact CE2-CD1 3.44Å; F180-Y259 VanDerWaalsContact CE2-CD1 3.44Å; F180-Y259 HydrophobicContact CE2-CE1 4.09Å; F180-Y259 HydrophobicContact CE2-CG 4.24Å; F180-Y259 HydrophobicContact CZ-CD1 4.23Å; F180-S261 WeakPolarHBondContact CE1-OG 3.29Å; F180-S261 WeakPolarHBondContact CZ-OG 3.04Å; F180-L262 HydrophobicContact CE2-CB 4.21Å; F180-L262 HydrophobicContact CZ-CB 3.82Å |
| 181 | K | 75.9 | Confident | 68.4 | Low | 117 Ų | 117 | 68.3 Ų | 68.3 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 174.7 | -72.7 | 164.2 | -173.3 | 154.2 | 0 | 112.4 | D177 R178 V179 I185 | D177-K181 WeakPolarHBondContact O-CD 3.4Å; D177-K181 VanDerWaalsContact O-CG 3.3Å; D177-K181 WeakPolarHBondContact O-CG 3.46Å; D177-K181 PolarHBondContact O-N 3.14Å; R178-K181 PolarHBondContact O-N 3.28Å; V179-K181 VanDerWaalsContact C-N 3.3Å; V179-K181 PolarHBondContact O-N 3.44Å; K181-I185 WeakPolarHBondContact O-CD1 3.27Å; K181-I185 VanDerWaalsContact O-CG1 3.27Å; K181-I185 WeakPolarHBondContact O-CG1 3.46Å; K181-I185 PolarHBondContact O-N 2.86Å |
| 182 | E | 74.1 | Confident | 65.9 | Low | 35 Ų | 35 | 72.6 Ų | 72.6 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.4 | -32.3 | 176.4 | -168 | 155.8 | -117.1 | 0 | 0 | 111.4 | R138 R178 V179 S214 | R138-E182 IonicContact CZ-OE1 3.61Å; R138-E182 IonicContact NH1-OE1 3.98Å; R138-E182 PolarHBondContact NH1-OE1 2.98Å; R138-E182 IonicContact NH2-OE1 3.68Å; R138-E182 PolarHBondContact NH2-OE1 2.99Å; R178-E182 WeakPolarHBondContact O-CB 3.34Å; R178-E182 PolarHBondContact O-N 3.07Å; V179-E182 PolarHBondContact O-N 3.04Å; V179-E182 VanDerWaalsContact O-N 3.07Å; E182-S214 VanDerWaalsContact CD-OG 3.23Å; E182-S214 PolarHBondContact OE1-OG 3.25Å; E182-S214 WeakPolarHBondContact OE2-CB 3.5Å; E182-S214 PolarHBondContact OE2-N 3.29Å; E182-S214 PolarHBondContact OE2-OG 3.24Å |
| 183 | E | 67.9 | Low | 63.1 | Low | 66 Ų | 66 | 81.8 Ų | 81.8 | 31% | 0.308 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.9 | -45.9 | 171.3 | -69.1 | -173.5 | 146.4 | 0 | 0 | 113.2 | V179 F180 I185 I186 | V179-E183 PolarHBondContact O-N 2.84Å; F180-E183 PolarHBondContact O-N 3.5Å; E183-I185 PolarHBondContact O-N 2.71Å; E183-I186 PolarHBondContact O-N 3.19Å; E183-I186 VanDerWaalsContact O-N 3.12Å |
| 184 | L | 60.2 | Low | 60.3 | Low | 134 Ų | 134 | 89.4 Ų | 89.4 | 70% | 0.702 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63 | -27.2 | -178.8 | -77.1 | 168.8 | 0 | 0 | 0 | 114.2 | F180 I186 | F180-L184 WeakPolarHBondContact O-CB 3.31Å; F180-L184 VanDerWaalsContact O-CG 3.32Å; F180-L184 WeakPolarHBondContact O-CG 3.3Å; F180-L184 PolarHBondContact O-N 3.46Å; L184-I186 VanDerWaalsContact C-N 3.35Å |
| 185 | I | 55.4 | Low | 57.7 | Low | 143 Ų | 143 | 98.1 Ų | 98.1 | 73% | 0.733 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -75.6 | -26.7 | 178.6 | -69 | 166.3 | 0 | 0 | 0 | 111.3 | K181 E183 Q187 | K181-I185 WeakPolarHBondContact O-CD1 3.27Å; K181-I185 VanDerWaalsContact O-CG1 3.27Å; K181-I185 WeakPolarHBondContact O-CG1 3.46Å; K181-I185 PolarHBondContact O-N 2.86Å; E183-I185 PolarHBondContact O-N 2.71Å; I185-Q187 PolarHBondContact O-N 3.12Å |
| 186 | I | 48.3 | Very low | 55 | Low | 109 Ų | 109 | 102.4 Ų | 102.4 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | trans | -100.4 | 71.2 | -178.5 | -51.1 | 172.8 | 0 | 0 | 0 | 108.8 | E183 L184 | E183-I186 PolarHBondContact O-N 3.19Å; E183-I186 VanDerWaalsContact O-N 3.12Å; L184-I186 VanDerWaalsContact C-N 3.35Å | ||
| 187 | Q | 37.9 | Very low | 52.4 | Low | 165 Ų | 165 | 107.6 Ų | 107.6 | 77% | 0.771 | 58% | 0.584 | S | S | * | * | trans | -63.2 | 136.3 | 165 | -71.8 | -171 | 0.3 | 0 | 0 | 109.4 | I185 T189 | I185-Q187 PolarHBondContact O-N 3.12Å; Q187-T189 PolarHBondContact O-N 2.64Å; Q187-T189 VanDerWaalsContact O-N 3.09Å | ||
| 188 | P | 41.4 | Very low | 49.8 | Very low | 105 Ų | 105 | 109.9 Ų | 109.9 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | trans | -75.8 | 105.7 | -164 | 28.7 | -35.3 | 0 | 0 | 0 | 112.2 | ||||
| 189 | T | 36.3 | Very low | 47.3 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -63.1 | 135.7 | 151.6 | 50.3 | 0 | 0 | 0 | 0 | 108.6 | Q187 | Q187-T189 PolarHBondContact O-N 2.64Å; Q187-T189 VanDerWaalsContact O-N 3.09Å |
| 190 | D | 35.6 | Very low | 45.4 | Very low | 141 Ų | 141 | 118.5 Ų | 118.5 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | trans | 76.5 | 69.1 | -174.4 | -59.1 | -11.6 | 0 | 0 | 0 | 116.3 | S192 | D190-S192 PolarHBondContact O-N 3.09Š| ||
| 191 | S | 36.2 | Very low | 43.8 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | trans | -66.7 | 38 | 164.9 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 192 | S | 36.1 | Very low | 42.4 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | trans | -137.1 | 44.8 | -174.2 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | D190 | D190-S192 PolarHBondContact O-N 3.09Š| ||
| 193 | K | 31.6 | Very low | 41.5 | Very low | 193 Ų | 193 | 123.7 Ų | 123.7 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | -160.2 | 26 | 163.2 | -111.6 | 159.2 | -162.5 | 175.1 | 0 | 117 | K195 | K193-K195 PolarHBondContact O-N 3.01Š| ||
| 194 | H | 31.7 | Very low | 40.9 | Very low | 189 Ų | 189 | 126.5 Ų | 126.5 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | trans | -71.6 | 74.4 | 162.1 | -78.2 | -70.1 | 0 | 0 | 0 | 110.7 | ||||
| 195 | K | 30.9 | Very low | 40.7 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | trans | -72.2 | 138.3 | 161 | -80.7 | -171.5 | 172.5 | -174.4 | 0 | 108.5 | K193 | K193-K195 PolarHBondContact O-N 3.01Š| ||
| 196 | A | 33.5 | Very low | 40.9 | Very low | 90 Ų | 90 | 119.7 Ų | 119.7 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -44.8 | 139.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S198 | A196-S198 PolarHBondContact O-N 3.23Š| ||
| 197 | A | 33.3 | Very low | 41.5 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 90% | 0.901 | 68% | 0.684 | S | S | * | * | trans | -64.1 | 101.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 198 | S | 31.8 | Very low | 42.6 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | -104.5 | 111.9 | 173.3 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | A196 | A196-S198 PolarHBondContact O-N 3.23Š| ||
| 199 | G | 34.9 | Very low | 43.5 | Very low | 62 Ų | 62 | 112.5 Ų | 112.5 | 64% | 0.639 | 65% | 0.654 | S | S | * | * | trans | 54 | 96.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | D201 | G199-D201 PolarHBondContact O-N 2.94Š| ||
| 200 | I | 42.2 | Very low | 44.8 | Very low | 137 Ų | 137 | 112.4 Ų | 112.4 | 70% | 0.703 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 50.4 | 172.4 | -43.1 | 176.1 | 0 | 0 | 0 | 110.5 | ||
| 201 | D | 45.2 | Very low | 46.6 | Very low | 145 Ų | 145 | 106.8 Ų | 106.8 | 78% | 0.775 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -31.1 | 178.7 | -74.3 | -40.1 | 0 | 0 | 0 | 112.3 | G199 I203 | G199-D201 PolarHBondContact O-N 2.94Å; D201-I203 PolarHBondContact O-N 3.47Å |
| 202 | D | 46.8 | Very low | 48.4 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | trans | -97.5 | 83.8 | 176.8 | -75.2 | -33.6 | 0 | 0 | 0 | 112 | L204 | D202-L204 VanDerWaalsContact C-N 3.27Å; D202-L204 PolarHBondContact O-N 3.46Å | ||
| 203 | I | 53.6 | Low | 50.3 | Low | 31 Ų | 31 | 104.1 Ų | 104.1 | 16% | 0.159 | 59% | 0.589 | C | S | . | * | trans | -73.2 | 85.9 | 165.5 | -49.5 | 176.6 | 0 | 0 | 0 | 108.5 | D201 Y271 K274 L372 | D201-I203 PolarHBondContact O-N 3.47Å; I203-Y271 HydrophobicContact CG2-CD2 3.96Å; I203-Y271 HydrophobicContact CG2-CG 4.37Å; I203-K274 HydrophobicContact CD1-CD 4.35Å; I203-L372 HydrophobicContact CD1-CD1 3.77Å | ||
| 204 | L | 56 | Low | 52.6 | Low | 124 Ų | 124 | 95 Ų | 95 | 65% | 0.649 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 145.6 | 179.1 | -68.3 | 170.2 | 0 | 0 | 0 | 111.8 | D202 V206 | D202-L204 VanDerWaalsContact C-N 3.27Å; D202-L204 PolarHBondContact O-N 3.46Å; L204-V206 PolarHBondContact O-N 2.77Å |
| 205 | P | 55.4 | Low | 55 | Low | 95 Ų | 95 | 86.3 Ų | 86.3 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 117.9 | 175.9 | 26.3 | -33.7 | 0 | 0 | 0 | 110.5 | Y271 | P205-Y271 HydrophobicContact CB-CE2 4.18Š|
| 206 | V | 61 | Low | 57.4 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 24% | 0.242 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 130.1 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 110 | L204 P208 L211 A268 | L204-V206 PolarHBondContact O-N 2.77Å; V206-P208 WeakPolarHBondContact O-CD 3.45Å; V206-L211 HydrophobicContact CG1-CD2 3.76Å; V206-L211 HydrophobicContact CG1-CG 4.36Å; V206-A268 HydrophobicContact CB-CB 4.17Å; V206-A268 HydrophobicContact CG1-CB 4.15Å; V206-A268 HydrophobicContact CG2-CB 4.09Å |
| 207 | N | 60.9 | Low | 59.9 | Low | 80 Ų | 80 | 77.8 Ų | 77.8 | 43% | 0.428 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 121.9 | 172.4 | -173.5 | -1.6 | 0 | 0 | 0 | 109.2 | L209 D210 | N207-L209 PolarHBondContact O-N 3.2Å; N207-D210 PolarHBondContact O-N 2.83Å |
| 208 | P | 59.9 | Low | 62.5 | Low | 34 Ų | 34 | 72.6 Ų | 72.6 | 22% | 0.221 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.1 | -176.3 | -24.7 | 34.8 | 0 | 0 | 0 | 115.1 | V206 R216 Y219 M220 | V206-P208 WeakPolarHBondContact O-CD 3.45Å; P208-R216 WeakPolarHBondContact O-CD 3.3Å; P208-R216 WeakPolarHBondContact O-CG 3.18Å; P208-R216 PolarHBondContact O-NE 3.16Å; P208-Y219 HydrophobicContact CB-CD1 4.48Å; P208-Y219 HydrophobicContact CB-CE1 4.34Å; P208-Y219 HydrophobicContact CG-CD1 4.47Å; P208-Y219 HydrophobicContact CG-CE1 3.85Å; P208-M220 HydrophobicContact CB-SD 3.87Å; P208-M220 HydrophobicContact CG-SD 4.17Å |
| 209 | L | 60.4 | Low | 65.2 | Low | 113 Ų | 113 | 67.7 Ų | 67.7 | 59% | 0.592 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -23.3 | 174.8 | -70.6 | 166 | 0 | 0 | 0 | 113.7 | N207 | N207-L209 PolarHBondContact O-N 3.2Š|
| 210 | D | 64 | Low | 67.7 | Low | 131 Ų | 131 | 65.6 Ų | 65.6 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -88.6 | -5.7 | -176.6 | -57.7 | -34.9 | 0 | 0 | 0 | 112.9 | N207 | N207-D210 PolarHBondContact O-N 2.83Š|
| 211 | L | 73.3 | Confident | 70 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -81.6 | 152.2 | -178.2 | -58.2 | 179.6 | 0 | 0 | 0 | 112.5 | V206 E215 R216 Y219 A268 | V206-L211 HydrophobicContact CG1-CD2 3.76Å; V206-L211 HydrophobicContact CG1-CG 4.36Å; L211-E215 WeakPolarHBondContact CD2-OE1 3.11Å; L211-R216 HydrophobicContact CB-CB 4.01Å; L211-Y219 HydrophobicContact CD1-CD1 4.24Å; L211-Y219 HydrophobicContact CD1-CD2 3.8Å; L211-Y219 HydrophobicContact CD1-CE2 4.37Å; L211-Y219 HydrophobicContact CD1-CG 3.74Å; L211-A268 HydrophobicContact CD1-CB 4.34Å; L211-A268 HydrophobicContact CD2-CB 3.85Å |
| 212 | K | 74.1 | Confident | 72.2 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 38% | 0.383 | 28% | 0.278 | S | S | . | . | trans | -62.7 | 156.1 | 174.2 | -61.4 | 170.8 | -171 | 161.7 | 0 | 110.6 | S214 E215 R216 | K212-S214 PolarHBondContact O-N 3.36Å; K212-E215 HydrophobicContact CB-CB 3.92Å; K212-E215 PolarHBondContact N-OE2 2.8Å; K212-E215 WeakPolarHBondContact O-CB 3.43Å; K212-E215 PolarHBondContact O-N 3.34Å; K212-R216 VanDerWaalsContact O-CB 3.29Å; K212-R216 WeakPolarHBondContact O-CB 3.16Å; K212-R216 PolarHBondContact O-N 3.14Å | ||
| 213 | S | 75.6 | Confident | 74.2 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 43% | 0.434 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -49.5 | -171.6 | -53.4 | 0 | 0 | 0 | 0 | 114.6 | E215 D217 | S213-E215 VanDerWaalsContact C-N 3.32Å; S213-D217 PolarHBondContact O-N 3.17Å |
| 214 | S | 79.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.5 | -30.3 | 179.9 | -41.5 | 0 | 0 | 0 | 0 | 111.7 | R138 E182 K212 D217 A218 | R138-S214 PolarHBondContact NH2-OG 3.15Å; E182-S214 VanDerWaalsContact CD-OG 3.23Å; E182-S214 PolarHBondContact OE1-OG 3.25Å; E182-S214 WeakPolarHBondContact OE2-CB 3.5Å; E182-S214 PolarHBondContact OE2-N 3.29Å; E182-S214 PolarHBondContact OE2-OG 3.24Å; K212-S214 PolarHBondContact O-N 3.36Å; S214-D217 PolarHBondContact O-N 2.68Å; S214-A218 PolarHBondContact O-N 3.42Å; S214-A218 VanDerWaalsContact O-N 3.13Å |
| 215 | E | 81.8 | Confident | 77.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | 176.7 | -166.3 | -152.5 | 154.3 | 0 | 0 | 111.4 | V179 L211 K212 S213 D217 A218 Y219 H266 F269 | V179-E215 HydrophobicContact CG1-CB 4.18Å; V179-E215 HydrophobicContact CG1-CG 4.14Å; L211-E215 WeakPolarHBondContact CD2-OE1 3.11Å; K212-E215 HydrophobicContact CB-CB 3.92Å; K212-E215 PolarHBondContact N-OE2 2.8Å; K212-E215 WeakPolarHBondContact O-CB 3.43Å; K212-E215 PolarHBondContact O-N 3.34Å; S213-E215 VanDerWaalsContact C-N 3.32Å; E215-D217 VanDerWaalsContact C-N 3.31Å; E215-D217 PolarHBondContact O-N 3.31Å; E215-A218 PolarHBondContact O-N 2.64Å; E215-Y219 WeakPolarHBondContact O-CB 3.21Å; E215-Y219 PolarHBondContact O-N 3.45Å; E215-H266 VanDerWaalsContact CD-CE1 3.43Å; E215-H266 IonicContact OE1-CE1 3.38Å; E215-H266 PolarHBondContact OE1-CE1 3.4Å; E215-H266 IonicContact OE1-CG 3.52Å; E215-H266 IonicContact OE1-ND1 3.66Å; E215-H266 PolarHBondContact OE1-ND1 2.93Å; E215-H266 IonicContact OE1-NE2 2.8Å; E215-H266 IonicContact OE2-CE1 3.52Å; E215-F269 HydrophobicContact CG-CE2 3.61Å; E215-F269 HydrophobicContact CG-CZ 4.16Å |
| 216 | R | 82.2 | Confident | 79.1 | Confident | 96 Ų | 96 | 35 Ų | 35 | 36% | 0.362 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 173.8 | -175.5 | 179.8 | 178.6 | 177.2 | 0.4 | 111.6 | P208 L211 K212 A218 Y219 M220 | P208-R216 WeakPolarHBondContact O-CD 3.3Å; P208-R216 WeakPolarHBondContact O-CG 3.18Å; P208-R216 PolarHBondContact O-NE 3.16Å; L211-R216 HydrophobicContact CB-CB 4.01Å; K212-R216 VanDerWaalsContact O-CB 3.29Å; K212-R216 WeakPolarHBondContact O-CB 3.16Å; K212-R216 PolarHBondContact O-N 3.14Å; R216-A218 VanDerWaalsContact C-N 3.34Å; R216-A218 PolarHBondContact O-N 3.39Å; R216-Y219 PolarHBondContact O-N 2.84Å; R216-M220 HydrophobicContact CG-CG 4.23Å; R216-M220 WeakPolarHBondContact O-CB 3.33Å; R216-M220 WeakPolarHBondContact O-CG 3.47Å; R216-M220 PolarHBondContact O-N 3.41Å |
| 217 | D | 86.3 | Confident | 80.3 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 177 | -79.4 | -13.7 | 0 | 0 | 0 | 111.8 | R138 G139 L142 S213 S214 E215 L221 W236 | R138-D217 VanDerWaalsContact CA-OD2 3.26Å; R138-D217 WeakPolarHBondContact CA-OD2 3.36Å; G139-D217 WeakPolarHBondContact CA-OD1 3.37Å; G139-D217 VanDerWaalsContact N-CG 3.31Å; G139-D217 PolarHBondContact N-OD1 3.42Å; G139-D217 PolarHBondContact N-OD2 2.92Å; L142-D217 HydrophobicContact CD2-CB 3.62Å; L142-D217 VanDerWaalsContact CD2-OD2 3.3Å; L142-D217 WeakPolarHBondContact CD2-OD2 3.42Å; S213-D217 PolarHBondContact O-N 3.17Å; S214-D217 PolarHBondContact O-N 2.68Å; E215-D217 VanDerWaalsContact C-N 3.31Å; E215-D217 PolarHBondContact O-N 3.31Å; D217-L221 VanDerWaalsContact O-CB 3.28Å; D217-L221 WeakPolarHBondContact O-CB 3.36Å; D217-L221 PolarHBondContact O-N 2.91Å; D217-L221 VanDerWaalsContact O-N 3.14Å; D217-W236 HydrophobicContact CB-CZ2 4.36Å |
| 218 | A | 88.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I175 F176 V179 S214 E215 R216 F222 F269 | I175-A218 HydrophobicContact CG2-CB 4.07Å; F176-A218 HydrophobicContact CD2-CB 3.99Å; F176-A218 HydrophobicContact CE1-CB 4.45Å; F176-A218 HydrophobicContact CE2-CB 3.89Å; F176-A218 HydrophobicContact CG-CB 4.33Å; F176-A218 HydrophobicContact CZ-CB 4.13Å; V179-A218 HydrophobicContact CG2-CB 3.75Å; S214-A218 PolarHBondContact O-N 3.42Å; S214-A218 VanDerWaalsContact O-N 3.13Å; E215-A218 PolarHBondContact O-N 2.64Å; R216-A218 VanDerWaalsContact C-N 3.34Å; R216-A218 PolarHBondContact O-N 3.39Å; A218-F222 PolarHBondContact O-N 3.26Å; A218-F222 VanDerWaalsContact O-N 3.07Å; A218-F269 HydrophobicContact CB-CE1 4.15Å; A218-F269 HydrophobicContact CB-CZ 3.92Å |
| 219 | Y | 88.3 | Confident | 82.6 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -53.5 | 176 | 178.1 | -78.6 | 0 | 0 | 0 | 111.3 | P208 L211 E215 R216 L221 F222 Q223 A268 L272 | P208-Y219 HydrophobicContact CB-CD1 4.48Å; P208-Y219 HydrophobicContact CB-CE1 4.34Å; P208-Y219 HydrophobicContact CG-CD1 4.47Å; P208-Y219 HydrophobicContact CG-CE1 3.85Å; L211-Y219 HydrophobicContact CD1-CD1 4.24Å; L211-Y219 HydrophobicContact CD1-CD2 3.8Å; L211-Y219 HydrophobicContact CD1-CE2 4.37Å; L211-Y219 HydrophobicContact CD1-CG 3.74Å; E215-Y219 WeakPolarHBondContact O-CB 3.21Å; E215-Y219 PolarHBondContact O-N 3.45Å; R216-Y219 PolarHBondContact O-N 2.84Å; Y219-L221 VanDerWaalsContact C-N 3.33Å; Y219-L221 PolarHBondContact O-N 3.05Å; Y219-F222 PolarHBondContact O-N 3.06Å; Y219-Q223 WeakPolarHBondContact O-CB 3.41Å; Y219-Q223 PolarHBondContact O-N 3.14Å; Y219-A268 HydrophobicContact CD2-CB 3.82Å; Y219-A268 HydrophobicContact CE2-CB 3.78Å; Y219-A268 WeakPolarHBondContact CE2-O 3.22Å; Y219-L272 HydrophobicContact CD1-CD1 4.06Å; Y219-L272 HydrophobicContact CD2-CD1 3.41Å; Y219-L272 VanDerWaalsContact CD2-CD1 3.41Å; Y219-L272 HydrophobicContact CD2-CG 4Å; Y219-L272 HydrophobicContact CE1-CD1 4.08Å; Y219-L272 HydrophobicContact CE1-CD2 4.13Å; Y219-L272 HydrophobicContact CE1-CG 4.36Å; Y219-L272 HydrophobicContact CE2-CD1 3.47Å; Y219-L272 VanDerWaalsContact CE2-CD1 3.47Å; Y219-L272 HydrophobicContact CE2-CD2 4.07Å; Y219-L272 HydrophobicContact CE2-CG 3.51Å; Y219-L272 HydrophobicContact CG-CD1 3.71Å; Y219-L272 WeakPolarHBondContact O-CD1 3.32Å |
| 220 | M | 87.7 | Confident | 83.5 | Confident | 17 Ų | 17 | 24.8 Ų | 24.8 | 8% | 0.084 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.4 | -36.4 | -177.6 | -61.4 | -63.9 | -65.7 | 0 | 0 | 111.5 | P208 R216 D224 I235 W236 | P208-M220 HydrophobicContact CB-SD 3.87Å; P208-M220 HydrophobicContact CG-SD 4.17Å; R216-M220 HydrophobicContact CG-CG 4.23Å; R216-M220 WeakPolarHBondContact O-CB 3.33Å; R216-M220 WeakPolarHBondContact O-CG 3.47Å; R216-M220 PolarHBondContact O-N 3.41Å; M220-D224 WeakPolarHBondContact O-CB 3.25Å; M220-D224 PolarHBondContact O-N 3.46Å; M220-I235 HydrophobicContact CE-CB 4.12Å; M220-I235 HydrophobicContact CE-CG2 3.66Å; M220-W236 HydrophobicContact CB-CB 3.88Å; M220-W236 HydrophobicContact CB-CD2 3.84Å; M220-W236 HydrophobicContact CB-CE3 4.21Å; M220-W236 HydrophobicContact CB-CG 3.72Å; M220-W236 HydrophobicContact CE-CB 3.91Å; M220-W236 HydrophobicContact CG-CG 4.4Å |
| 221 | L | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 173.2 | 174.6 | 60.4 | 0 | 0 | 0 | 111.7 | F146 A172 I175 F176 D217 Y219 D224 V225 W236 L237 | F146-L221 HydrophobicContact CD1-CD1 3.71Å; F146-L221 HydrophobicContact CD2-CD1 4.4Å; F146-L221 HydrophobicContact CE1-CD1 3.47Å; F146-L221 VanDerWaalsContact CE1-CD1 3.47Å; F146-L221 HydrophobicContact CE2-CD1 4.2Å; F146-L221 HydrophobicContact CE2-CD2 4.17Å; F146-L221 HydrophobicContact CG-CD1 4.18Å; F146-L221 HydrophobicContact CZ-CD1 3.73Å; F146-L221 HydrophobicContact CZ-CD2 4.31Å; A172-L221 HydrophobicContact CB-CD2 4.16Å; I175-L221 HydrophobicContact CB-CD2 4.35Å; I175-L221 HydrophobicContact CD1-CD2 3.78Å; I175-L221 HydrophobicContact CG2-CD2 4.2Å; F176-L221 HydrophobicContact CE2-CD2 4.41Å; D217-L221 VanDerWaalsContact O-CB 3.28Å; D217-L221 WeakPolarHBondContact O-CB 3.36Å; D217-L221 PolarHBondContact O-N 2.91Å; D217-L221 VanDerWaalsContact O-N 3.14Å; Y219-L221 VanDerWaalsContact C-N 3.33Å; Y219-L221 PolarHBondContact O-N 3.05Å; L221-D224 PolarHBondContact O-N 2.93Å; L221-V225 HydrophobicContact CD1-CG2 4.07Å; L221-V225 VanDerWaalsContact O-CG2 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.38Å; L221-V225 PolarHBondContact O-N 3.35Å; L221-W236 HydrophobicContact CB-CE3 4.43Å; L221-W236 HydrophobicContact CB-CH2 4.45Å; L221-W236 HydrophobicContact CB-CZ3 3.78Å; L221-W236 HydrophobicContact CD1-CZ3 4.21Å; L221-L237 HydrophobicContact CD1-CD1 4.33Å |
| 222 | F | 90.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.6 | -42.4 | -178.8 | -173.4 | -96.3 | 0 | 0 | 0 | 112 | F176 A218 Y219 D224 V225 C226 V252 L255 I256 F263 L272 L273 | F176-F222 HydrophobicContact CZ-CB 4.22Å; A218-F222 PolarHBondContact O-N 3.26Å; A218-F222 VanDerWaalsContact O-N 3.07Å; Y219-F222 PolarHBondContact O-N 3.06Å; F222-D224 PolarHBondContact O-N 3.25Å; F222-V225 PolarHBondContact O-N 3.28Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 VanDerWaalsContact O-N 3.14Å; F222-V252 HydrophobicContact CE2-CG1 4.36Å; F222-L255 HydrophobicContact CD2-CD1 4.37Å; F222-I256 HydrophobicContact CE2-CD1 4.09Å; F222-I256 HydrophobicContact CE2-CG1 3.81Å; F222-I256 HydrophobicContact CZ-CD1 3.9Å; F222-I256 HydrophobicContact CZ-CG1 3.94Å; F222-F263 AromaticContact CD1-CE1 3.97Å; F222-F263 HydrophobicContact CD1-CE1 3.97Å; F222-F263 HydrophobicContact CD1-CZ 4.43Å; F222-F263 AromaticContact CD2-CE1 4Å; F222-F263 HydrophobicContact CD2-CE1 4Å; F222-F263 AromaticContact CD2-CZ 3.63Å; F222-F263 HydrophobicContact CD2-CZ 3.63Å; F222-F263 AromaticContact CE1-CE1 3.83Å; F222-F263 HydrophobicContact CE1-CE1 3.83Å; F222-F263 HydrophobicContact CE1-CZ 4.41Å; F222-F263 AromaticContact CE2-CE1 3.86Å; F222-F263 HydrophobicContact CE2-CE1 3.86Å; F222-F263 AromaticContact CE2-CZ 3.62Å; F222-F263 HydrophobicContact CE2-CZ 3.62Å; F222-F263 HydrophobicContact CG-CE1 4.04Å; F222-F263 HydrophobicContact CG-CZ 4.05Å; F222-F263 AromaticContact CZ-CE1 3.77Å; F222-F263 HydrophobicContact CZ-CE1 3.77Å; F222-F263 HydrophobicContact CZ-CZ 4.03Å; F222-L272 HydrophobicContact CB-CD1 4.48Å; F222-L272 HydrophobicContact CD1-CB 4.01Å; F222-L272 HydrophobicContact CD1-CD1 4.03Å; F222-L272 HydrophobicContact CE1-CB 4.21Å; F222-L273 HydrophobicContact CE1-CD2 4.17Å; F222-L273 HydrophobicContact CZ-CD2 3.93Å |
| 223 | Q | 89.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.2 | -53.6 | 174.2 | 168.6 | 158.9 | 31 | 0 | 0 | 111.9 | Y219 C226 L227 L272 | Y219-Q223 WeakPolarHBondContact O-CB 3.41Å; Y219-Q223 PolarHBondContact O-N 3.14Å; Q223-C226 PolarHBondContact O-N 3.16Å; Q223-L227 HydrophobicContact CG-CD1 3.92Å; Q223-L227 WeakPolarHBondContact O-CG 3.36Å; Q223-L227 PolarHBondContact O-N 3.15Å; Q223-L272 HydrophobicContact CB-CD1 4.36Å; Q223-L272 HydrophobicContact CB-CD2 3.88Å; Q223-L272 HydrophobicContact CG-CD2 4.37Å |
| 224 | D | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.6 | -32.6 | -175.5 | -84.3 | -0.8 | 0 | 0 | 0 | 113.2 | M220 L221 F222 C226 L227 L228 C234 I235 W236 L237 | M220-D224 WeakPolarHBondContact O-CB 3.25Å; M220-D224 PolarHBondContact O-N 3.46Å; L221-D224 PolarHBondContact O-N 2.93Å; F222-D224 PolarHBondContact O-N 3.25Å; D224-C226 VanDerWaalsContact C-N 3.34Å; D224-L227 PolarHBondContact O-N 3.23Å; D224-L228 WeakPolarHBondContact O-CB 3.31Å; D224-L228 VanDerWaalsContact O-CG 3.31Å; D224-L228 WeakPolarHBondContact O-CG 3.38Å; D224-L228 PolarHBondContact O-N 3.13Å; D224-C234 HydrophobicContact CB-CB 4.32Å; D224-I235 PolarHBondContact OD1-N 3.44Å; D224-I235 PolarHBondContact OD2-N 2.9Å; D224-W236 WeakPolarHBondContact OD2-CA 3.26Å; D224-W236 WeakPolarHBondContact OD2-CB 3.19Å; D224-W236 PolarHBondContact OD2-N 3.06Å; D224-L237 HydrophobicContact CB-CB 4.37Å; D224-L237 HydrophobicContact CB-CD1 3.87Å; D224-L237 HydrophobicContact CB-CG 3.99Å; D224-L237 PolarHBondContact OD2-N 3.19Å |
| 225 | V | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 172.5 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | L221 F222 L228 I229 L251 V252 | L221-V225 HydrophobicContact CD1-CG2 4.07Å; L221-V225 VanDerWaalsContact O-CG2 3.27Å; L221-V225 WeakPolarHBondContact O-CG2 3.38Å; L221-V225 PolarHBondContact O-N 3.35Å; F222-V225 PolarHBondContact O-N 3.28Å; V225-L228 PolarHBondContact O-N 3.46Å; V225-I229 HydrophobicContact CG1-CD1 4.11Å; V225-I229 WeakPolarHBondContact O-CD1 3.27Å; V225-I229 VanDerWaalsContact O-CG1 3.26Å; V225-I229 WeakPolarHBondContact O-CG1 3.24Å; V225-I229 PolarHBondContact O-N 3.48Å; V225-L251 HydrophobicContact CG1-CD2 4.17Å; V225-L251 HydrophobicContact CG2-CD2 3.99Å; V225-V252 HydrophobicContact CG1-CG2 3.66Å |
| 226 | C | 88.6 | Confident | 85 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.8 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | F222 Q223 D224 I229 S230 N276 L280 | F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 VanDerWaalsContact O-N 3.14Å; Q223-C226 PolarHBondContact O-N 3.16Å; D224-C226 VanDerWaalsContact C-N 3.34Å; C226-I229 PolarHBondContact O-N 2.95Å; C226-S230 PolarHBondContact O-N 3.43Å; C226-N276 HydrophobicContact CB-CB 4.06Å; C226-L280 HydrophobicContact CB-CD2 4.28Å |
| 227 | L | 86.4 | Confident | 85 | Confident | 32 Ų | 32 | 28.6 Ų | 28.6 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.2 | -67.8 | 169.8 | 0 | 0 | 0 | 112 | Q223 D224 I229 S230 D231 D232 I235 | Q223-L227 HydrophobicContact CG-CD1 3.92Å; Q223-L227 WeakPolarHBondContact O-CG 3.36Å; Q223-L227 PolarHBondContact O-N 3.15Å; D224-L227 PolarHBondContact O-N 3.23Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 PolarHBondContact O-N 3.21Å; L227-S230 WeakPolarHBondContact O-CB 3.26Å; L227-S230 PolarHBondContact O-N 3.12Å; L227-S230 VanDerWaalsContact O-N 3.13Å; L227-D231 PolarHBondContact O-N 3.16Å; L227-D232 HydrophobicContact CB-CB 4.31Å; L227-D232 HydrophobicContact CD2-CB 3.96Å; L227-D232 PolarHBondContact O-N 3.02Å; L227-I235 HydrophobicContact CD1-CD1 4.41Å; L227-I235 HydrophobicContact CD1-CG1 4.47Å |
| 228 | L | 84.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -35.3 | 176.6 | -80.6 | 166.7 | 0 | 0 | 0 | 113.5 | D224 V225 D231 C234 L237 I243 | D224-L228 WeakPolarHBondContact O-CB 3.31Å; D224-L228 VanDerWaalsContact O-CG 3.31Å; D224-L228 WeakPolarHBondContact O-CG 3.38Å; D224-L228 PolarHBondContact O-N 3.13Å; V225-L228 PolarHBondContact O-N 3.46Å; L228-D231 PolarHBondContact O-N 3.38Å; L228-C234 WeakPolarHBondContact CD2-SG 3.45Å; L228-C234 WeakPolarHBondContact CG-SG 3.41Å; L228-L237 HydrophobicContact CD1-CD1 4.1Å; L228-I243 HydrophobicContact CB-CB 4.09Å; L228-I243 HydrophobicContact CB-CG2 3.65Å; L228-I243 HydrophobicContact CD1-CB 4.47Å |
| 229 | I | 84.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.2 | -32.3 | 178.4 | -57 | 158.2 | 0 | 0 | 0 | 110.6 | V225 C226 L227 D231 I243 K245 G248 L249 V252 L280 L284 | V225-I229 HydrophobicContact CG1-CD1 4.11Å; V225-I229 WeakPolarHBondContact O-CD1 3.27Å; V225-I229 VanDerWaalsContact O-CG1 3.26Å; V225-I229 WeakPolarHBondContact O-CG1 3.24Å; V225-I229 PolarHBondContact O-N 3.48Å; C226-I229 PolarHBondContact O-N 2.95Å; L227-I229 VanDerWaalsContact C-N 3.3Å; L227-I229 PolarHBondContact O-N 3.21Å; I229-D231 PolarHBondContact O-N 2.89Å; I229-I243 HydrophobicContact CG1-CG2 3.96Å; I229-K245 HydrophobicContact CG2-CB 4.31Å; I229-K245 HydrophobicContact CG2-CG 4.3Å; I229-K245 WeakPolarHBondContact O-CE 3.43Å; I229-K245 PolarHBondContact O-NZ 2.91Å; I229-G248 VanDerWaalsContact CD1-C 3.42Å; I229-L249 HydrophobicContact CD1-CD2 4.5Å; I229-L249 HydrophobicContact CG2-CD2 4.31Å; I229-L249 HydrophobicContact CG2-CG 4.26Å; I229-V252 HydrophobicContact CD1-CG2 3.93Å; I229-L280 HydrophobicContact CB-CD1 4.02Å; I229-L280 HydrophobicContact CB-CD2 4Å; I229-L280 HydrophobicContact CD1-CD2 4.13Å; I229-L280 HydrophobicContact CG2-CD1 3.75Å; I229-L280 HydrophobicContact CG2-CD2 4.18Å; I229-L284 HydrophobicContact CG2-CD1 4.13Å |
| 230 | S | 79.8 | Confident | 82 | Confident | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7 | 174.5 | -76.3 | 0 | 0 | 0 | 0 | 114.6 | C226 L227 D232 L280 K283 | C226-S230 PolarHBondContact O-N 3.43Å; L227-S230 WeakPolarHBondContact O-CB 3.26Å; L227-S230 PolarHBondContact O-N 3.12Å; L227-S230 VanDerWaalsContact O-N 3.13Å; S230-D232 VanDerWaalsContact C-N 3.3Å; S230-D232 WeakPolarHBondContact CB-OD2 3.39Å; S230-L280 VanDerWaalsContact OG-CD1 3.29Å; S230-L280 WeakPolarHBondContact OG-CD1 3.44Å; S230-K283 PolarHBondContact O-NZ 3.14Å |
| 231 | D | 77.7 | Confident | 80.9 | Confident | 122 Ų | 122 | 42.6 Ų | 42.6 | 65% | 0.652 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 26.7 | -167.1 | -47.1 | -47.8 | 0 | 0 | 0 | 114.3 | L227 L228 I229 K245 | L227-D231 PolarHBondContact O-N 3.16Å; L228-D231 PolarHBondContact O-N 3.38Å; I229-D231 PolarHBondContact O-N 2.89Å; D231-K245 WeakPolarHBondContact OD1-CE 3.42Å; D231-K245 IonicContact OD1-NZ 3.24Å; D231-K245 PolarHBondContact OD1-NZ 3.04Å; D231-K245 IonicContact OD2-NZ 2.76Å; D231-K245 PolarHBondContact OD2-NZ 2.94Å |
| 232 | D | 80.4 | Confident | 80 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 164 | 179.2 | -62.2 | -44.1 | 0 | 0 | 0 | 111.9 | L227 S230 K283 | L227-D232 HydrophobicContact CB-CB 4.31Å; L227-D232 HydrophobicContact CD2-CB 3.96Å; L227-D232 PolarHBondContact O-N 3.02Å; S230-D232 VanDerWaalsContact C-N 3.3Å; S230-D232 WeakPolarHBondContact CB-OD2 3.39Å; D232-K283 IonicContact OD1-NZ 2.9Å; D232-K283 IonicContact OD2-NZ 3.72Å |
| 233 | T | 75.9 | Confident | 79.7 | Confident | 122 Ų | 122 | 50.5 Ų | 50.5 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 127.3 | -174.1 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 234 | C | 80.7 | Confident | 79.4 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 156.3 | 176.3 | -43.9 | 0 | 0 | 0 | 0 | 114 | D224 L228 L237 | D224-C234 HydrophobicContact CB-CB 4.32Å; L228-C234 WeakPolarHBondContact CD2-SG 3.45Å; L228-C234 WeakPolarHBondContact CG-SG 3.41Å; C234-L237 HydrophobicContact CB-CB 4.49Å |
| 235 | I | 80 | Confident | 79.2 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -108 | -34.1 | -178.2 | -56.4 | 173 | 0 | 0 | 0 | 112.3 | M220 D224 L227 | M220-I235 HydrophobicContact CE-CB 4.12Å; M220-I235 HydrophobicContact CE-CG2 3.66Å; D224-I235 PolarHBondContact OD1-N 3.44Å; D224-I235 PolarHBondContact OD2-N 2.9Å; L227-I235 HydrophobicContact CD1-CD1 4.41Å; L227-I235 HydrophobicContact CD1-CG1 4.47Å |
| 236 | W | 84.3 | Confident | 79 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -119 | -39.7 | -170.8 | -177.3 | 74.9 | 0 | 0 | 0 | 113.2 | G139 L142 A143 D217 M220 L221 D224 C238 | G139-W236 WeakPolarHBondContact O-CZ2 3.42Å; L142-W236 HydrophobicContact CB-CH2 4.37Å; L142-W236 HydrophobicContact CB-CZ2 4.21Å; L142-W236 HydrophobicContact CD2-CH2 4.07Å; L142-W236 HydrophobicContact CD2-CZ2 4.23Å; L142-W236 HydrophobicContact CG-CH2 4.02Å; L142-W236 HydrophobicContact CG-CZ2 4.3Å; A143-W236 HydrophobicContact CB-CD2 3.79Å; A143-W236 HydrophobicContact CB-CE3 4.06Å; A143-W236 HydrophobicContact CB-CG 4.33Å; A143-W236 HydrophobicContact CB-CH2 4.18Å; A143-W236 HydrophobicContact CB-CZ2 3.92Å; A143-W236 HydrophobicContact CB-CZ3 4.23Å; D217-W236 HydrophobicContact CB-CZ2 4.36Å; M220-W236 HydrophobicContact CB-CB 3.88Å; M220-W236 HydrophobicContact CB-CD2 3.84Å; M220-W236 HydrophobicContact CB-CE3 4.21Å; M220-W236 HydrophobicContact CB-CG 3.72Å; M220-W236 HydrophobicContact CE-CB 3.91Å; M220-W236 HydrophobicContact CG-CG 4.4Å; L221-W236 HydrophobicContact CB-CE3 4.43Å; L221-W236 HydrophobicContact CB-CH2 4.45Å; L221-W236 HydrophobicContact CB-CZ3 3.78Å; L221-W236 HydrophobicContact CD1-CZ3 4.21Å; D224-W236 WeakPolarHBondContact OD2-CA 3.26Å; D224-W236 WeakPolarHBondContact OD2-CB 3.19Å; D224-W236 PolarHBondContact OD2-N 3.06Å; W236-C238 PolarHBondContact O-N 3.47Å |
| 237 | L | 82 | Confident | 78.8 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -77.9 | 64.9 | 175.6 | -63.8 | -178.9 | 0 | 0 | 0 | 111.7 | A143 F146 L150 L221 D224 L228 C234 G239 T240 | A143-L237 HydrophobicContact CB-CD2 4.38Å; F146-L237 HydrophobicContact CD1-CD2 4.19Å; L150-L237 HydrophobicContact CD1-CD1 4Å; L221-L237 HydrophobicContact CD1-CD1 4.33Å; D224-L237 HydrophobicContact CB-CB 4.37Å; D224-L237 HydrophobicContact CB-CD1 3.87Å; D224-L237 HydrophobicContact CB-CG 3.99Å; D224-L237 PolarHBondContact OD2-N 3.19Å; L228-L237 HydrophobicContact CD1-CD1 4.1Å; C234-L237 HydrophobicContact CB-CB 4.49Å; L237-G239 PolarHBondContact O-N 2.98Å; L237-T240 PolarHBondContact O-OG1 2.85Å |
| 238 | C | 68.5 | Low | 78.9 | Confident | 98 Ų | 98 | 55.4 Ų | 55.4 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 129.8 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | W236 | W236-C238 PolarHBondContact O-N 3.47Š|
| 239 | G | 67.1 | Low | 79.1 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.8 | -8.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L237 | L237-G239 PolarHBondContact O-N 2.98Š|
| 240 | T | 65.9 | Low | 79.1 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | trans | -109.4 | 127.2 | 171.5 | 29.8 | 0 | 0 | 0 | 0 | 111.2 | T147 L150 L237 | T147-T240 HydrophobicContact CG2-CG2 3.64Å; L150-T240 HydrophobicContact CB-CG2 4.18Å; L237-T240 PolarHBondContact O-OG1 2.85Å | ||
| 241 | M | 63.1 | Low | 79.6 | Confident | 156 Ų | 156 | 56.2 Ų | 56.2 | 77% | 0.768 | 31% | 0.314 | S | S | * | . | trans | -103.9 | -9.6 | 177.1 | -63.3 | -75.5 | 86.6 | 0 | 0 | 113.7 | ||||
| 242 | Q | 72.2 | Confident | 80.1 | Confident | 148 Ų | 148 | 50.4 Ų | 50.4 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | trans | -146.8 | 137 | -174.6 | -66.3 | -176.7 | -12.6 | 0 | 0 | 110.6 | ||||
| 243 | I | 82.5 | Confident | 80.6 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | trans | -115.7 | 147.5 | 164.1 | -162.4 | 168.8 | 0 | 0 | 0 | 108.5 | L150 L228 I229 K245 | L150-I243 HydrophobicContact CD2-CD1 4.02Å; L150-I243 HydrophobicContact CD2-CG1 4.34Å; L228-I243 HydrophobicContact CB-CB 4.09Å; L228-I243 HydrophobicContact CB-CG2 3.65Å; L228-I243 HydrophobicContact CD1-CB 4.47Å; I229-I243 HydrophobicContact CG1-CG2 3.96Å; I243-K245 PolarHBondContact O-N 3.01Å; I243-K245 VanDerWaalsContact O-N 3.12Å | ||
| 244 | N | 83.3 | Confident | 81.1 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | trans | -64.8 | 113.4 | 165.5 | 176.5 | -8.3 | 0 | 0 | 0 | 108.1 | H153 V246 L247 G248 | H153-N244 PolarHBondContact NE2-ND2 3.41Å; N244-V246 PolarHBondContact O-N 3.09Å; N244-V246 VanDerWaalsContact O-N 3.12Å; N244-V246 PolarHBondContact OD1-N 2.68Å; N244-V246 VanDerWaalsContact OD1-N 3.11Å; N244-L247 HydrophobicContact CB-CB 4.13Å; N244-L247 PolarHBondContact O-N 3.35Å; N244-G248 PolarHBondContact O-N 3.46Å | ||
| 245 | K | 85.5 | Confident | 81.5 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -29.8 | -174.9 | -62.3 | -169.2 | -179.9 | -164.8 | 0 | 113.4 | I229 D231 I243 L249 L354 | I229-K245 HydrophobicContact CG2-CB 4.31Å; I229-K245 HydrophobicContact CG2-CG 4.3Å; I229-K245 WeakPolarHBondContact O-CE 3.43Å; I229-K245 PolarHBondContact O-NZ 2.91Å; D231-K245 WeakPolarHBondContact OD1-CE 3.42Å; D231-K245 IonicContact OD1-NZ 3.24Å; D231-K245 PolarHBondContact OD1-NZ 3.04Å; D231-K245 IonicContact OD2-NZ 2.76Å; D231-K245 PolarHBondContact OD2-NZ 2.94Å; I243-K245 PolarHBondContact O-N 3.01Å; I243-K245 VanDerWaalsContact O-N 3.12Å; K245-L249 WeakPolarHBondContact O-CB 3.49Å; K245-L249 VanDerWaalsContact O-CG 3.26Å; K245-L249 WeakPolarHBondContact O-CG 3.33Å; K245-L249 PolarHBondContact O-N 3.47Å; K245-L354 HydrophobicContact CB-CD1 4.31Å |
| 246 | V | 84.8 | Confident | 81.9 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.3 | -45 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 111 | N244 E250 A353 R357 | N244-V246 PolarHBondContact O-N 3.09Å; N244-V246 VanDerWaalsContact O-N 3.12Å; N244-V246 PolarHBondContact OD1-N 2.68Å; N244-V246 VanDerWaalsContact OD1-N 3.11Å; V246-E250 WeakPolarHBondContact O-CB 3.35Å; V246-E250 PolarHBondContact O-N 3.4Å; V246-A353 HydrophobicContact CG2-CB 4.35Å; V246-R357 HydrophobicContact CG1-CG 4Å |
| 247 | L | 85.1 | Confident | 82 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | 174.8 | 179.5 | 65.5 | 0 | 0 | 0 | 111.5 | H153 A165 N244 E250 L251 | H153-L247 HydrophobicContact CB-CD2 4.38Å; H153-L247 VanDerWaalsContact CD2-CD2 3.41Å; H153-L247 WeakPolarHBondContact CD2-CD2 3.41Å; A165-L247 HydrophobicContact CB-CD1 3.9Å; A165-L247 HydrophobicContact CB-CD2 4.37Å; N244-L247 HydrophobicContact CB-CB 4.13Å; N244-L247 PolarHBondContact O-N 3.35Å; L247-E250 PolarHBondContact O-N 2.93Å; L247-L251 WeakPolarHBondContact O-CB 3.48Å; L247-L251 PolarHBondContact O-N 3.26Å |
| 248 | G | 88.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I229 N244 E250 L251 V252 | I229-G248 VanDerWaalsContact CD1-C 3.42Å; N244-G248 PolarHBondContact O-N 3.46Å; G248-E250 PolarHBondContact O-N 3.45Å; G248-L251 PolarHBondContact O-N 3.35Å; G248-V252 WeakPolarHBondContact O-CB 3.21Å; G248-V252 VanDerWaalsContact O-CG2 3.27Å; G248-V252 WeakPolarHBondContact O-CG2 3.25Å; G248-V252 PolarHBondContact O-N 2.85Å |
| 249 | L | 88.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 175.4 | -70.5 | 170.9 | 0 | 0 | 0 | 112.4 | I229 K245 V252 E253 L284 L354 R357 L361 | I229-L249 HydrophobicContact CD1-CD2 4.5Å; I229-L249 HydrophobicContact CG2-CD2 4.31Å; I229-L249 HydrophobicContact CG2-CG 4.26Å; K245-L249 WeakPolarHBondContact O-CB 3.49Å; K245-L249 VanDerWaalsContact O-CG 3.26Å; K245-L249 WeakPolarHBondContact O-CG 3.33Å; K245-L249 PolarHBondContact O-N 3.47Å; L249-V252 PolarHBondContact O-N 2.97Å; L249-E253 VanDerWaalsContact O-CB 3.23Å; L249-E253 WeakPolarHBondContact O-CB 3.45Å; L249-E253 PolarHBondContact O-N 3.12Å; L249-L284 HydrophobicContact CD1-CD1 4.06Å; L249-L284 HydrophobicContact CD2-CD1 3.96Å; L249-L284 HydrophobicContact CG-CD1 4.47Å; L249-L354 HydrophobicContact CD1-CG 4.11Å; L249-R357 HydrophobicContact CB-CB 3.94Å; L249-R357 HydrophobicContact CD1-CB 4.17Å; L249-L361 HydrophobicContact CD2-CD2 3.79Å |
| 250 | E | 86 | Confident | 83.8 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 173.1 | 178 | 176.5 | 144.8 | 0 | 0 | 112.1 | R169 V246 L247 G248 E253 S254 R357 | R169-E250 WeakPolarHBondContact CD-OE1 3.26Å; R169-E250 IonicContact CZ-OE1 3.7Å; R169-E250 VanDerWaalsContact CZ-OE1 3.23Å; R169-E250 IonicContact NE-OE1 3.61Å; R169-E250 PolarHBondContact NE-OE1 3.49Å; R169-E250 IonicContact NH1-OE1 2.99Å; R169-E250 PolarHBondContact NH1-OE1 3.41Å; V246-E250 WeakPolarHBondContact O-CB 3.35Å; V246-E250 PolarHBondContact O-N 3.4Å; L247-E250 PolarHBondContact O-N 2.93Å; G248-E250 PolarHBondContact O-N 3.45Å; E250-E253 PolarHBondContact O-N 2.87Å; E250-S254 VanDerWaalsContact O-CB 3.29Å; E250-S254 WeakPolarHBondContact O-CB 3.4Å; E250-S254 PolarHBondContact O-N 2.84Å; E250-R357 IonicContact OE2-CZ 3.63Å; E250-R357 IonicContact OE2-NH1 2.77Å; E250-R357 PolarHBondContact OE2-NH1 3.05Å; E250-R357 VanDerWaalsContact OE2-NH1 3.09Å; E250-R357 IonicContact OE2-NH2 3.43Å; E250-R357 PolarHBondContact OE2-NH2 2.86Å |
| 251 | L | 88.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 178.1 | -174.2 | 65.3 | 0 | 0 | 0 | 110.7 | F146 V168 R169 A172 V225 L247 G248 S254 L255 | F146-L251 HydrophobicContact CZ-CD2 4.28Å; V168-L251 HydrophobicContact CG1-CD1 4.14Å; V168-L251 HydrophobicContact CG1-CD2 3.74Å; R169-L251 HydrophobicContact CG-CD1 3.99Å; A172-L251 HydrophobicContact CB-CD1 3.73Å; V225-L251 HydrophobicContact CG1-CD2 4.17Å; V225-L251 HydrophobicContact CG2-CD2 3.99Å; L247-L251 WeakPolarHBondContact O-CB 3.48Å; L247-L251 PolarHBondContact O-N 3.26Å; G248-L251 PolarHBondContact O-N 3.35Å; L251-S254 PolarHBondContact O-N 2.91Å; L251-L255 HydrophobicContact CD1-CD1 4.32Å; L251-L255 HydrophobicContact CD1-CG 4.46Å; L251-L255 HydrophobicContact CG-CD1 3.99Å; L251-L255 WeakPolarHBondContact O-CB 3.17Å; L251-L255 VanDerWaalsContact O-CG 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.29Å; L251-L255 PolarHBondContact O-N 3.37Å |
| 252 | V | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 111 | F222 V225 I229 G248 L249 S254 L255 I256 L277 L361 | F222-V252 HydrophobicContact CE2-CG1 4.36Å; V225-V252 HydrophobicContact CG1-CG2 3.66Å; I229-V252 HydrophobicContact CD1-CG2 3.93Å; G248-V252 WeakPolarHBondContact O-CB 3.21Å; G248-V252 VanDerWaalsContact O-CG2 3.27Å; G248-V252 WeakPolarHBondContact O-CG2 3.25Å; G248-V252 PolarHBondContact O-N 2.85Å; L249-V252 PolarHBondContact O-N 2.97Å; V252-S254 VanDerWaalsContact C-N 3.31Å; V252-S254 PolarHBondContact O-N 3.43Å; V252-L255 PolarHBondContact O-N 2.89Å; V252-I256 HydrophobicContact CG1-CD1 3.5Å; V252-I256 HydrophobicContact CG1-CG1 4.44Å; V252-I256 VanDerWaalsContact O-CB 3.29Å; V252-I256 WeakPolarHBondContact O-CB 3.41Å; V252-I256 WeakPolarHBondContact O-CD1 3.33Å; V252-I256 WeakPolarHBondContact O-CG1 3.29Å; V252-I256 PolarHBondContact O-N 3.12Å; V252-L277 HydrophobicContact CG1-CD1 3.38Å; V252-L361 HydrophobicContact CG1-CD1 3.96Å; V252-L361 HydrophobicContact CG1-CD2 4.2Å |
| 253 | E | 89.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 27.3 Ų | 27.3 | 9% | 0.089 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52 | -49.6 | 172.9 | -176.8 | -170.3 | 160.7 | 0 | 0 | 110.7 | L249 E250 F257 R357 R360 V364 | L249-E253 VanDerWaalsContact O-CB 3.23Å; L249-E253 WeakPolarHBondContact O-CB 3.45Å; L249-E253 PolarHBondContact O-N 3.12Å; E250-E253 PolarHBondContact O-N 2.87Å; E253-F257 WeakPolarHBondContact O-CB 3.27Å; E253-F257 PolarHBondContact O-N 2.96Å; E253-R357 IonicContact OE2-NH1 3.23Å; E253-R360 IonicContact OE1-CZ 3.08Å; E253-R360 VanDerWaalsContact OE1-CZ 3.23Å; E253-R360 IonicContact OE1-NE 3.82Å; E253-R360 PolarHBondContact OE1-NE 3.43Å; E253-R360 IonicContact OE1-NH2 3.55Å; E253-R360 PolarHBondContact OE1-NH2 3.22Å; E253-R360 IonicContact OE2-NE 2.86Å; E253-R360 PolarHBondContact OE2-NE 3.45Å; E253-V364 HydrophobicContact CG-CG2 4.19Å |
| 254 | S | 87.2 | Confident | 85.7 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 27% | 0.273 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.4 | -44.4 | -178.6 | -170.6 | 0 | 0 | 0 | 0 | 113.3 | E250 L251 V252 S258 | E250-S254 VanDerWaalsContact O-CB 3.29Å; E250-S254 WeakPolarHBondContact O-CB 3.4Å; E250-S254 PolarHBondContact O-N 2.84Å; L251-S254 PolarHBondContact O-N 2.91Å; V252-S254 VanDerWaalsContact C-N 3.31Å; V252-S254 PolarHBondContact O-N 3.43Å; S254-S258 VanDerWaalsContact O-CB 3.25Å; S254-S258 WeakPolarHBondContact O-CB 3.45Å; S254-S258 PolarHBondContact O-N 3.38Å; S254-S258 PolarHBondContact O-OG 3.05Å |
| 255 | L | 88.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -43.9 | -177.8 | -70.7 | 170.2 | 0 | 0 | 0 | 111.6 | A172 F176 F222 L251 V252 F257 S258 Y259 | A172-L255 HydrophobicContact CB-CD1 4.26Å; A172-L255 HydrophobicContact CB-CD2 3.93Å; F176-L255 HydrophobicContact CD2-CD2 3.73Å; F176-L255 HydrophobicContact CE2-CD1 4.04Å; F176-L255 HydrophobicContact CE2-CD2 3.91Å; F176-L255 HydrophobicContact CE2-CG 4.49Å; F176-L255 HydrophobicContact CG-CD2 4.06Å; F176-L255 HydrophobicContact CZ-CD1 4.34Å; F176-L255 HydrophobicContact CZ-CD2 4.4Å; F222-L255 HydrophobicContact CD2-CD1 4.37Å; L251-L255 HydrophobicContact CD1-CD1 4.32Å; L251-L255 HydrophobicContact CD1-CG 4.46Å; L251-L255 HydrophobicContact CG-CD1 3.99Å; L251-L255 WeakPolarHBondContact O-CB 3.17Å; L251-L255 VanDerWaalsContact O-CG 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.29Å; L251-L255 PolarHBondContact O-N 3.37Å; V252-L255 PolarHBondContact O-N 2.89Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-S258 PolarHBondContact O-N 3.38Å; L255-Y259 HydrophobicContact CD2-CD2 4.2Å; L255-Y259 HydrophobicContact CD2-CE2 3.97Å; L255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L255-Y259 PolarHBondContact O-N 2.95Å; L255-Y259 VanDerWaalsContact O-N 3.09Å |
| 256 | I | 89 | Confident | 85 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 178 | -68.2 | 172.6 | 0 | 0 | 0 | 110.8 | F222 V252 F263 L273 L277 L361 V364 Y369 | F222-I256 HydrophobicContact CE2-CD1 4.09Å; F222-I256 HydrophobicContact CE2-CG1 3.81Å; F222-I256 HydrophobicContact CZ-CD1 3.9Å; F222-I256 HydrophobicContact CZ-CG1 3.94Å; V252-I256 HydrophobicContact CG1-CD1 3.5Å; V252-I256 HydrophobicContact CG1-CG1 4.44Å; V252-I256 VanDerWaalsContact O-CB 3.29Å; V252-I256 WeakPolarHBondContact O-CB 3.41Å; V252-I256 WeakPolarHBondContact O-CD1 3.33Å; V252-I256 WeakPolarHBondContact O-CG1 3.29Å; V252-I256 PolarHBondContact O-N 3.12Å; I256-F263 HydrophobicContact CG1-CE2 4.45Å; I256-F263 HydrophobicContact CG1-CZ 4.38Å; I256-L273 HydrophobicContact CD1-CD2 4.09Å; I256-L273 HydrophobicContact CG1-CD2 4.22Å; I256-L277 HydrophobicContact CD1-CD1 4.17Å; I256-L277 HydrophobicContact CD1-CD2 3.33Å; I256-L277 HydrophobicContact CD1-CG 4.38Å; I256-L361 HydrophobicContact CD1-CD1 3.98Å; I256-V364 HydrophobicContact CB-CG1 4.39Å; I256-V364 HydrophobicContact CG2-CG1 3.67Å; I256-Y369 HydrophobicContact CG2-CD2 3.94Å; I256-Y369 HydrophobicContact CG2-CE2 3.16Å; I256-Y369 PolarHBondContact O-OH 3.44Å |
| 257 | F | 86.8 | Confident | 84.6 | Confident | 118 Ų | 118 | 35 Ų | 35 | 52% | 0.518 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.9 | -37.4 | 177.9 | -178.2 | -101.6 | 0 | 0 | 0 | 113 | E253 L255 V364 H368 | E253-F257 WeakPolarHBondContact O-CB 3.27Å; E253-F257 PolarHBondContact O-N 2.96Å; L255-F257 VanDerWaalsContact C-N 3.34Å; F257-V364 HydrophobicContact CB-CG1 4.07Å; F257-V364 HydrophobicContact CD2-CG1 4.45Å; F257-V364 HydrophobicContact CD2-CG2 4.35Å; F257-H368 AromaticContact CD2-CE1 3.71Å; F257-H368 AromaticContact CE2-CE1 3.8Å |
| 258 | S | 85.8 | Confident | 84.2 | Confident | 60 Ų | 60 | 34.6 Ų | 34.6 | 42% | 0.42 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -79.2 | -25.4 | -177.6 | -64.1 | 0 | 0 | 0 | 0 | 114.5 | S254 L255 | S254-S258 VanDerWaalsContact O-CB 3.25Å; S254-S258 WeakPolarHBondContact O-CB 3.45Å; S254-S258 PolarHBondContact O-N 3.38Å; S254-S258 PolarHBondContact O-OG 3.05Å; L255-S258 PolarHBondContact O-N 3.38Å |
| 259 | Y | 87.1 | Confident | 84 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | trans | -125.4 | 46 | -171.4 | -56 | -66.7 | 0 | 0 | 0 | 115.2 | S173 F176 D177 F180 L255 S261 L262 F263 | S173-Y259 VanDerWaalsContact CA-OH 3.22Å; S173-Y259 WeakPolarHBondContact CA-OH 3.37Å; S173-Y259 WeakPolarHBondContact CB-OH 3.28Å; S173-Y259 PolarHBondContact O-OH 3.42Å; F176-Y259 HydrophobicContact CB-CD1 4.26Å; F176-Y259 HydrophobicContact CB-CD2 3.61Å; F176-Y259 HydrophobicContact CB-CE1 3.99Å; F176-Y259 HydrophobicContact CB-CE2 3.34Å; F176-Y259 HydrophobicContact CB-CG 4.07Å; F176-Y259 AromaticContact CD1-CD2 3.53Å; F176-Y259 HydrophobicContact CD1-CD2 3.53Å; F176-Y259 HydrophobicContact CD1-CE2 4.14Å; F176-Y259 AromaticContact CD1-CG 3.88Å; F176-Y259 HydrophobicContact CD1-CG 3.88Å; F176-Y259 HydrophobicContact CE1-CD2 4.45Å; F176-Y259 AromaticContact CG-CD2 3.77Å; F176-Y259 HydrophobicContact CG-CD2 3.77Å; F176-Y259 AromaticContact CG-CE2 3.87Å; F176-Y259 HydrophobicContact CG-CE2 3.87Å; F176-Y259 HydrophobicContact CG-CG 4.37Å; D177-Y259 WeakPolarHBondContact OD1-CE1 3.33Å; D177-Y259 PolarHBondContact OD1-OH 3.01Å; F180-Y259 HydrophobicContact CD2-CD1 4.17Å; F180-Y259 HydrophobicContact CD2-CE1 4.39Å; F180-Y259 AromaticContact CE2-CD1 3.44Å; F180-Y259 HydrophobicContact CE2-CD1 3.44Å; F180-Y259 VanDerWaalsContact CE2-CD1 3.44Å; F180-Y259 HydrophobicContact CE2-CE1 4.09Å; F180-Y259 HydrophobicContact CE2-CG 4.24Å; F180-Y259 HydrophobicContact CZ-CD1 4.23Å; L255-Y259 HydrophobicContact CD2-CD2 4.2Å; L255-Y259 HydrophobicContact CD2-CE2 3.97Å; L255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L255-Y259 PolarHBondContact O-N 2.95Å; L255-Y259 VanDerWaalsContact O-N 3.09Å; Y259-S261 VanDerWaalsContact C-N 3.3Å; Y259-S261 PolarHBondContact O-N 3.45Å; Y259-L262 PolarHBondContact O-N 3.49Å; Y259-L262 VanDerWaalsContact O-N 3.13Å; Y259-F263 WeakPolarHBondContact O-CD2 3.5Å; Y259-F263 PolarHBondContact O-N 3.32Å | ||
| 260 | P | 80.9 | Confident | 83.7 | Confident | 45 Ų | 45 | 34.9 Ų | 34.9 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.9 | -34.7 | -174.1 | 26.1 | -35.2 | 0 | 0 | 0 | 113.9 | L262 F263 C264 Y369 | P260-L262 PolarHBondContact O-N 2.89Å; P260-F263 PolarHBondContact O-N 3.24Å; P260-C264 VanDerWaalsContact O-CB 3.28Å; P260-C264 WeakPolarHBondContact O-CB 3.4Å; P260-C264 PolarHBondContact O-N 3.32Å; P260-C264 PolarHBondContact O-SG 3.47Å; P260-C264 VanDerWaalsContact O-SG 3.36Å; P260-Y369 WeakPolarHBondContact CA-OH 3.02Å |
| 261 | S | 77.7 | Confident | 83.6 | Confident | 48 Ų | 48 | 36.3 Ų | 36.3 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 175.5 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | F180 Y259 Q265 | F180-S261 WeakPolarHBondContact CE1-OG 3.29Å; F180-S261 WeakPolarHBondContact CZ-OG 3.04Å; Y259-S261 VanDerWaalsContact C-N 3.3Å; Y259-S261 PolarHBondContact O-N 3.45Å; S261-Q265 WeakPolarHBondContact O-CB 3.37Å; S261-Q265 VanDerWaalsContact O-CG 3.26Å; S261-Q265 WeakPolarHBondContact O-CG 3.41Å; S261-Q265 PolarHBondContact O-N 2.65Å |
| 262 | L | 82.6 | Confident | 83.4 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -48.6 | 179.9 | -179.4 | 65.3 | 0 | 0 | 0 | 111.4 | F176 V179 F180 Y259 P260 C264 H266 F269 | F176-L262 HydrophobicContact CD1-CD2 3.57Å; F176-L262 HydrophobicContact CE1-CD2 3.78Å; V179-L262 HydrophobicContact CG1-CD1 3.8Å; F180-L262 HydrophobicContact CE2-CB 4.21Å; F180-L262 HydrophobicContact CZ-CB 3.82Å; Y259-L262 PolarHBondContact O-N 3.49Å; Y259-L262 VanDerWaalsContact O-N 3.13Å; P260-L262 PolarHBondContact O-N 2.89Å; L262-C264 PolarHBondContact O-N 2.75Å; L262-H266 HydrophobicContact CD1-CB 4.41Å; L262-H266 WeakPolarHBondContact O-CB 3.22Å; L262-H266 PolarHBondContact O-N 3.35Å; L262-H266 VanDerWaalsContact O-N 3.16Å; L262-F269 HydrophobicContact CD1-CD2 3.97Å; L262-F269 HydrophobicContact CD1-CE2 3.78Å; L262-F269 HydrophobicContact CD1-CZ 4.38Å; L262-F269 HydrophobicContact CD2-CD1 4.33Å; L262-F269 HydrophobicContact CD2-CD2 4.42Å; L262-F269 HydrophobicContact CD2-CE1 4Å; L262-F269 HydrophobicContact CD2-CE2 4.08Å; L262-F269 HydrophobicContact CD2-CZ 3.87Å; L262-F269 HydrophobicContact CG-CD1 4.43Å; L262-F269 HydrophobicContact CG-CD2 3.92Å; L262-F269 HydrophobicContact CG-CE1 4.47Å; L262-F269 HydrophobicContact CG-CE2 3.95Å; L262-F269 HydrophobicContact CG-CG 4.16Å; L262-F269 HydrophobicContact CG-CZ 4.25Å |
| 263 | F | 85.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.4 | -27.7 | -178 | -76.8 | -81.2 | 0 | 0 | 0 | 113.8 | F176 F222 I256 Y259 P260 F269 A270 L273 Y369 | F176-F263 HydrophobicContact CD1-CE2 4.44Å; F176-F263 AromaticContact CE1-CE2 3.65Å; F176-F263 HydrophobicContact CE1-CE2 3.65Å; F176-F263 AromaticContact CE1-CZ 3.68Å; F176-F263 HydrophobicContact CE1-CZ 3.68Å; F176-F263 HydrophobicContact CZ-CE2 4.41Å; F176-F263 HydrophobicContact CZ-CZ 4.04Å; F222-F263 AromaticContact CD1-CE1 3.97Å; F222-F263 HydrophobicContact CD1-CE1 3.97Å; F222-F263 HydrophobicContact CD1-CZ 4.43Å; F222-F263 AromaticContact CD2-CE1 4Å; F222-F263 HydrophobicContact CD2-CE1 4Å; F222-F263 AromaticContact CD2-CZ 3.63Å; F222-F263 HydrophobicContact CD2-CZ 3.63Å; F222-F263 AromaticContact CE1-CE1 3.83Å; F222-F263 HydrophobicContact CE1-CE1 3.83Å; F222-F263 HydrophobicContact CE1-CZ 4.41Å; F222-F263 AromaticContact CE2-CE1 3.86Å; F222-F263 HydrophobicContact CE2-CE1 3.86Å; F222-F263 AromaticContact CE2-CZ 3.62Å; F222-F263 HydrophobicContact CE2-CZ 3.62Å; F222-F263 HydrophobicContact CG-CE1 4.04Å; F222-F263 HydrophobicContact CG-CZ 4.05Å; F222-F263 AromaticContact CZ-CE1 3.77Å; F222-F263 HydrophobicContact CZ-CE1 3.77Å; F222-F263 HydrophobicContact CZ-CZ 4.03Å; I256-F263 HydrophobicContact CG1-CE2 4.45Å; I256-F263 HydrophobicContact CG1-CZ 4.38Å; Y259-F263 WeakPolarHBondContact O-CD2 3.5Å; Y259-F263 PolarHBondContact O-N 3.32Å; P260-F263 PolarHBondContact O-N 3.24Å; F263-F269 HydrophobicContact CB-CB 4.46Å; F263-F269 HydrophobicContact CD1-CB 3.68Å; F263-F269 HydrophobicContact CD1-CD1 4.13Å; F263-F269 HydrophobicContact CD1-CG 4.35Å; F263-F269 HydrophobicContact CE1-CB 4.24Å; F263-F269 AromaticContact CE1-CD1 3.85Å; F263-F269 HydrophobicContact CE1-CD1 3.85Å; F263-F269 HydrophobicContact CG-CB 4.23Å; F263-F269 HydrophobicContact CZ-CD1 4.29Å; F263-A270 WeakPolarHBondContact O-CA 3.28Å; F263-A270 PolarHBondContact O-N 3.13Å; F263-L273 HydrophobicContact CB-CD1 3.98Å; F263-L273 HydrophobicContact CD1-CD1 4.04Å; F263-L273 HydrophobicContact CD1-CD2 3.81Å; F263-L273 HydrophobicContact CD1-CG 3.83Å; F263-L273 HydrophobicContact CE1-CD2 4.08Å; F263-L273 HydrophobicContact CE1-CG 4.47Å; F263-L273 HydrophobicContact CG-CD1 4.36Å; F263-Y369 HydrophobicContact CB-CE1 3.48Å; F263-Y369 VanDerWaalsContact CB-CE1 3.48Å; F263-Y369 HydrophobicContact CG-CE1 4.43Å |
| 264 | C | 79 | Confident | 82.9 | Confident | 59 Ų | 59 | 39.7 Ų | 39.7 | 40% | 0.399 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -89.4 | -37.3 | 177.8 | -69.1 | 0 | 0 | 0 | 0 | 114 | P260 L262 Y369 | P260-C264 VanDerWaalsContact O-CB 3.28Å; P260-C264 WeakPolarHBondContact O-CB 3.4Å; P260-C264 PolarHBondContact O-N 3.32Å; P260-C264 PolarHBondContact O-SG 3.47Å; P260-C264 VanDerWaalsContact O-SG 3.36Å; L262-C264 PolarHBondContact O-N 2.75Å; C264-Y369 VanDerWaalsContact SG-CE1 3.53Å |
| 265 | Q | 75.4 | Confident | 82.7 | Confident | 158 Ų | 158 | 40.2 Ų | 40.2 | 74% | 0.738 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -85.8 | -30.8 | -175.2 | -64.2 | 178.2 | 2 | 0 | 0 | 112.7 | S261 | S261-Q265 WeakPolarHBondContact O-CB 3.37Å; S261-Q265 VanDerWaalsContact O-CG 3.26Å; S261-Q265 WeakPolarHBondContact O-CG 3.41Å; S261-Q265 PolarHBondContact O-N 2.65Å |
| 266 | H | 77.8 | Confident | 82.5 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 22% | 0.222 | 22% | 0.221 | C | C | . | . | trans | -98.3 | 117.5 | -175.1 | -140.9 | -91.7 | 0 | 0 | 0 | 111.4 | E215 L262 A268 F269 A270 | E215-H266 VanDerWaalsContact CD-CE1 3.43Å; E215-H266 IonicContact OE1-CE1 3.38Å; E215-H266 PolarHBondContact OE1-CE1 3.4Å; E215-H266 IonicContact OE1-CG 3.52Å; E215-H266 IonicContact OE1-ND1 3.66Å; E215-H266 PolarHBondContact OE1-ND1 2.93Å; E215-H266 IonicContact OE1-NE2 2.8Å; E215-H266 IonicContact OE2-CE1 3.52Å; L262-H266 HydrophobicContact CD1-CB 4.41Å; L262-H266 WeakPolarHBondContact O-CB 3.22Å; L262-H266 PolarHBondContact O-N 3.35Å; L262-H266 VanDerWaalsContact O-N 3.16Å; H266-A268 PolarHBondContact O-N 3.22Å; H266-A268 VanDerWaalsContact O-N 3.12Å; H266-F269 HydrophobicContact CB-CD2 4.05Å; H266-F269 PolarHBondContact O-N 2.79Å; H266-F269 VanDerWaalsContact O-N 3.12Å; H266-A270 PolarHBondContact O-N 3.09Å; H266-A270 VanDerWaalsContact O-N 3.16Å | ||
| 267 | P | 76.4 | Confident | 82.5 | Confident | 70 Ų | 70 | 41.6 Ų | 41.6 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -26.7 | -169.9 | 24.1 | -34.2 | 0 | 0 | 0 | 113.3 | Y271 | P267-Y271 WeakPolarHBondContact O-CB 3.36Å; P267-Y271 PolarHBondContact O-N 3.22Å |
| 268 | A | 77.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V206 L211 Y219 H266 Y271 L272 | V206-A268 HydrophobicContact CB-CB 4.17Å; V206-A268 HydrophobicContact CG1-CB 4.15Å; V206-A268 HydrophobicContact CG2-CB 4.09Å; L211-A268 HydrophobicContact CD1-CB 4.34Å; L211-A268 HydrophobicContact CD2-CB 3.85Å; Y219-A268 HydrophobicContact CD2-CB 3.82Å; Y219-A268 HydrophobicContact CE2-CB 3.78Å; Y219-A268 WeakPolarHBondContact CE2-O 3.22Å; H266-A268 PolarHBondContact O-N 3.22Å; H266-A268 VanDerWaalsContact O-N 3.12Å; A268-Y271 WeakPolarHBondContact O-CB 3.4Å; A268-Y271 PolarHBondContact O-N 2.95Å; A268-L272 PolarHBondContact O-N 3.36Å |
| 269 | F | 84.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73 | -35.4 | 178.2 | -71.6 | -89.5 | 0 | 0 | 0 | 111.7 | F176 E215 A218 L262 F263 H266 Y271 L272 L273 | F176-F269 HydrophobicContact CE1-CE1 4.11Å; F176-F269 HydrophobicContact CZ-CE1 4.25Å; E215-F269 HydrophobicContact CG-CE2 3.61Å; E215-F269 HydrophobicContact CG-CZ 4.16Å; A218-F269 HydrophobicContact CB-CE1 4.15Å; A218-F269 HydrophobicContact CB-CZ 3.92Å; L262-F269 HydrophobicContact CD1-CD2 3.97Å; L262-F269 HydrophobicContact CD1-CE2 3.78Å; L262-F269 HydrophobicContact CD1-CZ 4.38Å; L262-F269 HydrophobicContact CD2-CD1 4.33Å; L262-F269 HydrophobicContact CD2-CD2 4.42Å; L262-F269 HydrophobicContact CD2-CE1 4Å; L262-F269 HydrophobicContact CD2-CE2 4.08Å; L262-F269 HydrophobicContact CD2-CZ 3.87Å; L262-F269 HydrophobicContact CG-CD1 4.43Å; L262-F269 HydrophobicContact CG-CD2 3.92Å; L262-F269 HydrophobicContact CG-CE1 4.47Å; L262-F269 HydrophobicContact CG-CE2 3.95Å; L262-F269 HydrophobicContact CG-CG 4.16Å; L262-F269 HydrophobicContact CG-CZ 4.25Å; F263-F269 HydrophobicContact CB-CB 4.46Å; F263-F269 HydrophobicContact CD1-CB 3.68Å; F263-F269 HydrophobicContact CD1-CD1 4.13Å; F263-F269 HydrophobicContact CD1-CG 4.35Å; F263-F269 HydrophobicContact CE1-CB 4.24Å; F263-F269 AromaticContact CE1-CD1 3.85Å; F263-F269 HydrophobicContact CE1-CD1 3.85Å; F263-F269 HydrophobicContact CG-CB 4.23Å; F263-F269 HydrophobicContact CZ-CD1 4.29Å; H266-F269 HydrophobicContact CB-CD2 4.05Å; H266-F269 PolarHBondContact O-N 2.79Å; H266-F269 VanDerWaalsContact O-N 3.12Å; F269-Y271 VanDerWaalsContact C-N 3.3Å; F269-Y271 PolarHBondContact O-N 3.36Å; F269-L272 PolarHBondContact O-N 2.97Å; F269-L273 PolarHBondContact O-N 3.39Å; F269-L273 VanDerWaalsContact O-N 3.15Å |
| 270 | A | 82.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -41.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F263 H266 L273 K274 L372 | F263-A270 WeakPolarHBondContact O-CA 3.28Å; F263-A270 PolarHBondContact O-N 3.13Å; H266-A270 PolarHBondContact O-N 3.09Å; H266-A270 VanDerWaalsContact O-N 3.16Å; A270-L273 PolarHBondContact O-N 3.03Å; A270-K274 PolarHBondContact O-N 3.45Å; A270-L372 HydrophobicContact CB-CD1 4.02Å; A270-L372 HydrophobicContact CB-CD2 3.72Å; A270-L372 HydrophobicContact CB-CG 4.48Å |
| 271 | Y | 82.4 | Confident | 82.8 | Confident | 66 Ų | 66 | 33.1 Ų | 33.1 | 26% | 0.259 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 173.4 | -175.9 | -98.6 | 0 | 0 | 0 | 111.9 | I203 P205 P267 A268 F269 L273 K274 T275 | I203-Y271 HydrophobicContact CG2-CD2 3.96Å; I203-Y271 HydrophobicContact CG2-CG 4.37Å; P205-Y271 HydrophobicContact CB-CE2 4.18Å; P267-Y271 WeakPolarHBondContact O-CB 3.36Å; P267-Y271 PolarHBondContact O-N 3.22Å; A268-Y271 WeakPolarHBondContact O-CB 3.4Å; A268-Y271 PolarHBondContact O-N 2.95Å; F269-Y271 VanDerWaalsContact C-N 3.3Å; F269-Y271 PolarHBondContact O-N 3.36Å; Y271-L273 VanDerWaalsContact C-N 3.3Å; Y271-L273 PolarHBondContact O-N 3.38Å; Y271-K274 PolarHBondContact O-N 3.48Å; Y271-T275 HydrophobicContact CD1-CG2 4.13Å; Y271-T275 HydrophobicContact CD2-CG2 4.05Å; Y271-T275 HydrophobicContact CE1-CG2 3.76Å; Y271-T275 HydrophobicContact CE2-CG2 3.68Å; Y271-T275 HydrophobicContact CG-CG2 4.26Å; Y271-T275 PolarHBondContact O-N 3.3Å; Y271-T275 PolarHBondContact O-OG1 2.67Å; Y271-T275 VanDerWaalsContact O-OG1 3.14Å |
| 272 | L | 84.5 | Confident | 83 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -35.6 | 179 | -73.8 | 178.9 | 0 | 0 | 0 | 113.8 | Y219 F222 Q223 A268 F269 N276 L277 | Y219-L272 HydrophobicContact CD1-CD1 4.06Å; Y219-L272 HydrophobicContact CD2-CD1 3.41Å; Y219-L272 VanDerWaalsContact CD2-CD1 3.41Å; Y219-L272 HydrophobicContact CD2-CG 4Å; Y219-L272 HydrophobicContact CE1-CD1 4.08Å; Y219-L272 HydrophobicContact CE1-CD2 4.13Å; Y219-L272 HydrophobicContact CE1-CG 4.36Å; Y219-L272 HydrophobicContact CE2-CD1 3.47Å; Y219-L272 VanDerWaalsContact CE2-CD1 3.47Å; Y219-L272 HydrophobicContact CE2-CD2 4.07Å; Y219-L272 HydrophobicContact CE2-CG 3.51Å; Y219-L272 HydrophobicContact CG-CD1 3.71Å; Y219-L272 WeakPolarHBondContact O-CD1 3.32Å; F222-L272 HydrophobicContact CB-CD1 4.48Å; F222-L272 HydrophobicContact CD1-CB 4.01Å; F222-L272 HydrophobicContact CD1-CD1 4.03Å; F222-L272 HydrophobicContact CE1-CB 4.21Å; Q223-L272 HydrophobicContact CB-CD1 4.36Å; Q223-L272 HydrophobicContact CB-CD2 3.88Å; Q223-L272 HydrophobicContact CG-CD2 4.37Å; A268-L272 PolarHBondContact O-N 3.36Å; F269-L272 PolarHBondContact O-N 2.97Å; L272-N276 WeakPolarHBondContact O-CB 3.34Å; L272-N276 PolarHBondContact O-N 3.43Å; L272-L277 PolarHBondContact O-N 2.95Å |
| 273 | L | 86.1 | Confident | 83 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -61 | -48.3 | 173 | -66.1 | 178.9 | 0 | 0 | 0 | 110.8 | F222 I256 F263 F269 A270 Y271 L277 C278 Y369 L372 L373 | F222-L273 HydrophobicContact CE1-CD2 4.17Å; F222-L273 HydrophobicContact CZ-CD2 3.93Å; I256-L273 HydrophobicContact CD1-CD2 4.09Å; I256-L273 HydrophobicContact CG1-CD2 4.22Å; F263-L273 HydrophobicContact CB-CD1 3.98Å; F263-L273 HydrophobicContact CD1-CD1 4.04Å; F263-L273 HydrophobicContact CD1-CD2 3.81Å; F263-L273 HydrophobicContact CD1-CG 3.83Å; F263-L273 HydrophobicContact CE1-CD2 4.08Å; F263-L273 HydrophobicContact CE1-CG 4.47Å; F263-L273 HydrophobicContact CG-CD1 4.36Å; F269-L273 PolarHBondContact O-N 3.39Å; F269-L273 VanDerWaalsContact O-N 3.15Å; A270-L273 PolarHBondContact O-N 3.03Å; Y271-L273 VanDerWaalsContact C-N 3.3Å; Y271-L273 PolarHBondContact O-N 3.38Å; L273-L277 HydrophobicContact CD2-CD2 3.54Å; L273-L277 WeakPolarHBondContact O-CB 3.14Å; L273-L277 PolarHBondContact O-N 3.11Å; L273-C278 PolarHBondContact O-N 3.32Å; L273-C278 PolarHBondContact O-SG 2.65Å; L273-Y369 HydrophobicContact CD1-CD1 3.38Å; L273-Y369 HydrophobicContact CD1-CE1 3.54Å; L273-Y369 HydrophobicContact CD1-CG 4.07Å; L273-L372 HydrophobicContact CD1-CD2 3.97Å; L273-L373 HydrophobicContact CB-CD1 4.2Å; L273-L373 HydrophobicContact CB-CD2 4.35Å |
| 274 | K | 83.8 | Confident | 82.8 | Confident | 92 Ų | 92 | 37.7 Ų | 37.7 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -70.2 | -39.7 | -176.9 | -167.2 | 172.3 | -177.9 | 175.6 | 0 | 113.1 | I203 A270 Y271 P279 L373 | I203-K274 HydrophobicContact CD1-CD 4.35Å; A270-K274 PolarHBondContact O-N 3.45Å; Y271-K274 PolarHBondContact O-N 3.48Å; K274-P279 WeakPolarHBondContact O-CD 3.38Å; K274-L373 HydrophobicContact CB-CD2 3.95Å; K274-L373 HydrophobicContact CG-CD2 4.32Å |
| 275 | T | 82.4 | Confident | 82.6 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 31% | 0.307 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -91.8 | -32.1 | -173.5 | 61 | 0 | 0 | 0 | 0 | 114.9 | Y271 P279 | Y271-T275 HydrophobicContact CD1-CG2 4.13Å; Y271-T275 HydrophobicContact CD2-CG2 4.05Å; Y271-T275 HydrophobicContact CE1-CG2 3.76Å; Y271-T275 HydrophobicContact CE2-CG2 3.68Å; Y271-T275 HydrophobicContact CG-CG2 4.26Å; Y271-T275 PolarHBondContact O-N 3.3Å; Y271-T275 PolarHBondContact O-OG1 2.67Å; Y271-T275 VanDerWaalsContact O-OG1 3.14Å; T275-P279 WeakPolarHBondContact O-CG 3.23Å |
| 276 | N | 85.5 | Confident | 82.3 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 16% | 0.16 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -112.4 | -46.8 | -170.8 | -61.2 | 20.1 | 0 | 0 | 0 | 111.4 | C226 L272 L280 | C226-N276 HydrophobicContact CB-CB 4.06Å; L272-N276 WeakPolarHBondContact O-CB 3.34Å; L272-N276 PolarHBondContact O-N 3.43Å; N276-L280 VanDerWaalsContact O-CB 3.22Å; N276-L280 WeakPolarHBondContact O-CB 3.39Å; N276-L280 PolarHBondContact O-N 3.09Å |
| 277 | L | 88.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -72.8 | -51.6 | -178.4 | 179.3 | 71.8 | 0 | 0 | 0 | 112 | V252 I256 L272 L273 L280 V281 L361 I365 | V252-L277 HydrophobicContact CG1-CD1 3.38Å; I256-L277 HydrophobicContact CD1-CD1 4.17Å; I256-L277 HydrophobicContact CD1-CD2 3.33Å; I256-L277 HydrophobicContact CD1-CG 4.38Å; L272-L277 PolarHBondContact O-N 2.95Å; L273-L277 HydrophobicContact CD2-CD2 3.54Å; L273-L277 WeakPolarHBondContact O-CB 3.14Å; L273-L277 PolarHBondContact O-N 3.11Å; L277-L280 WeakPolarHBondContact O-CB 3.26Å; L277-L280 PolarHBondContact O-N 3.26Å; L277-L280 VanDerWaalsContact O-N 3.16Å; L277-V281 HydrophobicContact CD1-CG2 4.27Å; L277-V281 HydrophobicContact CG-CG2 4.37Å; L277-V281 WeakPolarHBondContact O-CG2 3.43Å; L277-V281 PolarHBondContact O-N 3.04Å; L277-L361 HydrophobicContact CD1-CD2 4.16Å; L277-I365 HydrophobicContact CD2-CD1 3.82Å; L277-I365 HydrophobicContact CD2-CG1 4.1Å; L277-I365 HydrophobicContact CG-CD1 4.28Å |
| 278 | C | 88.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | -172.9 | -78.4 | 0 | 0 | 0 | 0 | 113.3 | L273 L280 V281 I282 E376 Y380 | L273-C278 PolarHBondContact O-N 3.32Å; L273-C278 PolarHBondContact O-SG 2.65Å; C278-L280 VanDerWaalsContact C-N 3.34Å; C278-L280 PolarHBondContact O-N 3.13Å; C278-V281 PolarHBondContact O-N 3.23Å; C278-I282 WeakPolarHBondContact O-CG1 3.42Å; C278-I282 PolarHBondContact O-N 3.02Å; C278-E376 HydrophobicContact CB-CB 4.11Å; C278-E376 HydrophobicContact CB-CG 3.7Å; C278-Y380 WeakPolarHBondContact CA-OH 3.49Å; C278-Y380 WeakPolarHBondContact CB-OH 3.22Å; C278-Y380 PolarHBondContact O-OH 2.91Å; C278-Y380 PolarHBondContact SG-OH 2.91Å; C278-Y380 VanDerWaalsContact SG-OH 3.33Å |
| 279 | P | 85.8 | Confident | 77.9 | Confident | 63 Ų | 63 | 36 Ų | 36 | 41% | 0.409 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.9 | -35.7 | 172.6 | -27.5 | 39 | 0 | 0 | 0 | 113.5 | K274 T275 I282 K283 | K274-P279 WeakPolarHBondContact O-CD 3.38Å; T275-P279 WeakPolarHBondContact O-CG 3.23Å; P279-I282 PolarHBondContact O-N 2.83Å; P279-K283 WeakPolarHBondContact O-CB 3.15Å; P279-K283 PolarHBondContact O-N 2.96Å |
| 280 | L | 86.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 172.4 | 163.5 | 65.7 | 0 | 0 | 0 | 111.2 | C226 I229 S230 N276 L277 C278 I282 K283 L284 | C226-L280 HydrophobicContact CB-CD2 4.28Å; I229-L280 HydrophobicContact CB-CD1 4.02Å; I229-L280 HydrophobicContact CB-CD2 4Å; I229-L280 HydrophobicContact CD1-CD2 4.13Å; I229-L280 HydrophobicContact CG2-CD1 3.75Å; I229-L280 HydrophobicContact CG2-CD2 4.18Å; S230-L280 VanDerWaalsContact OG-CD1 3.29Å; S230-L280 WeakPolarHBondContact OG-CD1 3.44Å; N276-L280 VanDerWaalsContact O-CB 3.22Å; N276-L280 WeakPolarHBondContact O-CB 3.39Å; N276-L280 PolarHBondContact O-N 3.09Å; L277-L280 WeakPolarHBondContact O-CB 3.26Å; L277-L280 PolarHBondContact O-N 3.26Å; L277-L280 VanDerWaalsContact O-N 3.16Å; C278-L280 VanDerWaalsContact C-N 3.34Å; C278-L280 PolarHBondContact O-N 3.13Å; L280-I282 PolarHBondContact O-N 2.87Å; L280-K283 PolarHBondContact O-N 3.33Å; L280-L284 HydrophobicContact CD1-CD1 3.73Å; L280-L284 HydrophobicContact CD1-CG 3.91Å; L280-L284 HydrophobicContact CG-CD1 4.23Å; L280-L284 WeakPolarHBondContact O-CB 3.34Å; L280-L284 WeakPolarHBondContact O-CG 3.37Å; L280-L284 PolarHBondContact O-N 3.46Å |
| 281 | V | 86.6 | Confident | 72.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L277 C278 L284 F285 L358 L361 V362 I365 Y380 | L277-V281 HydrophobicContact CD1-CG2 4.27Å; L277-V281 HydrophobicContact CG-CG2 4.37Å; L277-V281 WeakPolarHBondContact O-CG2 3.43Å; L277-V281 PolarHBondContact O-N 3.04Å; C278-V281 PolarHBondContact O-N 3.23Å; V281-L284 PolarHBondContact O-N 3.29Å; V281-F285 HydrophobicContact CG1-CD2 4.05Å; V281-F285 HydrophobicContact CG1-CE2 3.7Å; V281-F285 VanDerWaalsContact O-CD2 3.25Å; V281-F285 WeakPolarHBondContact O-CD2 3.38Å; V281-F285 PolarHBondContact O-N 3.16Å; V281-F285 VanDerWaalsContact O-N 3.12Å; V281-L358 HydrophobicContact CB-CD1 4.2Å; V281-L358 HydrophobicContact CG1-CD1 3.83Å; V281-L358 HydrophobicContact CG2-CD1 4.21Å; V281-L361 HydrophobicContact CG2-CD2 3.72Å; V281-L361 HydrophobicContact CG2-CG 4.33Å; V281-V362 HydrophobicContact CG1-CG2 3.92Å; V281-I365 HydrophobicContact CG2-CD1 4.08Å; V281-Y380 HydrophobicContact CB-CE1 4Å; V281-Y380 HydrophobicContact CG1-CD1 4.06Å; V281-Y380 HydrophobicContact CG1-CE1 3.4Å |
| 282 | I | 82.7 | Confident | 70.2 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.185 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.7 | -63.5 | 175.1 | 0 | 0 | 0 | 111.1 | C278 P279 L280 L284 F285 S286 E376 I379 Y380 | C278-I282 WeakPolarHBondContact O-CG1 3.42Å; C278-I282 PolarHBondContact O-N 3.02Å; P279-I282 PolarHBondContact O-N 2.83Å; L280-I282 PolarHBondContact O-N 2.87Å; I282-L284 PolarHBondContact O-N 3.44Å; I282-F285 PolarHBondContact O-N 3.4Å; I282-F285 VanDerWaalsContact O-N 3.09Å; I282-S286 PolarHBondContact O-N 2.81Å; I282-E376 WeakPolarHBondContact CD1-OE2 3.32Å; I282-I379 HydrophobicContact CD1-CD1 4.13Å; I282-I379 HydrophobicContact CD1-CG2 3.99Å; I282-I379 HydrophobicContact CG1-CG2 4.28Å; I282-Y380 HydrophobicContact CD1-CE1 4.42Å; I282-Y380 HydrophobicContact CG1-CD1 4.5Å; I282-Y380 HydrophobicContact CG1-CE1 3.65Å |
| 283 | K | 81.8 | Confident | 67.4 | Low | 95 Ų | 95 | 64 Ų | 64 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.6 | -36.3 | 177 | -170.9 | -175.4 | -171.9 | -174.5 | 0 | 111.5 | S230 D232 P279 L280 S286 | S230-K283 PolarHBondContact O-NZ 3.14Å; D232-K283 IonicContact OD1-NZ 2.9Å; D232-K283 IonicContact OD2-NZ 3.72Å; P279-K283 WeakPolarHBondContact O-CB 3.15Å; P279-K283 PolarHBondContact O-N 2.96Å; L280-K283 PolarHBondContact O-N 3.33Å; K283-S286 PolarHBondContact O-N 3.04Å; K283-S286 PolarHBondContact O-OG 2.94Å |
| 284 | L | 80.5 | Confident | 64.7 | Low | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -78.7 | -23.3 | 176.7 | -69.6 | 178.9 | 0 | 0 | 0 | 114.4 | I229 L249 L280 V281 I282 P287 L354 L358 | I229-L284 HydrophobicContact CG2-CD1 4.13Å; L249-L284 HydrophobicContact CD1-CD1 4.06Å; L249-L284 HydrophobicContact CD2-CD1 3.96Å; L249-L284 HydrophobicContact CG-CD1 4.47Å; L280-L284 HydrophobicContact CD1-CD1 3.73Å; L280-L284 HydrophobicContact CD1-CG 3.91Å; L280-L284 HydrophobicContact CG-CD1 4.23Å; L280-L284 WeakPolarHBondContact O-CB 3.34Å; L280-L284 WeakPolarHBondContact O-CG 3.37Å; L280-L284 PolarHBondContact O-N 3.46Å; V281-L284 PolarHBondContact O-N 3.29Å; I282-L284 PolarHBondContact O-N 3.44Å; L284-P287 WeakPolarHBondContact O-CD 3.19Å; L284-L354 HydrophobicContact CB-CD2 4.49Å; L284-L354 HydrophobicContact CD2-CD1 4.48Å; L284-L354 HydrophobicContact CD2-CD2 4.45Å; L284-L358 HydrophobicContact CB-CD1 3.84Å; L284-L358 HydrophobicContact CB-CD2 3.79Å; L284-L358 HydrophobicContact CB-CG 4.48Å; L284-L358 HydrophobicContact CD1-CD1 4Å |
| 285 | F | 76.2 | Confident | 62.5 | Low | 7 Ų | 7 | 71.2 Ų | 71.2 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -77.9 | -26.6 | 166.6 | -78 | -56.9 | 0 | 0 | 0 | 113 | V281 I282 P287 F355 L358 K359 V362 Y380 L383 F387 | V281-F285 HydrophobicContact CG1-CD2 4.05Å; V281-F285 HydrophobicContact CG1-CE2 3.7Å; V281-F285 VanDerWaalsContact O-CD2 3.25Å; V281-F285 WeakPolarHBondContact O-CD2 3.38Å; V281-F285 PolarHBondContact O-N 3.16Å; V281-F285 VanDerWaalsContact O-N 3.12Å; I282-F285 PolarHBondContact O-N 3.4Å; I282-F285 VanDerWaalsContact O-N 3.09Å; F285-P287 WeakPolarHBondContact O-CD 3.44Å; F285-F355 HydrophobicContact CD1-CE1 4.16Å; F285-F355 HydrophobicContact CE1-CE1 4.39Å; F285-L358 HydrophobicContact CD1-CD2 3.52Å; F285-L358 HydrophobicContact CD1-CG 4.42Å; F285-L358 HydrophobicContact CD2-CD2 4Å; F285-L358 HydrophobicContact CD2-CG 4.39Å; F285-L358 HydrophobicContact CE1-CD2 3.38Å; F285-L358 HydrophobicContact CE1-CG 3.87Å; F285-L358 HydrophobicContact CE2-CD1 4.41Å; F285-L358 HydrophobicContact CE2-CD2 3.91Å; F285-L358 HydrophobicContact CE2-CG 3.87Å; F285-L358 HydrophobicContact CG-CD2 3.8Å; F285-L358 HydrophobicContact CZ-CD2 3.6Å; F285-L358 HydrophobicContact CZ-CG 3.57Å; F285-K359 HydrophobicContact CE1-CD 3.81Å; F285-K359 VanDerWaalsContact CE1-CE 3.41Å; F285-K359 HydrophobicContact CE1-CG 4.04Å; F285-K359 HydrophobicContact CZ-CD 3.74Å; F285-K359 HydrophobicContact CZ-CG 4.07Å; F285-V362 HydrophobicContact CE2-CG2 3.63Å; F285-V362 HydrophobicContact CZ-CG2 3.83Å; F285-Y380 HydrophobicContact CE2-CD1 4.4Å; F285-L383 HydrophobicContact CB-CD1 4.34Å; F285-L383 HydrophobicContact CD2-CD1 4.47Å; F285-F387 AromaticContact CD1-CE2 3.87Å; F285-F387 HydrophobicContact CD1-CE2 3.87Å; F285-F387 HydrophobicContact CD1-CZ 4.13Å; F285-F387 HydrophobicContact CE1-CE2 4.34Å |
| 286 | S | 69 | Low | 59.7 | Low | 54 Ų | 54 | 77 Ų | 77 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -69.4 | -10.5 | -174.1 | 98.2 | 0 | 0 | 0 | 0 | 118.7 | I282 K283 S288 L289 | I282-S286 PolarHBondContact O-N 2.81Å; K283-S286 PolarHBondContact O-N 3.04Å; K283-S286 PolarHBondContact O-OG 2.94Å; S286-S288 PolarHBondContact O-N 3.23Å; S286-L289 WeakPolarHBondContact O-CA 3.13Å; S286-L289 WeakPolarHBondContact O-CB 3.32Å; S286-L289 PolarHBondContact O-N 3.02Å |
| 287 | P | 52.5 | Low | 56.9 | Low | 80 Ų | 80 | 79.3 Ų | 79.3 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -57.9 | -22.1 | 174.8 | -26.6 | 36.3 | 0 | 0 | 0 | 113.7 | L284 F285 L289 | L284-P287 WeakPolarHBondContact O-CD 3.19Å; F285-P287 WeakPolarHBondContact O-CD 3.44Å; P287-L289 VanDerWaalsContact C-N 3.25Å; P287-L289 PolarHBondContact O-N 3.3Å |
| 288 | S | 45.5 | Very low | 53.9 | Low | 46 Ų | 46 | 85.3 Ų | 85.3 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -81.4 | 8.2 | 173.6 | -62.5 | 0 | 0 | 0 | 0 | 114.8 | S286 | S286-S288 PolarHBondContact O-N 3.23Š|
| 289 | L | 40.9 | Very low | 50.9 | Low | 113 Ų | 113 | 91.2 Ų | 91.2 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -133.6 | 14.9 | -171.4 | -116.4 | 157.7 | 0 | 0 | 0 | 113.2 | S286 P287 L291 | S286-L289 WeakPolarHBondContact O-CA 3.13Å; S286-L289 WeakPolarHBondContact O-CB 3.32Å; S286-L289 PolarHBondContact O-N 3.02Å; P287-L289 VanDerWaalsContact C-N 3.25Å; P287-L289 PolarHBondContact O-N 3.3Å; L289-L291 PolarHBondContact O-N 3.02Å |
| 290 | K | 31.7 | Very low | 48 | Very low | 172 Ų | 172 | 92.2 Ų | 92.2 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | trans | -62.8 | 101.9 | 173.7 | -86 | -177.2 | 178.2 | 171.2 | 0 | 110.4 | ||||
| 291 | L | 28.5 | Very low | 45 | Very low | 153 Ų | 153 | 96.5 Ų | 96.5 | 80% | 0.801 | 58% | 0.583 | S | S | * | * | trans | -53.4 | 147.5 | 175.4 | -79.5 | 139.7 | 0 | 0 | 0 | 112.6 | L289 L293 | L289-L291 PolarHBondContact O-N 3.02Å; L291-L293 PolarHBondContact O-N 3.26Å | ||
| 292 | H | 26.2 | Very low | 42 | Very low | 175 Ų | 175 | 100.4 Ų | 100.4 | 81% | 0.81 | 62% | 0.623 | S | S | * | * | trans | -52.7 | 116.5 | 169.2 | -164.4 | -47.3 | 0 | 0 | 0 | 109.8 | T294 | H292-T294 PolarHBondContact O-N 3.34Å; H292-T294 VanDerWaalsContact O-N 3.13Å | ||
| 293 | L | 27.5 | Very low | 39.1 | Very low | 157 Ų | 157 | 103 Ų | 103 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -61.2 | 114.8 | 174.3 | -79.2 | 154.8 | 0 | 0 | 0 | 109.4 | L291 | L291-L293 PolarHBondContact O-N 3.26Š| ||
| 294 | T | 28.1 | Very low | 36.3 | Very low | 130 Ų | 130 | 102.4 Ų | 102.4 | 80% | 0.798 | 68% | 0.68 | S | S | * | * | trans | -91.3 | 115.6 | 162.1 | 33.5 | 0 | 0 | 0 | 0 | 108.4 | H292 | H292-T294 PolarHBondContact O-N 3.34Å; H292-T294 VanDerWaalsContact O-N 3.13Å | ||
| 295 | P | 37.2 | Very low | 33.7 | Very low | 114 Ų | 114 | 104.8 Ų | 104.8 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | trans | -88 | 121.3 | -174.2 | 32.5 | -31.8 | 0 | 0 | 0 | 110.9 | ||||
| 296 | L | 24 | Very low | 31.3 | Very low | 172 Ų | 172 | 112.4 Ų | 112.4 | 90% | 0.901 | 75% | 0.749 | S | S | * | * | trans | -154.3 | 132.4 | 164.1 | -109.6 | 133.7 | 0 | 0 | 0 | 114.8 | ||||
| 297 | A | 27 | Very low | 29.4 | Very low | 78 Ų | 78 | 115.3 Ų | 115.3 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | trans | 49.7 | 89.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 298 | T | 25.5 | Very low | 28.4 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | 16.4 | 124.4 | 121.7 | 53.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 299 | S | 25.2 | Very low | 27.9 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 65.2 | 106 | 139 | 64.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 300 | G | 25 | Very low | 27.5 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -177.1 | 101.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 301 | G | 22.8 | Very low | 27.6 | Very low | 90 Ų | 90 | 112.4 Ų | 112.4 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | trans | -87.1 | 159.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 302 | G | 23.5 | Very low | 27.9 | Very low | 82 Ų | 82 | 107.7 Ų | 107.7 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | 152.2 | 107.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 303 | G | 22.5 | Very low | 28.3 | Very low | 91 Ų | 91 | 101.8 Ų | 101.8 | 94% | 0.938 | 73% | 0.733 | S | S | * | * | trans | -90.3 | 157.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 304 | G | 23.1 | Very low | 28.7 | Very low | 83 Ų | 83 | 100 Ų | 100 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | trans | 153.7 | 120.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 305 | G | 25.8 | Very low | 29.2 | Very low | 69 Ų | 69 | 96.2 Ų | 96.2 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | trans | 104.1 | 83.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 306 | I | 26.8 | Very low | 29.1 | Very low | 167 Ų | 167 | 93.5 Ų | 93.5 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | trans | -95.6 | 85 | 166.1 | -57.5 | 172.3 | 0 | 0 | 0 | 108.2 | ||||
| 307 | T | 28.6 | Very low | 29.5 | Very low | 114 Ų | 114 | 87 Ų | 87 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | trans | -135.2 | -14.6 | 172.5 | 42.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 308 | D | 31.7 | Very low | 29.9 | Very low | 108 Ų | 108 | 86.1 Ų | 86.1 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | trans | -99.1 | 16.8 | -167.3 | -76.7 | -58.6 | 0 | 0 | 0 | 116.8 | S311 A312 | D308-S311 WeakPolarHBondContact CA-OG 3.34Å; D308-S311 WeakPolarHBondContact CB-OG 3.41Å; D308-S311 PolarHBondContact O-OG 2.94Å; D308-S311 VanDerWaalsContact O-OG 3.08Å; D308-S311 PolarHBondContact OD1-OG 2.91Å; D308-A312 WeakPolarHBondContact O-CB 3.49Å; D308-A312 PolarHBondContact O-N 2.74Å | ||
| 309 | V | 33.8 | Very low | 30.4 | Very low | 113 Ų | 113 | 83 Ų | 83 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.1 | -37.1 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | A313 | V309-A313 WeakPolarHBondContact O-CB 3.45Å; V309-A313 PolarHBondContact O-N 3.5Å |
| 310 | A | 32.7 | Very low | 30.8 | Very low | 77 Ų | 77 | 78.7 Ų | 78.7 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.3 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A313 F314 | A310-A313 PolarHBondContact O-N 2.76Å; A310-F314 WeakPolarHBondContact O-CB 3.39Å; A310-F314 PolarHBondContact O-N 2.91Å |
| 311 | S | 33.8 | Very low | 31 | Very low | 53 Ų | 53 | 79 Ų | 79 | 37% | 0.371 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.6 | -37.7 | 173.1 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | D308 F314 A315 | D308-S311 WeakPolarHBondContact CA-OG 3.34Å; D308-S311 WeakPolarHBondContact CB-OG 3.41Å; D308-S311 PolarHBondContact O-OG 2.94Å; D308-S311 VanDerWaalsContact O-OG 3.08Å; D308-S311 PolarHBondContact OD1-OG 2.91Å; S311-F314 PolarHBondContact O-N 2.81Å; S311-A315 WeakPolarHBondContact O-CA 3.06Å; S311-A315 WeakPolarHBondContact O-CB 3.08Å; S311-A315 PolarHBondContact O-N 3.08Å |
| 312 | A | 35.8 | Very low | 31.4 | Very low | 54 Ų | 54 | 80.5 Ų | 80.5 | 45% | 0.446 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.7 | -35 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D308 A316 | D308-A312 WeakPolarHBondContact O-CB 3.49Å; D308-A312 PolarHBondContact O-N 2.74Å; A312-A316 WeakPolarHBondContact O-CB 3.2Å; A312-A316 PolarHBondContact O-N 3.28Å |
| 313 | A | 35 | Very low | 31.5 | Very low | 51 Ų | 51 | 81 Ų | 81 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.1 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V309 A310 A316 A317 | V309-A313 WeakPolarHBondContact O-CB 3.45Å; V309-A313 PolarHBondContact O-N 3.5Å; A310-A313 PolarHBondContact O-N 2.76Å; A313-A316 PolarHBondContact O-N 3.34Å; A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.99Å |
| 314 | F | 35.4 | Very low | 31.7 | Very low | 120 Ų | 120 | 83 Ų | 83 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.9 | -36.8 | 174.7 | -162.2 | -92.1 | 0 | 0 | 0 | 112.1 | A310 S311 A317 T318 | A310-F314 WeakPolarHBondContact O-CB 3.39Å; A310-F314 PolarHBondContact O-N 2.91Å; S311-F314 PolarHBondContact O-N 2.81Å; F314-A317 PolarHBondContact O-N 3.1Å; F314-T318 HydrophobicContact CD1-CG2 4.21Å; F314-T318 HydrophobicContact CE1-CG2 3.89Å; F314-T318 HydrophobicContact CZ-CG2 4.49Å; F314-T318 WeakPolarHBondContact O-CB 3.31Å; F314-T318 PolarHBondContact O-N 3.12Å; F314-T318 PolarHBondContact O-OG1 3.49Å |
| 315 | A | 37.5 | Very low | 31.8 | Very low | 50 Ų | 50 | 85.3 Ų | 85.3 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.5 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S311 T318 A319 | S311-A315 WeakPolarHBondContact O-CA 3.06Å; S311-A315 WeakPolarHBondContact O-CB 3.08Å; S311-A315 PolarHBondContact O-N 3.08Å; A315-T318 WeakPolarHBondContact CA-OG1 3.21Å; A315-T318 PolarHBondContact O-OG1 3.32Å; A315-A319 WeakPolarHBondContact O-CB 3.36Å; A315-A319 PolarHBondContact O-N 2.96Å |
| 316 | A | 35.4 | Very low | 31.7 | Very low | 57 Ų | 57 | 85.1 Ų | 85.1 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.4 | -38.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A312 A313 A320 | A312-A316 WeakPolarHBondContact O-CB 3.2Å; A312-A316 PolarHBondContact O-N 3.28Å; A313-A316 PolarHBondContact O-N 3.34Å; A316-A320 WeakPolarHBondContact O-CB 3.23Å; A316-A320 PolarHBondContact O-N 3.26Å |
| 317 | A | 33.2 | Very low | 31.6 | Very low | 35 Ų | 35 | 83.5 Ų | 83.5 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.2 | -50.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A313 F314 A320 L321 | A313-A317 WeakPolarHBondContact O-CB 3.35Å; A313-A317 PolarHBondContact O-N 2.99Å; F314-A317 PolarHBondContact O-N 3.1Å; A317-A320 CarbonylContact O-C 3.58Å; A317-A320 PolarHBondContact O-N 3.35Å; A317-L321 WeakPolarHBondContact O-CB 3.28Å; A317-L321 WeakPolarHBondContact O-CD1 3.41Å; A317-L321 WeakPolarHBondContact O-CG 3.27Å; A317-L321 PolarHBondContact O-N 3.46Å |
| 318 | T | 34.7 | Very low | 31.4 | Very low | 59 Ų | 59 | 83 Ų | 83 | 36% | 0.362 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.2 | -38.3 | -179.4 | 43.8 | 0 | 0 | 0 | 0 | 113.7 | F314 A315 A320 L321 T322 | F314-T318 HydrophobicContact CD1-CG2 4.21Å; F314-T318 HydrophobicContact CE1-CG2 3.89Å; F314-T318 HydrophobicContact CZ-CG2 4.49Å; F314-T318 WeakPolarHBondContact O-CB 3.31Å; F314-T318 PolarHBondContact O-N 3.12Å; F314-T318 PolarHBondContact O-OG1 3.49Å; A315-T318 WeakPolarHBondContact CA-OG1 3.21Å; A315-T318 PolarHBondContact O-OG1 3.32Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3Å; T318-L321 WeakPolarHBondContact O-CB 3.49Å; T318-L321 PolarHBondContact O-N 3.49Å; T318-T322 PolarHBondContact O-N 3.17Å; T318-T322 PolarHBondContact O-OG1 2.86Å |
| 319 | A | 35.8 | Very low | 31 | Very low | 60 Ų | 60 | 83.3 Ų | 83.3 | 50% | 0.496 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.8 | -33.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | A315 L321 | A315-A319 WeakPolarHBondContact O-CB 3.36Å; A315-A319 PolarHBondContact O-N 2.96Å; A319-L321 PolarHBondContact O-N 2.88Å |
| 320 | A | 34.8 | Very low | 30.5 | Very low | 36 Ų | 36 | 82.3 Ų | 82.3 | 30% | 0.298 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.7 | 3.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A316 A317 T318 R386 | A316-A320 WeakPolarHBondContact O-CB 3.23Å; A316-A320 PolarHBondContact O-N 3.26Å; A317-A320 CarbonylContact O-C 3.58Å; A317-A320 PolarHBondContact O-N 3.35Å; T318-A320 VanDerWaalsContact C-N 3.31Å; T318-A320 PolarHBondContact O-N 3Å; A320-R386 PolarHBondContact O-NH1 2.93Å; A320-R386 PolarHBondContact O-NH2 3.31Å |
| 321 | L | 29.1 | Very low | 30 | Very low | 89 Ų | 89 | 86.8 Ų | 86.8 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -105.8 | -27.5 | 172.3 | -76.9 | 164.5 | 0 | 0 | 0 | 112.3 | A317 T318 A319 | A317-L321 WeakPolarHBondContact O-CB 3.28Å; A317-L321 WeakPolarHBondContact O-CD1 3.41Å; A317-L321 WeakPolarHBondContact O-CG 3.27Å; A317-L321 PolarHBondContact O-N 3.46Å; T318-L321 WeakPolarHBondContact O-CB 3.49Å; T318-L321 PolarHBondContact O-N 3.49Å; A319-L321 PolarHBondContact O-N 2.88Å |
| 322 | T | 30 | Very low | 29.5 | Very low | 123 Ų | 123 | 90.2 Ų | 90.2 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -87 | -7.6 | -177.2 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | T318 | T318-T322 PolarHBondContact O-N 3.17Å; T318-T322 PolarHBondContact O-OG1 2.86Å |
| 323 | S | 26 | Very low | 28.9 | Very low | 91 Ų | 91 | 92.6 Ų | 92.6 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -108.9 | 35.2 | -169.2 | 80 | 0 | 0 | 0 | 0 | 116.3 | ||
| 324 | V | 27.5 | Very low | 28.3 | Very low | 133 Ų | 133 | 98.6 Ų | 98.6 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | trans | -141.6 | 85 | 169.6 | -168.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 325 | S | 25.2 | Very low | 27.8 | Very low | 133 Ų | 133 | 98.2 Ų | 98.2 | 93% | 0.93 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -131.6 | 8.1 | 161.9 | 83.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 326 | G | 23.9 | Very low | 27.2 | Very low | 65 Ų | 65 | 101.6 Ų | 101.6 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 173 | 78.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 327 | V | 24.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 104.9 Ų | 104.9 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | trans | -147.4 | 89.3 | 140.9 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 328 | A | 24.4 | Very low | 26.2 | Very low | 105 Ų | 105 | 109.2 Ų | 109.2 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | trans | -139.6 | 45.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 329 | S | 23.4 | Very low | 25.7 | Very low | 114 Ų | 114 | 109.8 Ų | 109.8 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -155.7 | 44.5 | -177.4 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 330 | S | 22.5 | Very low | 25.1 | Very low | 91 Ų | 91 | 113.5 Ų | 113.5 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | -163 | 157.1 | 167.9 | 45.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 331 | L | 22.2 | Very low | 24.6 | Very low | 171 Ų | 171 | 117.1 Ų | 117.1 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | 80.2 | 54 | -176.4 | -50.5 | 173 | 0 | 0 | 0 | 116.6 | ||||
| 332 | S | 23.7 | Very low | 24.5 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -115.1 | 47.9 | 161.1 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 333 | S | 23.4 | Very low | 24.3 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -162.5 | 102.8 | 171.5 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 334 | L | 22.7 | Very low | 24.3 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 93% | 0.927 | 82% | 0.82 | S | S | * | * | trans | -173 | 100.7 | 148.3 | -103.4 | 158.1 | 0 | 0 | 0 | 108 | ||||
| 335 | S | 24.8 | Very low | 24.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 141.2 | 179.1 | 40.7 | 0 | 0 | 0 | 0 | 111.6 | P337 | S335-P337 WeakPolarHBondContact O-CD 3.41Š|
| 336 | S | 23.4 | Very low | 24.6 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 124.2 | -175.8 | -44.7 | 0 | 0 | 0 | 0 | 113 | ||
| 337 | P | 24.9 | Very low | 25.3 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129.6 | 159.4 | -0.6 | 18.8 | 0 | 0 | 0 | 109.1 | S335 | S335-P337 WeakPolarHBondContact O-CD 3.41Š|
| 338 | S | 23.6 | Very low | 26.4 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 131.6 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 339 | G | 23.8 | Very low | 28 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 129.7 | 139.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 340 | V | 24.2 | Very low | 30.1 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | 95.9 | 94 | 160.5 | -166.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 341 | S | 23.3 | Very low | 32.8 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 55.2 | 101 | 139.1 | -51.8 | 0 | 0 | 0 | 0 | 120 | D343 | S341-D343 PolarHBondContact O-N 3.39Š| ||
| 342 | N | 26.8 | Very low | 35.7 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -56.1 | 118.4 | 157.2 | -70.4 | -32 | 0 | 0 | 0 | 111.2 | ||||
| 343 | D | 27 | Very low | 38.5 | Very low | 160 Ų | 160 | 119.5 Ų | 119.5 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | -163.4 | 44.1 | 150.7 | -111 | -16.8 | 0 | 0 | 0 | 113.3 | S341 | S341-D343 PolarHBondContact O-N 3.39Š| ||
| 344 | M | 25.9 | Very low | 41.4 | Very low | 176 Ų | 176 | 115.8 Ų | 115.8 | 87% | 0.867 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -158.8 | 71.3 | 165.8 | -161.9 | 65.2 | 66 | 0 | 0 | 113 | ||
| 345 | M | 28.9 | Very low | 44.3 | Very low | 166 Ų | 166 | 107.8 Ų | 107.8 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -165.7 | 61.9 | 159.3 | -102.9 | -76.2 | 155.2 | 0 | 0 | 110.2 | S347 | M345-S347 PolarHBondContact O-N 3.1Š| ||
| 346 | N | 30.2 | Very low | 47.3 | Very low | 175 Ų | 175 | 102.4 Ų | 102.4 | 94% | 0.936 | 59% | 0.592 | S | S | * | * | trans | -70.6 | 65.2 | 162.3 | -84.2 | -22.6 | 0 | 0 | 0 | 109.8 | E348 | N346-E348 PolarHBondContact O-N 3.35Š| ||
| 347 | S | 38.6 | Very low | 50.4 | Low | 84 Ų | 84 | 97.4 Ų | 97.4 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | trans | -64.4 | 127.4 | 161.2 | 53.8 | 0 | 0 | 0 | 0 | 107.8 | M345 K349 | M345-S347 PolarHBondContact O-N 3.1Å; S347-K349 PolarHBondContact O-N 3.47Å | ||
| 348 | E | 45.8 | Very low | 53.3 | Low | 167 Ų | 167 | 91.3 Ų | 91.3 | 78% | 0.78 | 52% | 0.515 | S | S | * | . | trans | -57.4 | 110.9 | -179.7 | -66.2 | 177.4 | 127.1 | 0 | 0 | 109 | N346 P350 | N346-E348 PolarHBondContact O-N 3.35Å; E348-P350 WeakPolarHBondContact O-CD 3.15Å | ||
| 349 | K | 58.6 | Low | 56.2 | Low | 197 Ų | 197 | 85.4 Ų | 85.4 | 86% | 0.857 | 47% | 0.473 | S | S | * | . | trans | -57.9 | 124.4 | -176.2 | -72.2 | -179.3 | 178.7 | 177.1 | 0 | 109.3 | S347 N351 | S347-K349 PolarHBondContact O-N 3.47Å; K349-N351 PolarHBondContact O-N 3.02Å | ||
| 350 | P | 68.6 | Low | 59.3 | Low | 47 Ų | 47 | 85.2 Ų | 85.2 | 31% | 0.305 | 45% | 0.451 | S | S | . | . | trans | -60.2 | 123.2 | -179.1 | 18.3 | -28.1 | 0 | 0 | 0 | 110.8 | E348 F352 F355 L393 W395 | E348-P350 WeakPolarHBondContact O-CD 3.15Å; P350-F352 PolarHBondContact O-N 3.49Å; P350-F355 HydrophobicContact CB-CD2 4.4Å; P350-F355 HydrophobicContact CB-CE2 3.9Å; P350-L393 HydrophobicContact CG-CD1 3.77Å; P350-W395 HydrophobicContact CB-CH2 4.32Å; P350-W395 HydrophobicContact CB-CZ2 4.17Å; P350-W395 HydrophobicContact CG-CZ2 3.99Å | ||
| 351 | N | 78.9 | Confident | 62.4 | Low | 81 Ų | 81 | 78.7 Ų | 78.7 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | trans | -70 | 112 | -174.7 | -179.8 | -34.3 | 0 | 0 | 0 | 111 | K349 A353 L354 F355 | K349-N351 PolarHBondContact O-N 3.02Å; N351-A353 PolarHBondContact OD1-N 3.07Å; N351-A353 VanDerWaalsContact OD1-N 3.17Å; N351-L354 HydrophobicContact CB-CB 4.02Å; N351-L354 PolarHBondContact O-N 3.43Å; N351-L354 PolarHBondContact OD1-N 3.2Å; N351-L354 VanDerWaalsContact OD1-N 3.1Å; N351-F355 WeakPolarHBondContact O-CD2 3.4Å; N351-F355 PolarHBondContact O-N 3.48Å; N351-F355 VanDerWaalsContact O-N 3.1Å | ||
| 352 | F | 83.7 | Confident | 65.5 | Low | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.009 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.5 | -51.3 | -176.6 | 171.4 | -104.9 | 0 | 0 | 0 | 112.7 | P350 L354 F355 V356 W395 L399 L495 R501 P504 | P350-F352 PolarHBondContact O-N 3.49Å; F352-L354 VanDerWaalsContact C-N 3.28Å; F352-L354 PolarHBondContact O-N 2.96Å; F352-F355 PolarHBondContact O-N 3.17Å; F352-V356 HydrophobicContact CD1-CG2 4.3Å; F352-V356 HydrophobicContact CD2-CG2 4.21Å; F352-V356 HydrophobicContact CE1-CG2 3.83Å; F352-V356 HydrophobicContact CE2-CG2 3.74Å; F352-V356 HydrophobicContact CG-CG2 4.47Å; F352-V356 HydrophobicContact CZ-CG2 3.52Å; F352-V356 WeakPolarHBondContact O-CG2 3.44Å; F352-V356 PolarHBondContact O-N 2.93Å; F352-W395 HydrophobicContact CB-CH2 4.41Å; F352-W395 HydrophobicContact CD2-CD2 4.23Å; F352-W395 AromaticContact CD2-CE3 3.7Å; F352-W395 HydrophobicContact CD2-CE3 3.7Å; F352-W395 HydrophobicContact CD2-CH2 4.46Å; F352-W395 AromaticContact CD2-CZ3 3.84Å; F352-W395 HydrophobicContact CD2-CZ3 3.84Å; F352-W395 HydrophobicContact CE2-CE3 4.28Å; F352-L399 HydrophobicContact CE2-CD1 4.03Å; F352-L495 HydrophobicContact CE2-CB 4.47Å; F352-L495 HydrophobicContact CE2-CD2 4.04Å; F352-L495 HydrophobicContact CZ-CB 4.43Å; F352-L495 HydrophobicContact CZ-CD2 3.98Å; F352-R501 WeakPolarHBondContact CD1-O 3.3Å; F352-R501 HydrophobicContact CE1-CB 4.47Å; F352-P504 HydrophobicContact CB-CB 4.26Å; F352-P504 HydrophobicContact CB-CG 4.49Å; F352-P504 HydrophobicContact CD2-CB 3.7Å; F352-P504 HydrophobicContact CE2-CB 4.2Å; F352-P504 HydrophobicContact CG-CB 3.93Å |
| 353 | A | 82.3 | Confident | 68.4 | Low | 5 Ų | 5 | 66.6 Ų | 66.6 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.3 | -38.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V246 N351 V356 R357 | V246-A353 HydrophobicContact CG2-CB 4.35Å; N351-A353 PolarHBondContact OD1-N 3.07Å; N351-A353 VanDerWaalsContact OD1-N 3.17Å; A353-V356 PolarHBondContact O-N 3.36Å; A353-R357 WeakPolarHBondContact O-CG 3.25Å; A353-R357 PolarHBondContact O-N 2.88Å; A353-R357 VanDerWaalsContact O-N 3.12Å |
| 354 | L | 82.7 | Confident | 71.3 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 175 | -170 | 151.1 | 0 | 0 | 0 | 111.4 | K245 L249 L284 N351 F352 R357 L358 | K245-L354 HydrophobicContact CB-CD1 4.31Å; L249-L354 HydrophobicContact CD1-CG 4.11Å; L284-L354 HydrophobicContact CB-CD2 4.49Å; L284-L354 HydrophobicContact CD2-CD1 4.48Å; L284-L354 HydrophobicContact CD2-CD2 4.45Å; N351-L354 HydrophobicContact CB-CB 4.02Å; N351-L354 PolarHBondContact O-N 3.43Å; N351-L354 PolarHBondContact OD1-N 3.2Å; N351-L354 VanDerWaalsContact OD1-N 3.1Å; F352-L354 VanDerWaalsContact C-N 3.28Å; F352-L354 PolarHBondContact O-N 2.96Å; L354-R357 PolarHBondContact O-N 3.12Å; L354-L358 HydrophobicContact CD2-CD2 4.48Å; L354-L358 WeakPolarHBondContact O-CB 3.4Å; L354-L358 PolarHBondContact O-N 3.48Å |
| 355 | F | 85.1 | Confident | 74.2 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.4 | -92.8 | -94 | 0 | 0 | 0 | 112.7 | F285 P350 N351 F352 L358 K359 F387 W395 | F285-F355 HydrophobicContact CD1-CE1 4.16Å; F285-F355 HydrophobicContact CE1-CE1 4.39Å; P350-F355 HydrophobicContact CB-CD2 4.4Å; P350-F355 HydrophobicContact CB-CE2 3.9Å; N351-F355 WeakPolarHBondContact O-CD2 3.4Å; N351-F355 PolarHBondContact O-N 3.48Å; N351-F355 VanDerWaalsContact O-N 3.1Å; F352-F355 PolarHBondContact O-N 3.17Å; F355-L358 PolarHBondContact O-N 2.99Å; F355-K359 WeakPolarHBondContact O-CB 3.44Å; F355-K359 WeakPolarHBondContact O-CG 3.48Å; F355-K359 PolarHBondContact O-N 3.37Å; F355-F387 HydrophobicContact CE1-CE1 4.39Å; F355-F387 HydrophobicContact CE1-CZ 4.18Å; F355-W395 HydrophobicContact CB-CH2 4.16Å; F355-W395 HydrophobicContact CB-CZ3 3.88Å; F355-W395 HydrophobicContact CD2-CH2 4.14Å; F355-W395 HydrophobicContact CG-CH2 4.14Å; F355-W395 HydrophobicContact CG-CZ3 4.18Å |
| 356 | V | 87.9 | Confident | 77 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -51.7 | 173.8 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F352 A353 K359 R360 L399 L499 | F352-V356 HydrophobicContact CD1-CG2 4.3Å; F352-V356 HydrophobicContact CD2-CG2 4.21Å; F352-V356 HydrophobicContact CE1-CG2 3.83Å; F352-V356 HydrophobicContact CE2-CG2 3.74Å; F352-V356 HydrophobicContact CG-CG2 4.47Å; F352-V356 HydrophobicContact CZ-CG2 3.52Å; F352-V356 WeakPolarHBondContact O-CG2 3.44Å; F352-V356 PolarHBondContact O-N 2.93Å; A353-V356 PolarHBondContact O-N 3.36Å; V356-K359 PolarHBondContact O-N 3.09Å; V356-R360 WeakPolarHBondContact O-CG 3.47Å; V356-R360 PolarHBondContact O-N 3.3Å; V356-L399 HydrophobicContact CB-CD1 4.45Å; V356-L399 HydrophobicContact CG2-CD1 3.61Å; V356-L499 HydrophobicContact CG1-CD2 3.92Å |
| 357 | R | 87.2 | Confident | 79.6 | Confident | 14 Ų | 14 | 37 Ų | 37 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 178.9 | -63.7 | -49.8 | -174.9 | 133.7 | 8.3 | 113 | V246 L249 E250 E253 A353 L354 K359 R360 L361 | V246-R357 HydrophobicContact CG1-CG 4Å; L249-R357 HydrophobicContact CB-CB 3.94Å; L249-R357 HydrophobicContact CD1-CB 4.17Å; E250-R357 IonicContact OE2-CZ 3.63Å; E250-R357 IonicContact OE2-NH1 2.77Å; E250-R357 PolarHBondContact OE2-NH1 3.05Å; E250-R357 VanDerWaalsContact OE2-NH1 3.09Å; E250-R357 IonicContact OE2-NH2 3.43Å; E250-R357 PolarHBondContact OE2-NH2 2.86Å; E253-R357 IonicContact OE2-NH1 3.23Å; A353-R357 WeakPolarHBondContact O-CG 3.25Å; A353-R357 PolarHBondContact O-N 2.88Å; A353-R357 VanDerWaalsContact O-N 3.12Å; L354-R357 PolarHBondContact O-N 3.12Å; R357-K359 PolarHBondContact O-N 3.12Å; R357-R360 PolarHBondContact O-N 3.41Å; R357-L361 VanDerWaalsContact O-CB 3.31Å; R357-L361 WeakPolarHBondContact O-CB 3.16Å; R357-L361 PolarHBondContact O-N 2.85Å |
| 358 | L | 86.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -36.8 | 178.4 | -174 | 65.7 | 0 | 0 | 0 | 111.8 | V281 L284 F285 L354 F355 V362 | V281-L358 HydrophobicContact CB-CD1 4.2Å; V281-L358 HydrophobicContact CG1-CD1 3.83Å; V281-L358 HydrophobicContact CG2-CD1 4.21Å; L284-L358 HydrophobicContact CB-CD1 3.84Å; L284-L358 HydrophobicContact CB-CD2 3.79Å; L284-L358 HydrophobicContact CB-CG 4.48Å; L284-L358 HydrophobicContact CD1-CD1 4Å; F285-L358 HydrophobicContact CD1-CD2 3.52Å; F285-L358 HydrophobicContact CD1-CG 4.42Å; F285-L358 HydrophobicContact CD2-CD2 4Å; F285-L358 HydrophobicContact CD2-CG 4.39Å; F285-L358 HydrophobicContact CE1-CD2 3.38Å; F285-L358 HydrophobicContact CE1-CG 3.87Å; F285-L358 HydrophobicContact CE2-CD1 4.41Å; F285-L358 HydrophobicContact CE2-CD2 3.91Å; F285-L358 HydrophobicContact CE2-CG 3.87Å; F285-L358 HydrophobicContact CG-CD2 3.8Å; F285-L358 HydrophobicContact CZ-CD2 3.6Å; F285-L358 HydrophobicContact CZ-CG 3.57Å; L354-L358 HydrophobicContact CD2-CD2 4.48Å; L354-L358 WeakPolarHBondContact O-CB 3.4Å; L354-L358 PolarHBondContact O-N 3.48Å; F355-L358 PolarHBondContact O-N 2.99Å; L358-V362 WeakPolarHBondContact O-CG2 3.43Å; L358-V362 PolarHBondContact O-N 3.03Å |
| 359 | K | 85.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -83.4 | -32.4 | -178 | -72.9 | -86.9 | -159.3 | -144.1 | 0 | 112.9 | F285 F355 V356 R357 L361 V362 I363 L384 L399 V403 | F285-K359 HydrophobicContact CE1-CD 3.81Å; F285-K359 VanDerWaalsContact CE1-CE 3.41Å; F285-K359 HydrophobicContact CE1-CG 4.04Å; F285-K359 HydrophobicContact CZ-CD 3.74Å; F285-K359 HydrophobicContact CZ-CG 4.07Å; F355-K359 WeakPolarHBondContact O-CB 3.44Å; F355-K359 WeakPolarHBondContact O-CG 3.48Å; F355-K359 PolarHBondContact O-N 3.37Å; V356-K359 PolarHBondContact O-N 3.09Å; R357-K359 PolarHBondContact O-N 3.12Å; K359-L361 VanDerWaalsContact C-N 3.35Å; K359-V362 PolarHBondContact O-N 3.39Å; K359-I363 WeakPolarHBondContact O-CG1 3.37Å; K359-I363 PolarHBondContact O-N 3.47Å; K359-L384 HydrophobicContact CD-CD2 3.76Å; K359-L399 HydrophobicContact CB-CD2 3.57Å; K359-L399 HydrophobicContact CD-CD2 4.09Å; K359-L399 HydrophobicContact CG-CD2 3.39Å; K359-V403 HydrophobicContact CB-CG2 3.7Å; K359-V403 HydrophobicContact CD-CG2 4.06Å; K359-V403 HydrophobicContact CG-CG2 4.38Å |
| 360 | R | 88.9 | Confident | 84.9 | Confident | 67 Ų | 67 | 19.5 Ų | 19.5 | 25% | 0.253 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 163.8 | -71.1 | 171.7 | 61.9 | 106.7 | 5.3 | 111.7 | E253 V356 R357 V362 I363 V364 L496 | E253-R360 IonicContact OE1-CZ 3.08Å; E253-R360 VanDerWaalsContact OE1-CZ 3.23Å; E253-R360 IonicContact OE1-NE 3.82Å; E253-R360 PolarHBondContact OE1-NE 3.43Å; E253-R360 IonicContact OE1-NH2 3.55Å; E253-R360 PolarHBondContact OE1-NH2 3.22Å; E253-R360 IonicContact OE2-NE 2.86Å; E253-R360 PolarHBondContact OE2-NE 3.45Å; V356-R360 WeakPolarHBondContact O-CG 3.47Å; V356-R360 PolarHBondContact O-N 3.3Å; R357-R360 PolarHBondContact O-N 3.41Å; R360-V362 PolarHBondContact O-N 2.92Å; R360-I363 WeakPolarHBondContact O-CB 3.48Å; R360-I363 PolarHBondContact O-N 3.33Å; R360-I363 VanDerWaalsContact O-N 3.12Å; R360-V364 PolarHBondContact O-N 3.25Å; R360-L496 HydrophobicContact CG-CD2 3.83Å; R360-L496 PolarHBondContact NH1-O 2.98Å |
| 361 | L | 88.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 174.9 | 177.6 | 61.1 | 0 | 0 | 0 | 111.8 | L249 V252 I256 L277 V281 R357 K359 I363 V364 I365 | L249-L361 HydrophobicContact CD2-CD2 3.79Å; V252-L361 HydrophobicContact CG1-CD1 3.96Å; V252-L361 HydrophobicContact CG1-CD2 4.2Å; I256-L361 HydrophobicContact CD1-CD1 3.98Å; L277-L361 HydrophobicContact CD1-CD2 4.16Å; V281-L361 HydrophobicContact CG2-CD2 3.72Å; V281-L361 HydrophobicContact CG2-CG 4.33Å; R357-L361 VanDerWaalsContact O-CB 3.31Å; R357-L361 WeakPolarHBondContact O-CB 3.16Å; R357-L361 PolarHBondContact O-N 2.85Å; K359-L361 VanDerWaalsContact C-N 3.35Å; L361-I363 PolarHBondContact O-N 3.22Å; L361-V364 PolarHBondContact O-N 2.91Å; L361-I365 HydrophobicContact CD1-CD1 4.04Å; L361-I365 HydrophobicContact CD1-CG1 4.19Å; L361-I365 HydrophobicContact CG-CD1 3.85Å; L361-I365 HydrophobicContact CG-CG1 4.45Å; L361-I365 WeakPolarHBondContact O-CB 3.33Å; L361-I365 VanDerWaalsContact O-CG1 3.27Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 3.15Å |
| 362 | V | 88.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 171 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | V281 F285 L358 K359 R360 V364 I365 V366 Y380 L384 | V281-V362 HydrophobicContact CG1-CG2 3.92Å; F285-V362 HydrophobicContact CE2-CG2 3.63Å; F285-V362 HydrophobicContact CZ-CG2 3.83Å; L358-V362 WeakPolarHBondContact O-CG2 3.43Å; L358-V362 PolarHBondContact O-N 3.03Å; K359-V362 PolarHBondContact O-N 3.39Å; R360-V362 PolarHBondContact O-N 2.92Å; V362-V364 VanDerWaalsContact C-N 3.33Å; V362-V364 PolarHBondContact O-N 3.09Å; V362-I365 PolarHBondContact O-N 3.27Å; V362-V366 HydrophobicContact CG1-CG2 3.92Å; V362-V366 VanDerWaalsContact O-CB 3.28Å; V362-V366 WeakPolarHBondContact O-CB 3.09Å; V362-V366 VanDerWaalsContact O-CG2 3.23Å; V362-V366 WeakPolarHBondContact O-CG2 3.45Å; V362-V366 PolarHBondContact O-N 3.43Å; V362-Y380 HydrophobicContact CG1-CG 4.48Å; V362-Y380 HydrophobicContact CG2-CD1 4.46Å; V362-Y380 HydrophobicContact CG2-CG 4.28Å; V362-L384 HydrophobicContact CG1-CD1 4.09Å |
| 363 | I | 87.8 | Confident | 85.7 | Confident | 21 Ų | 21 | 21.7 Ų | 21.7 | 11% | 0.108 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 174.7 | -64.7 | 164.5 | 0 | 0 | 0 | 110.4 | K359 R360 L361 N367 V403 K406 L496 | K359-I363 WeakPolarHBondContact O-CG1 3.37Å; K359-I363 PolarHBondContact O-N 3.47Å; R360-I363 WeakPolarHBondContact O-CB 3.48Å; R360-I363 PolarHBondContact O-N 3.33Å; R360-I363 VanDerWaalsContact O-N 3.12Å; L361-I363 PolarHBondContact O-N 3.22Å; I363-N367 WeakPolarHBondContact CG2-ND2 3.4Å; I363-N367 WeakPolarHBondContact O-CB 3.47Å; I363-N367 PolarHBondContact O-N 3.22Å; I363-N367 PolarHBondContact O-ND2 3.23Å; I363-N367 PolarHBondContact O-OD1 3.25Å; I363-V403 HydrophobicContact CD1-CB 4.37Å; I363-V403 HydrophobicContact CD1-CG1 4.31Å; I363-V403 HydrophobicContact CD1-CG2 3.97Å; I363-V403 HydrophobicContact CG1-CB 4.43Å; I363-V403 HydrophobicContact CG1-CG1 3.84Å; I363-V403 HydrophobicContact CG1-CG2 4.35Å; I363-K406 HydrophobicContact CD1-CB 3.94Å; I363-K406 HydrophobicContact CD1-CG 4.2Å; I363-K406 HydrophobicContact CG1-CB 4.36Å; I363-L496 HydrophobicContact CD1-CD1 3.72Å; I363-L496 HydrophobicContact CD1-CD2 4.16Å |
| 364 | V | 87.4 | Confident | 85.8 | Confident | 13 Ų | 13 | 22.8 Ų | 22.8 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 178.6 | 175 | 0 | 0 | 0 | 0 | 111.9 | E253 I256 F257 R360 L361 V362 N367 H368 | E253-V364 HydrophobicContact CG-CG2 4.19Å; I256-V364 HydrophobicContact CB-CG1 4.39Å; I256-V364 HydrophobicContact CG2-CG1 3.67Å; F257-V364 HydrophobicContact CB-CG1 4.07Å; F257-V364 HydrophobicContact CD2-CG1 4.45Å; F257-V364 HydrophobicContact CD2-CG2 4.35Å; R360-V364 PolarHBondContact O-N 3.25Å; L361-V364 PolarHBondContact O-N 2.91Å; V362-V364 VanDerWaalsContact C-N 3.33Å; V362-V364 PolarHBondContact O-N 3.09Å; V364-N367 PolarHBondContact O-N 3.48Å; V364-H368 PolarHBondContact O-N 3.45Å; V364-H368 VanDerWaalsContact O-N 3.07Å; V364-H368 PolarHBondContact O-ND1 2.66Å; V364-H368 VanDerWaalsContact O-ND1 3.13Å |
| 365 | I | 87.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -53 | 178.5 | -69.5 | 166.2 | 0 | 0 | 0 | 110.4 | L277 V281 L361 V362 N367 Y369 L373 Y380 | L277-I365 HydrophobicContact CD2-CD1 3.82Å; L277-I365 HydrophobicContact CD2-CG1 4.1Å; L277-I365 HydrophobicContact CG-CD1 4.28Å; V281-I365 HydrophobicContact CG2-CD1 4.08Å; L361-I365 HydrophobicContact CD1-CD1 4.04Å; L361-I365 HydrophobicContact CD1-CG1 4.19Å; L361-I365 HydrophobicContact CG-CD1 3.85Å; L361-I365 HydrophobicContact CG-CG1 4.45Å; L361-I365 WeakPolarHBondContact O-CB 3.33Å; L361-I365 VanDerWaalsContact O-CG1 3.27Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 3.15Å; V362-I365 PolarHBondContact O-N 3.27Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 2.91Å; I365-Y369 WeakPolarHBondContact O-CA 3.48Å; I365-Y369 WeakPolarHBondContact O-CB 3.21Å; I365-Y369 PolarHBondContact O-N 3.43Å; I365-L373 HydrophobicContact CG2-CD1 3.91Å; I365-Y380 HydrophobicContact CG2-CE2 4.12Å |
| 366 | V | 86.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | -176.5 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | V362 F370 I407 L413 | V362-V366 HydrophobicContact CG1-CG2 3.92Å; V362-V366 VanDerWaalsContact O-CB 3.28Å; V362-V366 WeakPolarHBondContact O-CB 3.09Å; V362-V366 VanDerWaalsContact O-CG2 3.23Å; V362-V366 WeakPolarHBondContact O-CG2 3.45Å; V362-V366 PolarHBondContact O-N 3.43Å; V366-F370 HydrophobicContact CG1-CD2 4.48Å; V366-F370 WeakPolarHBondContact O-CB 3.18Å; V366-I407 HydrophobicContact CG1-CG1 4.42Å; V366-L413 HydrophobicContact CG1-CD1 3.66Å; V366-L413 HydrophobicContact CG1-CD2 3.72Å; V366-L413 HydrophobicContact CG1-CG 4.21Å; V366-L413 WeakPolarHBondContact O-CD1 3.37Å |
| 367 | N | 85.4 | Confident | 85.8 | Confident | 40 Ų | 40 | 25.7 Ų | 25.7 | 21% | 0.214 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.8 | -39.9 | 179.1 | -66.9 | -0.2 | 0 | 0 | 0 | 113.7 | I363 V364 I365 Q410 L413 | I363-N367 WeakPolarHBondContact CG2-ND2 3.4Å; I363-N367 WeakPolarHBondContact O-CB 3.47Å; I363-N367 PolarHBondContact O-N 3.22Å; I363-N367 PolarHBondContact O-ND2 3.23Å; I363-N367 PolarHBondContact O-OD1 3.25Å; V364-N367 PolarHBondContact O-N 3.48Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 2.91Å; N367-Q410 VanDerWaalsContact CG-OE1 3.24Å; N367-Q410 PolarHBondContact ND2-NE2 2.72Å; N367-Q410 PolarHBondContact ND2-OE1 3.28Å; N367-Q410 PolarHBondContact OD1-OE1 3.29Å; N367-L413 VanDerWaalsContact OD1-CD2 3.31Å; N367-L413 WeakPolarHBondContact OD1-CD2 3.45Å |
| 368 | H | 83.3 | Confident | 85.8 | Confident | 75 Ų | 75 | 27.3 Ų | 27.3 | 35% | 0.347 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -105.5 | -22.3 | -170.1 | -62 | 85.7 | 0 | 0 | 0 | 114.3 | F257 V364 | F257-H368 AromaticContact CD2-CE1 3.71Å; F257-H368 AromaticContact CE2-CE1 3.8Å; V364-H368 PolarHBondContact O-N 3.45Å; V364-H368 VanDerWaalsContact O-N 3.07Å; V364-H368 PolarHBondContact O-ND1 2.66Å; V364-H368 VanDerWaalsContact O-ND1 3.13Å |
| 369 | Y | 86.9 | Confident | 85.8 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -124.1 | 11 | -169.2 | -59 | -86.6 | 0 | 0 | 0 | 113.9 | I256 P260 F263 C264 L273 I365 H371 L372 L373 | I256-Y369 HydrophobicContact CG2-CD2 3.94Å; I256-Y369 HydrophobicContact CG2-CE2 3.16Å; I256-Y369 PolarHBondContact O-OH 3.44Å; P260-Y369 WeakPolarHBondContact CA-OH 3.02Å; F263-Y369 HydrophobicContact CB-CE1 3.48Å; F263-Y369 VanDerWaalsContact CB-CE1 3.48Å; F263-Y369 HydrophobicContact CG-CE1 4.43Å; C264-Y369 VanDerWaalsContact SG-CE1 3.53Å; L273-Y369 HydrophobicContact CD1-CD1 3.38Å; L273-Y369 HydrophobicContact CD1-CE1 3.54Å; L273-Y369 HydrophobicContact CD1-CG 4.07Å; I365-Y369 WeakPolarHBondContact O-CA 3.48Å; I365-Y369 WeakPolarHBondContact O-CB 3.21Å; I365-Y369 PolarHBondContact O-N 3.43Å; Y369-H371 VanDerWaalsContact C-N 3.32Å; Y369-H371 PolarHBondContact O-N 2.72Å; Y369-L372 HydrophobicContact CD1-CD2 4.47Å; Y369-L372 PolarHBondContact O-N 3.18Å; Y369-L373 PolarHBondContact O-N 2.79Å |
| 370 | F | 84.8 | Confident | 86 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -52 | -179 | -172.2 | -95.4 | 0 | 0 | 0 | 113.5 | V366 L372 L373 N374 C377 L413 H416 I417 S420 Y421 | V366-F370 HydrophobicContact CG1-CD2 4.48Å; V366-F370 WeakPolarHBondContact O-CB 3.18Å; F370-L372 VanDerWaalsContact C-N 3.27Å; F370-L372 PolarHBondContact O-N 2.89Å; F370-L373 CarbonylContact O-C 3.58Å; F370-L373 PolarHBondContact O-N 3.33Å; F370-N374 PolarHBondContact O-N 2.9Å; F370-C377 HydrophobicContact CD2-CB 4.01Å; F370-C377 HydrophobicContact CE2-CB 4.03Å; F370-L413 HydrophobicContact CD2-CD1 3.89Å; F370-L413 HydrophobicContact CE2-CD1 4.46Å; F370-L413 HydrophobicContact CG-CD1 4.27Å; F370-H416 HydrophobicContact CD1-CB 3.64Å; F370-H416 HydrophobicContact CE1-CB 3.56Å; F370-H416 WeakPolarHBondContact CE1-O 3.19Å; F370-H416 HydrophobicContact CG-CB 4.4Å; F370-H416 HydrophobicContact CZ-CB 4.28Å; F370-I417 HydrophobicContact CE2-CG1 3.72Å; F370-I417 HydrophobicContact CZ-CG1 4.07Å; F370-S420 WeakPolarHBondContact CE1-OG 3.44Å; F370-Y421 AromaticContact CE2-CE2 3.85Å; F370-Y421 HydrophobicContact CE2-CE2 3.85Å; F370-Y421 WeakPolarHBondContact CE2-OH 3.5Å; F370-Y421 AromaticContact CZ-CE2 3.64Å; F370-Y421 HydrophobicContact CZ-CE2 3.64Å; F370-Y421 AromaticContact CZ-CZ 3.82Å |
| 371 | H | 81.3 | Confident | 85.9 | Confident | 132 Ų | 132 | 25.8 Ų | 25.8 | 61% | 0.611 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.8 | -177.5 | -65.9 | -63.1 | 0 | 0 | 0 | 113.6 | Y369 H416 | Y369-H371 VanDerWaalsContact C-N 3.32Å; Y369-H371 PolarHBondContact O-N 2.72Å; H371-H416 AromaticContact CE1-CD2 3.7Å; H371-H416 AromaticContact CE1-CE1 3.43Å; H371-H416 PolarHBondContact CE1-CE1 3.29Å; H371-H416 VanDerWaalsContact CE1-CE1 3.43Å; H371-H416 AromaticContact CE1-CG 3.64Å; H371-H416 AromaticContact CE1-ND1 3.47Å; H371-H416 PolarHBondContact CE1-ND1 3.39Å; H371-H416 AromaticContact CE1-NE2 3.54Å; H371-H416 AromaticContact NE2-CD2 3.33Å; H371-H416 PolarHBondContact NE2-CD2 3.42Å; H371-H416 VanDerWaalsContact NE2-CD2 3.33Å; H371-H416 AromaticContact NE2-CE1 3.39Å; H371-H416 PolarHBondContact NE2-CE1 2.83Å; H371-H416 AromaticContact NE2-CG 3.78Å; H371-H416 AromaticContact NE2-ND1 3.8Å; H371-H416 AromaticContact NE2-NE2 3.03Å; H371-H416 PolarHBondContact NE2-NE2 3.25Å |
| 372 | L | 81.8 | Confident | 85.9 | Confident | 42 Ų | 42 | 26.7 Ų | 26.7 | 22% | 0.22 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -32.3 | 179.5 | -176 | 69.1 | 0 | 0 | 0 | 112.3 | I203 A270 L273 Y369 F370 | I203-L372 HydrophobicContact CD1-CD1 3.77Å; A270-L372 HydrophobicContact CB-CD1 4.02Å; A270-L372 HydrophobicContact CB-CD2 3.72Å; A270-L372 HydrophobicContact CB-CG 4.48Å; L273-L372 HydrophobicContact CD1-CD2 3.97Å; Y369-L372 HydrophobicContact CD1-CD2 4.47Å; Y369-L372 PolarHBondContact O-N 3.18Å; F370-L372 VanDerWaalsContact C-N 3.27Å; F370-L372 PolarHBondContact O-N 2.89Å |
| 373 | L | 84.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -120.1 | 38.3 | -167 | -60.2 | 172.2 | 0 | 0 | 0 | 111.9 | L273 K274 I365 Y369 F370 T375 E376 C377 | L273-L373 HydrophobicContact CB-CD1 4.2Å; L273-L373 HydrophobicContact CB-CD2 4.35Å; K274-L373 HydrophobicContact CB-CD2 3.95Å; K274-L373 HydrophobicContact CG-CD2 4.32Å; I365-L373 HydrophobicContact CG2-CD1 3.91Å; Y369-L373 PolarHBondContact O-N 2.79Å; F370-L373 CarbonylContact O-C 3.58Å; F370-L373 PolarHBondContact O-N 3.33Å; L373-T375 VanDerWaalsContact C-N 3.33Å; L373-T375 PolarHBondContact O-N 3.45Å; L373-E376 HydrophobicContact CB-CB 4.38Å; L373-E376 PolarHBondContact O-N 3.37Å; L373-E376 VanDerWaalsContact O-N 3.09Å; L373-C377 PolarHBondContact O-N 3.47Å; L373-C377 PolarHBondContact O-SG 3.2Å | ||
| 374 | N | 83.1 | Confident | 85.7 | Confident | 27 Ų | 27 | 27.4 Ų | 27.4 | 14% | 0.144 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.6 | -37.3 | -169.6 | -168.5 | 55.7 | 0 | 0 | 0 | 114.1 | F370 E378 S420 Y421 | F370-N374 PolarHBondContact O-N 2.9Å; N374-E378 PolarHBondContact O-N 2.98Å; N374-S420 WeakPolarHBondContact OD1-CB 3.39Å; N374-S420 PolarHBondContact OD1-OG 2.98Å; N374-Y421 WeakPolarHBondContact O-CE1 3.31Å; N374-Y421 PolarHBondContact O-OH 2.88Å; N374-Y421 PolarHBondContact OD1-OH 2.93Å |
| 375 | T | 83.3 | Confident | 85.8 | Confident | 66 Ų | 66 | 27.6 Ų | 27.6 | 41% | 0.405 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -71.1 | -37.4 | 176.2 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | L373 E378 I379 | L373-T375 VanDerWaalsContact C-N 3.33Å; L373-T375 PolarHBondContact O-N 3.45Å; T375-E378 PolarHBondContact O-N 3.47Å; T375-I379 WeakPolarHBondContact O-CG1 3.48Å; T375-I379 PolarHBondContact O-N 3.4Å |
| 376 | E | 86 | Confident | 85.7 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.8 | -37.5 | -178.8 | -49.7 | -54.3 | 124.3 | 0 | 0 | 110.6 | C278 I282 L373 E378 I379 Y380 | C278-E376 HydrophobicContact CB-CB 4.11Å; C278-E376 HydrophobicContact CB-CG 3.7Å; I282-E376 WeakPolarHBondContact CD1-OE2 3.32Å; L373-E376 HydrophobicContact CB-CB 4.38Å; L373-E376 PolarHBondContact O-N 3.37Å; L373-E376 VanDerWaalsContact O-N 3.09Å; E376-E378 VanDerWaalsContact C-N 3.34Å; E376-E378 PolarHBondContact O-N 2.8Å; E376-I379 PolarHBondContact O-N 3.06Å; E376-Y380 HydrophobicContact CB-CE2 3.96Å; E376-Y380 WeakPolarHBondContact O-CD2 3.29Å; E376-Y380 PolarHBondContact O-N 3.23Å |
| 377 | C | 87.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -37.7 | 173.7 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | F370 L373 I379 Y380 L381 Y421 | F370-C377 HydrophobicContact CD2-CB 4.01Å; F370-C377 HydrophobicContact CE2-CB 4.03Å; L373-C377 PolarHBondContact O-N 3.47Å; L373-C377 PolarHBondContact O-SG 3.2Å; C377-I379 PolarHBondContact O-N 3.28Å; C377-Y380 PolarHBondContact O-N 3.37Å; C377-L381 WeakPolarHBondContact O-CB 3.41Å; C377-L381 WeakPolarHBondContact O-CG 3.29Å; C377-L381 PolarHBondContact O-N 3.18Å; C377-Y421 WeakPolarHBondContact CB-OH 3.41Å |
| 378 | E | 87.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 32.8 Ų | 32.8 | 22% | 0.224 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 172.1 | 161.2 | 162.5 | -153.8 | 0 | 0 | 111.2 | N374 T375 E376 L381 S382 Y421 T428 I430 | N374-E378 PolarHBondContact O-N 2.98Å; T375-E378 PolarHBondContact O-N 3.47Å; E376-E378 VanDerWaalsContact C-N 3.34Å; E376-E378 PolarHBondContact O-N 2.8Å; E378-L381 PolarHBondContact O-N 2.9Å; E378-S382 VanDerWaalsContact O-CB 3.29Å; E378-S382 WeakPolarHBondContact O-CB 3.3Å; E378-S382 PolarHBondContact O-N 3.5Å; E378-S382 PolarHBondContact O-OG 3.16Å; E378-Y421 HydrophobicContact CB-CD1 4.18Å; E378-Y421 HydrophobicContact CB-CE1 3.57Å; E378-Y421 HydrophobicContact CG-CE1 4.46Å; E378-Y421 PolarHBondContact N-OH 3.32Å; E378-Y421 VanDerWaalsContact N-OH 3.15Å; E378-T428 WeakPolarHBondContact OE1-CG2 3.44Å; E378-T428 PolarHBondContact OE1-OG1 3.01Å; E378-I430 HydrophobicContact CB-CD1 3.77Å; E378-I430 HydrophobicContact CG-CD1 3.69Å |
| 379 | I | 86.2 | Confident | 85.5 | Confident | 33 Ų | 33 | 32.8 Ų | 32.8 | 17% | 0.169 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.3 | -64.1 | 165.9 | 0 | 0 | 0 | 110.8 | I282 T375 E376 C377 L383 | I282-I379 HydrophobicContact CD1-CD1 4.13Å; I282-I379 HydrophobicContact CD1-CG2 3.99Å; I282-I379 HydrophobicContact CG1-CG2 4.28Å; T375-I379 WeakPolarHBondContact O-CG1 3.48Å; T375-I379 PolarHBondContact O-N 3.4Å; E376-I379 PolarHBondContact O-N 3.06Å; C377-I379 PolarHBondContact O-N 3.28Å; I379-L383 HydrophobicContact CG2-CD1 3.84Å; I379-L383 HydrophobicContact CG2-CG 4.38Å; I379-L383 VanDerWaalsContact O-CB 3.3Å; I379-L383 WeakPolarHBondContact O-CB 3.22Å; I379-L383 VanDerWaalsContact O-CG 3.22Å; I379-L383 WeakPolarHBondContact O-CG 3.29Å; I379-L383 PolarHBondContact O-N 3.28Å |
| 380 | Y | 88.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 178.7 | -59.6 | -35.4 | 0 | 0 | 0 | 113.2 | C278 V281 I282 F285 V362 I365 E376 C377 L384 | C278-Y380 WeakPolarHBondContact CA-OH 3.49Å; C278-Y380 WeakPolarHBondContact CB-OH 3.22Å; C278-Y380 PolarHBondContact O-OH 2.91Å; C278-Y380 PolarHBondContact SG-OH 2.91Å; C278-Y380 VanDerWaalsContact SG-OH 3.33Å; V281-Y380 HydrophobicContact CB-CE1 4Å; V281-Y380 HydrophobicContact CG1-CD1 4.06Å; V281-Y380 HydrophobicContact CG1-CE1 3.4Å; I282-Y380 HydrophobicContact CD1-CE1 4.42Å; I282-Y380 HydrophobicContact CG1-CD1 4.5Å; I282-Y380 HydrophobicContact CG1-CE1 3.65Å; F285-Y380 HydrophobicContact CE2-CD1 4.4Å; V362-Y380 HydrophobicContact CG1-CG 4.48Å; V362-Y380 HydrophobicContact CG2-CD1 4.46Å; V362-Y380 HydrophobicContact CG2-CG 4.28Å; I365-Y380 HydrophobicContact CG2-CE2 4.12Å; E376-Y380 HydrophobicContact CB-CE2 3.96Å; E376-Y380 WeakPolarHBondContact O-CD2 3.29Å; E376-Y380 PolarHBondContact O-N 3.23Å; C377-Y380 PolarHBondContact O-N 3.37Å; Y380-L384 WeakPolarHBondContact O-CB 3.48Å; Y380-L384 WeakPolarHBondContact O-CD1 3.48Å; Y380-L384 WeakPolarHBondContact O-CG 3.07Å; Y380-L384 PolarHBondContact O-N 3.47Å |
| 381 | L | 88.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.2 | -45.6 | 178.3 | -68.8 | 167.7 | 0 | 0 | 0 | 111 | C377 E378 L383 L384 I385 I407 I417 Y421 I430 | C377-L381 WeakPolarHBondContact O-CB 3.41Å; C377-L381 WeakPolarHBondContact O-CG 3.29Å; C377-L381 PolarHBondContact O-N 3.18Å; E378-L381 PolarHBondContact O-N 2.9Å; L381-L383 VanDerWaalsContact C-N 3.34Å; L381-L383 PolarHBondContact O-N 3.38Å; L381-L384 WeakPolarHBondContact O-CB 3.36Å; L381-L384 PolarHBondContact O-N 2.86Å; L381-L384 VanDerWaalsContact O-N 3.14Å; L381-I385 WeakPolarHBondContact O-CG1 3.45Å; L381-I385 PolarHBondContact O-N 3.41Å; L381-I407 HydrophobicContact CD2-CD1 3.89Å; L381-I407 HydrophobicContact CD2-CG2 4.28Å; L381-I417 HydrophobicContact CD1-CD1 3.81Å; L381-I417 HydrophobicContact CD1-CG1 3.84Å; L381-I417 HydrophobicContact CD1-CG2 4.25Å; L381-I417 HydrophobicContact CD2-CD1 4.22Å; L381-Y421 HydrophobicContact CD1-CE2 4.03Å; L381-I430 HydrophobicContact CB-CG2 3.65Å; L381-I430 HydrophobicContact CD1-CG2 4.17Å; L381-I430 HydrophobicContact CG-CG2 4.49Å |
| 382 | S | 88.2 | Confident | 84.5 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.3 | -58 | 0 | 0 | 0 | 0 | 112 | E378 I385 R386 | E378-S382 VanDerWaalsContact O-CB 3.29Å; E378-S382 WeakPolarHBondContact O-CB 3.3Å; E378-S382 PolarHBondContact O-N 3.5Å; E378-S382 PolarHBondContact O-OG 3.16Å; S382-I385 PolarHBondContact O-N 2.81Å; S382-R386 WeakPolarHBondContact O-CG 3.42Å; S382-R386 PolarHBondContact O-N 2.92Å |
| 383 | L | 85.2 | Confident | 84.5 | Confident | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 172.5 | -75.9 | 171.4 | 0 | 0 | 0 | 111.7 | F285 I379 L381 R386 F387 | F285-L383 HydrophobicContact CB-CD1 4.34Å; F285-L383 HydrophobicContact CD2-CD1 4.47Å; I379-L383 HydrophobicContact CG2-CD1 3.84Å; I379-L383 HydrophobicContact CG2-CG 4.38Å; I379-L383 VanDerWaalsContact O-CB 3.3Å; I379-L383 WeakPolarHBondContact O-CB 3.22Å; I379-L383 VanDerWaalsContact O-CG 3.22Å; I379-L383 WeakPolarHBondContact O-CG 3.29Å; I379-L383 PolarHBondContact O-N 3.28Å; L381-L383 VanDerWaalsContact C-N 3.34Å; L381-L383 PolarHBondContact O-N 3.38Å; L383-R386 PolarHBondContact O-N 3.44Å; L383-F387 HydrophobicContact CB-CE2 4.49Å; L383-F387 WeakPolarHBondContact O-CD2 3.48Å; L383-F387 PolarHBondContact O-N 3.5Å |
| 384 | L | 87.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 175.7 | -83 | 161 | 0 | 0 | 0 | 112.3 | K359 V362 Y380 L381 F387 A400 V403 L404 I407 | K359-L384 HydrophobicContact CD-CD2 3.76Å; V362-L384 HydrophobicContact CG1-CD1 4.09Å; Y380-L384 WeakPolarHBondContact O-CB 3.48Å; Y380-L384 WeakPolarHBondContact O-CD1 3.48Å; Y380-L384 WeakPolarHBondContact O-CG 3.07Å; Y380-L384 PolarHBondContact O-N 3.47Å; L381-L384 WeakPolarHBondContact O-CB 3.36Å; L381-L384 PolarHBondContact O-N 2.86Å; L381-L384 VanDerWaalsContact O-N 3.14Å; L384-F387 WeakPolarHBondContact O-CB 3.18Å; L384-F387 PolarHBondContact O-N 3.42Å; L384-F387 VanDerWaalsContact O-N 3.16Å; L384-A400 HydrophobicContact CD2-CB 4.13Å; L384-V403 HydrophobicContact CD1-CG1 3.68Å; L384-V403 HydrophobicContact CD2-CB 3.93Å; L384-V403 HydrophobicContact CD2-CG1 3.67Å; L384-V403 HydrophobicContact CG-CG1 4.36Å; L384-L404 HydrophobicContact CB-CD1 4.36Å; L384-L404 HydrophobicContact CB-CD2 3.83Å; L384-L404 HydrophobicContact CB-CG 4.16Å; L384-L404 HydrophobicContact CD1-CD2 4.2Å; L384-L404 HydrophobicContact CG-CD2 4.49Å; L384-I407 HydrophobicContact CD1-CD1 3.95Å |
| 385 | I | 88.6 | Confident | 84.4 | Confident | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 175.4 | -66.9 | 164.6 | 0 | 0 | 0 | 110.2 | L381 S382 F387 L388 I430 E433 L434 A437 | L381-I385 WeakPolarHBondContact O-CG1 3.45Å; L381-I385 PolarHBondContact O-N 3.41Å; S382-I385 PolarHBondContact O-N 2.81Å; I385-F387 PolarHBondContact O-N 3.28Å; I385-L388 WeakPolarHBondContact O-CB 3.07Å; I385-L388 WeakPolarHBondContact O-CG 3.43Å; I385-L388 PolarHBondContact O-N 2.91Å; I385-I430 HydrophobicContact CD1-CG2 3.9Å; I385-E433 HydrophobicContact CD1-CB 4.32Å; I385-L434 HydrophobicContact CD1-CB 3.97Å; I385-L434 HydrophobicContact CD1-CD1 4.46Å; I385-L434 HydrophobicContact CG1-CB 4.3Å; I385-L434 HydrophobicContact CG1-CD1 3.93Å; I385-A437 HydrophobicContact CG2-CB 3.72Å |
| 386 | R | 85.6 | Confident | 84.5 | Confident | 131 Ų | 131 | 42.8 Ų | 42.8 | 49% | 0.494 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.9 | -18.3 | 176.8 | -68.2 | 177.3 | 79.6 | 143.1 | 6.4 | 114 | A320 S382 L383 L388 | A320-R386 PolarHBondContact O-NH1 2.93Å; A320-R386 PolarHBondContact O-NH2 3.31Å; S382-R386 WeakPolarHBondContact O-CG 3.42Å; S382-R386 PolarHBondContact O-N 2.92Å; L383-R386 PolarHBondContact O-N 3.44Å; R386-L388 PolarHBondContact O-N 3.42Å |
| 387 | F | 85.8 | Confident | 84.6 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 4% | 0.044 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -10.1 | 171.6 | -82.9 | -68.2 | 0 | 0 | 0 | 113.6 | F285 F355 L383 L384 I385 D389 K392 R397 A400 | F285-F387 AromaticContact CD1-CE2 3.87Å; F285-F387 HydrophobicContact CD1-CE2 3.87Å; F285-F387 HydrophobicContact CD1-CZ 4.13Å; F285-F387 HydrophobicContact CE1-CE2 4.34Å; F355-F387 HydrophobicContact CE1-CE1 4.39Å; F355-F387 HydrophobicContact CE1-CZ 4.18Å; L383-F387 HydrophobicContact CB-CE2 4.49Å; L383-F387 WeakPolarHBondContact O-CD2 3.48Å; L383-F387 PolarHBondContact O-N 3.5Å; L384-F387 WeakPolarHBondContact O-CB 3.18Å; L384-F387 PolarHBondContact O-N 3.42Å; L384-F387 VanDerWaalsContact O-N 3.16Å; I385-F387 PolarHBondContact O-N 3.28Å; F387-D389 VanDerWaalsContact C-N 3.31Å; F387-K392 HydrophobicContact CD1-CD 4.35Å; F387-K392 HydrophobicContact CD1-CG 4.32Å; F387-R397 WeakPolarHBondContact O-CG 3.06Å; F387-A400 HydrophobicContact CB-CB 3.72Å |
| 388 | L | 86.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.1 | 174.8 | -55.9 | -176.1 | 0 | 0 | 0 | 113.7 | I385 R386 A400 L401 L404 A437 F438 Y441 | I385-L388 WeakPolarHBondContact O-CB 3.07Å; I385-L388 WeakPolarHBondContact O-CG 3.43Å; I385-L388 PolarHBondContact O-N 2.91Å; R386-L388 PolarHBondContact O-N 3.42Å; L388-A400 HydrophobicContact CD2-CB 4.17Å; L388-L401 HydrophobicContact CD1-CD2 4.21Å; L388-L401 HydrophobicContact CD2-CD1 4.49Å; L388-L401 HydrophobicContact CD2-CD2 3.58Å; L388-L401 HydrophobicContact CD2-CG 3.57Å; L388-L404 HydrophobicContact CD1-CD1 3.91Å; L388-L404 HydrophobicContact CD2-CD1 4.28Å; L388-L404 HydrophobicContact CG-CD1 4.28Å; L388-A437 HydrophobicContact CD1-CB 4.08Å; L388-F438 HydrophobicContact CD1-CD1 4.16Å; L388-F438 HydrophobicContact CD1-CE1 4.33Å; L388-Y441 HydrophobicContact CB-CD2 4.49Å; L388-Y441 WeakPolarHBondContact O-CD2 3.26Å |
| 389 | D | 80.5 | Confident | 84.5 | Confident | 76 Ų | 76 | 41 Ų | 41 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -59 | 148.1 | -177.2 | -179.7 | 32.8 | 0 | 0 | 0 | 113.6 | F387 N391 K392 R397 | F387-D389 VanDerWaalsContact C-N 3.31Å; D389-N391 PolarHBondContact O-N 3.13Å; D389-N391 WeakPolarHBondContact OD2-CB 3.4Å; D389-N391 PolarHBondContact OD2-ND2 2.76Å; D389-K392 PolarHBondContact O-N 3.35Å; D389-K392 VanDerWaalsContact O-N 3.07Å; D389-R397 PolarHBondContact O-NE 3.43Å |
| 390 | V | 74.3 | Confident | 84.7 | Confident | 71 Ų | 71 | 39.5 Ų | 39.5 | 43% | 0.43 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.8 | -174.3 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | R397 T444 | V390-R397 VanDerWaalsContact C-NH2 3.3Å; V390-R397 PolarHBondContact O-NH2 3.32Å; V390-T444 HydrophobicContact CG2-CG2 4.5Å |
| 391 | N | 75.7 | Confident | 84.7 | Confident | 136 Ų | 136 | 39.4 Ų | 39.4 | 73% | 0.727 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.7 | 176.6 | -59.5 | -61.1 | 0 | 0 | 0 | 115 | D389 | D389-N391 PolarHBondContact O-N 3.13Å; D389-N391 WeakPolarHBondContact OD2-CB 3.4Å; D389-N391 PolarHBondContact OD2-ND2 2.76Å |
| 392 | K | 81.8 | Confident | 84.8 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -92.7 | 156.4 | -177.7 | -59.6 | -58.2 | -177 | -174 | 0 | 113.1 | F387 D389 R397 | F387-K392 HydrophobicContact CD1-CD 4.35Å; F387-K392 HydrophobicContact CD1-CG 4.32Å; D389-K392 PolarHBondContact O-N 3.35Å; D389-K392 VanDerWaalsContact O-N 3.07Å; K392-R397 HydrophobicContact CB-CG 4.14Å; K392-R397 VanDerWaalsContact O-CZ 3.27Å; K392-R397 PolarHBondContact O-NE 2.65Å; K392-R397 PolarHBondContact O-NH2 3Å |
| 393 | L | 81.5 | Confident | 84.8 | Confident | 87 Ų | 87 | 38.5 Ų | 38.5 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | trans | -63.6 | 143.1 | 178.2 | -68.3 | 161 | 0 | 0 | 0 | 111 | P350 W395 Q396 R397 | P350-L393 HydrophobicContact CG-CD1 3.77Å; L393-W395 VanDerWaalsContact C-N 3.31Å; L393-W395 PolarHBondContact O-N 3.08Å; L393-Q396 HydrophobicContact CB-CB 4.43Å; L393-Q396 HydrophobicContact CB-CG 4.04Å; L393-Q396 WeakPolarHBondContact O-CA 3.12Å; L393-Q396 WeakPolarHBondContact O-CB 3.47Å; L393-Q396 PolarHBondContact O-N 3.42Å; L393-R397 PolarHBondContact O-N 3.5Å; L393-R397 VanDerWaalsContact O-N 3.13Å | ||
| 394 | L | 80.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 36.8 Ų | 36.8 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -53.5 | -45.2 | -174 | -173.7 | 68.3 | 0 | 0 | 0 | 112.9 | Q396 R397 A398 L507 | L394-Q396 VanDerWaalsContact C-N 3.3Å; L394-Q396 PolarHBondContact O-N 2.9Å; L394-R397 PolarHBondContact O-N 3.31Å; L394-A398 WeakPolarHBondContact O-CB 3.29Å; L394-A398 PolarHBondContact O-N 2.99Å; L394-L507 HydrophobicContact CD2-CB 4.39Å; L394-L507 HydrophobicContact CD2-CD1 4.21Å; L394-L507 HydrophobicContact CG-CD1 4.03Å |
| 395 | W | 84.3 | Confident | 85.2 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 11% | 0.114 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -28.1 | 177.7 | 71.1 | -101.6 | 0 | 0 | 0 | 113.5 | P350 F352 F355 L393 L399 P504 L507 | P350-W395 HydrophobicContact CB-CH2 4.32Å; P350-W395 HydrophobicContact CB-CZ2 4.17Å; P350-W395 HydrophobicContact CG-CZ2 3.99Å; F352-W395 HydrophobicContact CB-CH2 4.41Å; F352-W395 HydrophobicContact CD2-CD2 4.23Å; F352-W395 AromaticContact CD2-CE3 3.7Å; F352-W395 HydrophobicContact CD2-CE3 3.7Å; F352-W395 HydrophobicContact CD2-CH2 4.46Å; F352-W395 AromaticContact CD2-CZ3 3.84Å; F352-W395 HydrophobicContact CD2-CZ3 3.84Å; F352-W395 HydrophobicContact CE2-CE3 4.28Å; F355-W395 HydrophobicContact CB-CH2 4.16Å; F355-W395 HydrophobicContact CB-CZ3 3.88Å; F355-W395 HydrophobicContact CD2-CH2 4.14Å; F355-W395 HydrophobicContact CG-CH2 4.14Å; F355-W395 HydrophobicContact CG-CZ3 4.18Å; L393-W395 VanDerWaalsContact C-N 3.31Å; L393-W395 PolarHBondContact O-N 3.08Å; W395-L399 WeakPolarHBondContact O-CB 3.34Å; W395-L399 PolarHBondContact O-N 2.83Å; W395-P504 HydrophobicContact CB-CB 4.21Å; W395-P504 HydrophobicContact CD2-CB 4.18Å; W395-P504 HydrophobicContact CG-CB 3.86Å; W395-P504 HydrophobicContact CG-CG 4.39Å; W395-L507 HydrophobicContact CB-CD1 4.31Å |
| 396 | Q | 86.4 | Confident | 85.2 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.2 | -38.3 | 174.1 | -65.7 | 178.5 | -43.4 | 0 | 0 | 111 | L393 L394 A400 | L393-Q396 HydrophobicContact CB-CB 4.43Å; L393-Q396 HydrophobicContact CB-CG 4.04Å; L393-Q396 WeakPolarHBondContact O-CA 3.12Å; L393-Q396 WeakPolarHBondContact O-CB 3.47Å; L393-Q396 PolarHBondContact O-N 3.42Å; L394-Q396 VanDerWaalsContact C-N 3.3Å; L394-Q396 PolarHBondContact O-N 2.9Å; Q396-A400 VanDerWaalsContact O-CB 3.31Å; Q396-A400 WeakPolarHBondContact O-CB 3.43Å; Q396-A400 PolarHBondContact O-N 3.43Å |
| 397 | R | 87 | Confident | 85.3 | Confident | 39 Ų | 39 | 34 Ų | 34 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.1 | -46.5 | 174 | -49.5 | -168.5 | -151.7 | 167.7 | 6.9 | 110.9 | F387 D389 V390 K392 L393 L394 L399 A400 L401 | F387-R397 WeakPolarHBondContact O-CG 3.06Å; D389-R397 PolarHBondContact O-NE 3.43Å; V390-R397 VanDerWaalsContact C-NH2 3.3Å; V390-R397 PolarHBondContact O-NH2 3.32Å; K392-R397 HydrophobicContact CB-CG 4.14Å; K392-R397 VanDerWaalsContact O-CZ 3.27Å; K392-R397 PolarHBondContact O-NE 2.65Å; K392-R397 PolarHBondContact O-NH2 3Å; L393-R397 PolarHBondContact O-N 3.5Å; L393-R397 VanDerWaalsContact O-N 3.13Å; L394-R397 PolarHBondContact O-N 3.31Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-L399 PolarHBondContact O-N 3.05Å; R397-A400 PolarHBondContact O-N 3.44Å; R397-L401 WeakPolarHBondContact O-CB 3.46Å; R397-L401 WeakPolarHBondContact O-CG 3.45Å; R397-L401 PolarHBondContact O-N 2.89Å |
| 398 | A | 87.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.1 | -49.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L394 L401 E402 L495 L507 Y511 | L394-A398 WeakPolarHBondContact O-CB 3.29Å; L394-A398 PolarHBondContact O-N 2.99Å; A398-L401 WeakPolarHBondContact O-CB 3.17Å; A398-L401 PolarHBondContact O-N 3.47Å; A398-E402 WeakPolarHBondContact O-CG 3.4Å; A398-E402 PolarHBondContact O-N 3.13Å; A398-L495 HydrophobicContact CB-CD1 3.67Å; A398-L507 HydrophobicContact CB-CD1 3.59Å; A398-Y511 HydrophobicContact CB-CD1 4.09Å; A398-Y511 HydrophobicContact CB-CE1 4.06Å |
| 399 | L | 86.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.3 | -31.4 | -178.2 | -166.2 | 153.1 | 0 | 0 | 0 | 112.4 | F352 V356 K359 W395 R397 V403 L495 | F352-L399 HydrophobicContact CE2-CD1 4.03Å; V356-L399 HydrophobicContact CB-CD1 4.45Å; V356-L399 HydrophobicContact CG2-CD1 3.61Å; K359-L399 HydrophobicContact CB-CD2 3.57Å; K359-L399 HydrophobicContact CD-CD2 4.09Å; K359-L399 HydrophobicContact CG-CD2 3.39Å; W395-L399 WeakPolarHBondContact O-CB 3.34Å; W395-L399 PolarHBondContact O-N 2.83Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-L399 PolarHBondContact O-N 3.05Å; L399-V403 WeakPolarHBondContact O-CG2 3.46Å; L399-V403 PolarHBondContact O-N 3.45Å; L399-L495 HydrophobicContact CB-CD1 3.93Å; L399-L495 HydrophobicContact CD1-CB 4.18Å; L399-L495 HydrophobicContact CG-CB 4.43Å |
| 400 | A | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | L384 F387 L388 Q396 R397 V403 L404 | L384-A400 HydrophobicContact CD2-CB 4.13Å; F387-A400 HydrophobicContact CB-CB 3.72Å; L388-A400 HydrophobicContact CD2-CB 4.17Å; Q396-A400 VanDerWaalsContact O-CB 3.31Å; Q396-A400 WeakPolarHBondContact O-CB 3.43Å; Q396-A400 PolarHBondContact O-N 3.43Å; R397-A400 PolarHBondContact O-N 3.44Å; A400-V403 PolarHBondContact O-N 3.49Å; A400-L404 WeakPolarHBondContact O-CB 3.14Å; A400-L404 VanDerWaalsContact O-CG 3.3Å; A400-L404 WeakPolarHBondContact O-CG 3.43Å; A400-L404 PolarHBondContact O-N 3.06Å |
| 401 | L | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.4 | -74.3 | 170.9 | 0 | 0 | 0 | 112.2 | L388 R397 A398 V403 L404 F405 F438 Y441 C512 L515 A516 | L388-L401 HydrophobicContact CD1-CD2 4.21Å; L388-L401 HydrophobicContact CD2-CD1 4.49Å; L388-L401 HydrophobicContact CD2-CD2 3.58Å; L388-L401 HydrophobicContact CD2-CG 3.57Å; R397-L401 WeakPolarHBondContact O-CB 3.46Å; R397-L401 WeakPolarHBondContact O-CG 3.45Å; R397-L401 PolarHBondContact O-N 2.89Å; A398-L401 WeakPolarHBondContact O-CB 3.17Å; A398-L401 PolarHBondContact O-N 3.47Å; L401-V403 VanDerWaalsContact C-N 3.27Å; L401-V403 PolarHBondContact O-N 3.29Å; L401-L404 PolarHBondContact O-N 3.04Å; L401-F405 WeakPolarHBondContact O-CB 3.23Å; L401-F405 PolarHBondContact O-N 3.21Å; L401-F438 HydrophobicContact CD2-CD1 4.16Å; L401-F438 HydrophobicContact CD2-CE1 4.04Å; L401-Y441 HydrophobicContact CD1-CD1 4.42Å; L401-Y441 HydrophobicContact CD1-CE1 3.98Å; L401-C512 HydrophobicContact CD1-CB 4.01Å; L401-C512 WeakPolarHBondContact CD1-O 3.43Å; L401-L515 HydrophobicContact CB-CD2 3.54Å; L401-L515 HydrophobicContact CB-CG 3.89Å; L401-A516 HydrophobicContact CD1-CB 4.4Å; L401-A516 HydrophobicContact CD2-CB 4.32Å |
| 402 | E | 89.3 | Confident | 86.7 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -34.9 | 176.6 | -74.7 | -175.4 | -160.7 | 0 | 0 | 111.9 | A398 K406 G493 M494 L495 L496 Y511 L515 | A398-E402 WeakPolarHBondContact O-CG 3.4Å; A398-E402 PolarHBondContact O-N 3.13Å; E402-K406 WeakPolarHBondContact O-CG 3.23Å; E402-K406 PolarHBondContact O-N 2.98Å; E402-G493 VanDerWaalsContact OE2-C 3.26Å; E402-G493 WeakPolarHBondContact OE2-CA 3.35Å; E402-M494 PolarHBondContact OE1-N 3.37Å; E402-L495 WeakPolarHBondContact OE1-CB 3.2Å; E402-L495 WeakPolarHBondContact OE1-CG 3.35Å; E402-L495 PolarHBondContact OE1-N 3.5Å; E402-L495 PolarHBondContact OE2-N 2.79Å; E402-L496 HydrophobicContact CB-CD1 3.76Å; E402-L496 HydrophobicContact CB-CG 4.05Å; E402-L496 WeakPolarHBondContact OE2-CG 3.47Å; E402-L496 PolarHBondContact OE2-N 2.82Å; E402-Y511 PolarHBondContact OE1-OH 3Å; E402-L515 HydrophobicContact CB-CD2 4.32Å; E402-L515 HydrophobicContact CG-CD2 3.49Å; E402-L515 VanDerWaalsContact CG-CD2 3.49Å |
| 403 | V | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.2 | -44.3 | 178 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | K359 I363 L384 L399 A400 L401 F405 K406 I407 L496 | K359-V403 HydrophobicContact CB-CG2 3.7Å; K359-V403 HydrophobicContact CD-CG2 4.06Å; K359-V403 HydrophobicContact CG-CG2 4.38Å; I363-V403 HydrophobicContact CD1-CB 4.37Å; I363-V403 HydrophobicContact CD1-CG1 4.31Å; I363-V403 HydrophobicContact CD1-CG2 3.97Å; I363-V403 HydrophobicContact CG1-CB 4.43Å; I363-V403 HydrophobicContact CG1-CG1 3.84Å; I363-V403 HydrophobicContact CG1-CG2 4.35Å; L384-V403 HydrophobicContact CD1-CG1 3.68Å; L384-V403 HydrophobicContact CD2-CB 3.93Å; L384-V403 HydrophobicContact CD2-CG1 3.67Å; L384-V403 HydrophobicContact CG-CG1 4.36Å; L399-V403 WeakPolarHBondContact O-CG2 3.46Å; L399-V403 PolarHBondContact O-N 3.45Å; A400-V403 PolarHBondContact O-N 3.49Å; L401-V403 VanDerWaalsContact C-N 3.27Å; L401-V403 PolarHBondContact O-N 3.29Å; V403-F405 VanDerWaalsContact C-N 3.29Å; V403-F405 PolarHBondContact O-N 3.24Å; V403-K406 PolarHBondContact O-N 3.15Å; V403-I407 HydrophobicContact CG1-CD1 3.87Å; V403-I407 WeakPolarHBondContact O-CG1 3.16Å; V403-I407 PolarHBondContact O-N 3.22Å; V403-L496 HydrophobicContact CG2-CD1 4.29Å; V403-L496 HydrophobicContact CG2-CD2 3.96Å |
| 404 | L | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 173.7 | -69.5 | 172.2 | 0 | 0 | 0 | 111.2 | L384 L388 A400 L401 I407 V408 L434 F438 | L384-L404 HydrophobicContact CB-CD1 4.36Å; L384-L404 HydrophobicContact CB-CD2 3.83Å; L384-L404 HydrophobicContact CB-CG 4.16Å; L384-L404 HydrophobicContact CD1-CD2 4.2Å; L384-L404 HydrophobicContact CG-CD2 4.49Å; L388-L404 HydrophobicContact CD1-CD1 3.91Å; L388-L404 HydrophobicContact CD2-CD1 4.28Å; L388-L404 HydrophobicContact CG-CD1 4.28Å; A400-L404 WeakPolarHBondContact O-CB 3.14Å; A400-L404 VanDerWaalsContact O-CG 3.3Å; A400-L404 WeakPolarHBondContact O-CG 3.43Å; A400-L404 PolarHBondContact O-N 3.06Å; L401-L404 PolarHBondContact O-N 3.04Å; L404-I407 PolarHBondContact O-N 3.29Å; L404-V408 VanDerWaalsContact O-CB 3.29Å; L404-V408 WeakPolarHBondContact O-CB 3.35Å; L404-V408 VanDerWaalsContact O-CG2 3.23Å; L404-V408 WeakPolarHBondContact O-CG2 3.46Å; L404-V408 PolarHBondContact O-N 3.25Å; L404-L434 HydrophobicContact CB-CD1 4.42Å; L404-L434 HydrophobicContact CD1-CD1 3.74Å; L404-L434 HydrophobicContact CD2-CD1 3.64Å; L404-L434 HydrophobicContact CG-CD1 4.12Å; L404-F438 HydrophobicContact CB-CE1 4.19Å; L404-F438 HydrophobicContact CB-CZ 4.13Å; L404-F438 HydrophobicContact CD1-CE1 4.09Å |
| 405 | F | 89.9 | Confident | 87.4 | Confident | 16 Ų | 16 | 23.2 Ų | 23.2 | 7% | 0.07 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 170.3 | -179.4 | -90.7 | 0 | 0 | 0 | 111.3 | L401 V403 I407 V408 E409 L515 L518 K522 | L401-F405 WeakPolarHBondContact O-CB 3.23Å; L401-F405 PolarHBondContact O-N 3.21Å; V403-F405 VanDerWaalsContact C-N 3.29Å; V403-F405 PolarHBondContact O-N 3.24Å; F405-I407 VanDerWaalsContact C-N 3.31Å; F405-I407 PolarHBondContact O-N 3.25Å; F405-V408 PolarHBondContact O-N 3.16Å; F405-E409 VanDerWaalsContact O-CB 3.23Å; F405-E409 WeakPolarHBondContact O-CB 3.33Å; F405-E409 PolarHBondContact O-N 3.06Å; F405-L515 HydrophobicContact CB-CD1 4.43Å; F405-L515 HydrophobicContact CD2-CD1 4.42Å; F405-L515 HydrophobicContact CG-CD1 4.42Å; F405-L518 HydrophobicContact CD2-CB 4.23Å; F405-L518 HydrophobicContact CE2-CB 3.94Å; F405-K522 HydrophobicContact CD2-CG 4.31Å; F405-K522 HydrophobicContact CE2-CB 4.2Å; F405-K522 HydrophobicContact CE2-CG 3.47Å; F405-K522 VanDerWaalsContact CE2-CG 3.47Å; F405-K522 HydrophobicContact CZ-CG 3.87Å |
| 406 | K | 88.3 | Confident | 87.4 | Confident | 77 Ų | 77 | 24.3 Ų | 24.3 | 34% | 0.335 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64.8 | -31.8 | 178.6 | -78.9 | -74.3 | 163.4 | -158.7 | 0 | 113.9 | I363 E402 V403 E409 L496 | I363-K406 HydrophobicContact CD1-CB 3.94Å; I363-K406 HydrophobicContact CD1-CG 4.2Å; I363-K406 HydrophobicContact CG1-CB 4.36Å; E402-K406 WeakPolarHBondContact O-CG 3.23Å; E402-K406 PolarHBondContact O-N 2.98Å; V403-K406 PolarHBondContact O-N 3.15Å; K406-E409 WeakPolarHBondContact CD-OE2 3.29Å; K406-E409 WeakPolarHBondContact CE-OE2 3.3Å; K406-E409 IonicContact NZ-OE2 3.8Å; K406-E409 PolarHBondContact NZ-OE2 2.58Å; K406-L496 HydrophobicContact CG-CD1 4.1Å |
| 407 | I | 87.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.7 | -48 | 174 | -73.1 | 163.4 | 0 | 0 | 0 | 110.4 | V366 L381 L384 V403 L404 F405 E409 Q410 L413 I417 | V366-I407 HydrophobicContact CG1-CG1 4.42Å; L381-I407 HydrophobicContact CD2-CD1 3.89Å; L381-I407 HydrophobicContact CD2-CG2 4.28Å; L384-I407 HydrophobicContact CD1-CD1 3.95Å; V403-I407 HydrophobicContact CG1-CD1 3.87Å; V403-I407 WeakPolarHBondContact O-CG1 3.16Å; V403-I407 PolarHBondContact O-N 3.22Å; L404-I407 PolarHBondContact O-N 3.29Å; F405-I407 VanDerWaalsContact C-N 3.31Å; F405-I407 PolarHBondContact O-N 3.25Å; I407-E409 VanDerWaalsContact C-N 3.32Å; I407-E409 PolarHBondContact O-N 2.99Å; I407-Q410 PolarHBondContact O-N 2.69Å; I407-L413 HydrophobicContact CB-CD2 4.2Å; I407-L413 HydrophobicContact CG1-CD2 4.2Å; I407-L413 HydrophobicContact CG2-CD2 3.86Å; I407-L413 HydrophobicContact CG2-CG 4.35Å; I407-I417 HydrophobicContact CG2-CD1 3.77Å |
| 408 | V | 87.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -30.2 | 179.5 | 168.5 | 0 | 0 | 0 | 0 | 112.3 | L404 F405 Q410 L434 F438 K522 T523 S526 | L404-V408 VanDerWaalsContact O-CB 3.29Å; L404-V408 WeakPolarHBondContact O-CB 3.35Å; L404-V408 VanDerWaalsContact O-CG2 3.23Å; L404-V408 WeakPolarHBondContact O-CG2 3.46Å; L404-V408 PolarHBondContact O-N 3.25Å; F405-V408 PolarHBondContact O-N 3.16Å; V408-Q410 PolarHBondContact O-N 3.04Å; V408-Q410 VanDerWaalsContact O-N 3.15Å; V408-L434 HydrophobicContact CG2-CD2 4Å; V408-F438 HydrophobicContact CG2-CE2 4.4Å; V408-F438 HydrophobicContact CG2-CZ 4.41Å; V408-K522 HydrophobicContact CG1-CB 3.99Å; V408-T523 HydrophobicContact CG1-CG2 4.5Å; V408-T523 VanDerWaalsContact CG1-N 3.32Å; V408-T523 VanDerWaalsContact CG1-OG1 3.3Å; V408-T523 WeakPolarHBondContact CG1-OG1 3.3Å; V408-S526 WeakPolarHBondContact O-CB 3.47Å; V408-S526 PolarHBondContact O-OG 3.42Å |
| 409 | E | 86.3 | Confident | 87 | Confident | 69 Ų | 69 | 26 Ų | 26 | 32% | 0.322 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14.8 | 174.7 | -174.5 | 170.1 | -131.6 | 0 | 0 | 112.9 | F405 K406 I407 | F405-E409 VanDerWaalsContact O-CB 3.23Å; F405-E409 WeakPolarHBondContact O-CB 3.33Å; F405-E409 PolarHBondContact O-N 3.06Å; K406-E409 WeakPolarHBondContact CD-OE2 3.29Å; K406-E409 WeakPolarHBondContact CE-OE2 3.3Å; K406-E409 IonicContact NZ-OE2 3.8Å; K406-E409 PolarHBondContact NZ-OE2 2.58Å; I407-E409 VanDerWaalsContact C-N 3.32Å; I407-E409 PolarHBondContact O-N 2.99Å |
| 410 | Q | 87.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 26.6 Ų | 26.6 | 36% | 0.355 | 13% | 0.129 | S | C | . | . | trans | -107 | 106.5 | 179.2 | -64 | -170.2 | 6.7 | 0 | 0 | 112.2 | N367 I407 V408 E412 L413 V414 | N367-Q410 VanDerWaalsContact CG-OE1 3.24Å; N367-Q410 PolarHBondContact ND2-NE2 2.72Å; N367-Q410 PolarHBondContact ND2-OE1 3.28Å; N367-Q410 PolarHBondContact OD1-OE1 3.29Å; I407-Q410 PolarHBondContact O-N 2.69Å; V408-Q410 PolarHBondContact O-N 3.04Å; V408-Q410 VanDerWaalsContact O-N 3.15Å; Q410-E412 PolarHBondContact O-N 3.41Å; Q410-L413 HydrophobicContact CB-CB 3.94Å; Q410-L413 PolarHBondContact O-N 3.38Å; Q410-V414 PolarHBondContact O-N 2.86Å; Q410-V414 VanDerWaalsContact O-N 3.14Å | ||
| 411 | P | 87.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 26.7 Ų | 26.7 | 21% | 0.214 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | -173.9 | 23 | -32.2 | 0 | 0 | 0 | 113.8 | L413 V414 K415 V529 I530 | P411-L413 VanDerWaalsContact C-N 3.28Å; P411-L413 PolarHBondContact O-N 2.9Å; P411-V414 PolarHBondContact O-N 3.22Å; P411-K415 WeakPolarHBondContact O-CB 3.31Å; P411-K415 PolarHBondContact O-N 3.41Å; P411-V529 HydrophobicContact CB-CB 3.96Å; P411-V529 HydrophobicContact CB-CG1 3.93Å; P411-V529 HydrophobicContact CG-CB 4.13Å; P411-V529 HydrophobicContact CG-CG1 3.73Å; P411-I530 HydrophobicContact CB-CD1 4.34Å; P411-I530 HydrophobicContact CB-CG1 3.71Å; P411-I530 VanDerWaalsContact O-CD1 3.28Å; P411-I530 WeakPolarHBondContact O-CD1 3.4Å; P411-I530 VanDerWaalsContact O-CG1 3.31Å; P411-I530 WeakPolarHBondContact O-CG1 3.49Å |
| 412 | E | 83.7 | Confident | 86.4 | Confident | 89 Ų | 89 | 27 Ų | 27 | 42% | 0.416 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.1 | -35.5 | 177.1 | -68.4 | -54.9 | 140.1 | 0 | 0 | 112.4 | Q410 K415 H416 | Q410-E412 PolarHBondContact O-N 3.41Å; E412-K415 WeakPolarHBondContact O-CB 3.47Å; E412-K415 PolarHBondContact O-N 2.97Å; E412-H416 PolarHBondContact O-CD2 2.91Å; E412-H416 VanDerWaalsContact O-CD2 3.22Å; E412-H416 PolarHBondContact O-N 3.33Å |
| 413 | L | 85.5 | Confident | 86 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.3 | -44.7 | 176.1 | 176.2 | 58.1 | 0 | 0 | 0 | 111.4 | V366 N367 F370 I407 Q410 P411 K415 H416 I417 | V366-L413 HydrophobicContact CG1-CD1 3.66Å; V366-L413 HydrophobicContact CG1-CD2 3.72Å; V366-L413 HydrophobicContact CG1-CG 4.21Å; V366-L413 WeakPolarHBondContact O-CD1 3.37Å; N367-L413 VanDerWaalsContact OD1-CD2 3.31Å; N367-L413 WeakPolarHBondContact OD1-CD2 3.45Å; F370-L413 HydrophobicContact CD2-CD1 3.89Å; F370-L413 HydrophobicContact CE2-CD1 4.46Å; F370-L413 HydrophobicContact CG-CD1 4.27Å; I407-L413 HydrophobicContact CB-CD2 4.2Å; I407-L413 HydrophobicContact CG1-CD2 4.2Å; I407-L413 HydrophobicContact CG2-CD2 3.86Å; I407-L413 HydrophobicContact CG2-CG 4.35Å; Q410-L413 HydrophobicContact CB-CB 3.94Å; Q410-L413 PolarHBondContact O-N 3.38Å; P411-L413 VanDerWaalsContact C-N 3.28Å; P411-L413 PolarHBondContact O-N 2.9Å; L413-K415 VanDerWaalsContact C-N 3.29Å; L413-K415 PolarHBondContact O-N 3.15Å; L413-H416 PolarHBondContact O-N 3.47Å; L413-H416 VanDerWaalsContact O-N 3.16Å; L413-I417 HydrophobicContact CD1-CD1 4.09Å; L413-I417 HydrophobicContact CD1-CG1 4.18Å; L413-I417 HydrophobicContact CG-CD1 3.95Å; L413-I417 HydrophobicContact CG-CG1 4.49Å; L413-I417 VanDerWaalsContact O-CG1 3.29Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.93Å |
| 414 | V | 87.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | Q410 P411 H416 I417 C418 F431 I530 I565 | Q410-V414 PolarHBondContact O-N 2.86Å; Q410-V414 VanDerWaalsContact O-N 3.14Å; P411-V414 PolarHBondContact O-N 3.22Å; V414-H416 PolarHBondContact O-N 2.77Å; V414-I417 PolarHBondContact O-N 2.62Å; V414-C418 PolarHBondContact O-N 2.82Å; V414-C418 PolarHBondContact O-SG 3.44Å; V414-F431 HydrophobicContact CG1-CD2 4.11Å; V414-F431 HydrophobicContact CG1-CE2 3.55Å; V414-F431 HydrophobicContact CG1-CZ 3.95Å; V414-I530 HydrophobicContact CB-CD1 3.86Å; V414-I530 HydrophobicContact CG1-CD1 3.67Å; V414-I565 HydrophobicContact CG1-CD1 4.36Å |
| 415 | K | 85.3 | Confident | 84.4 | Confident | 33 Ų | 33 | 44.7 Ų | 44.7 | 14% | 0.143 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 172.7 | 173.8 | 177.2 | 176.3 | -178.6 | 0 | 111.5 | P411 E412 L413 C418 I419 I530 N534 F561 | P411-K415 WeakPolarHBondContact O-CB 3.31Å; P411-K415 PolarHBondContact O-N 3.41Å; E412-K415 WeakPolarHBondContact O-CB 3.47Å; E412-K415 PolarHBondContact O-N 2.97Å; L413-K415 VanDerWaalsContact C-N 3.29Å; L413-K415 PolarHBondContact O-N 3.15Å; K415-C418 PolarHBondContact O-N 3.34Å; K415-I419 HydrophobicContact CG-CD1 3.8Å; K415-I419 VanDerWaalsContact O-CG1 3.29Å; K415-I419 WeakPolarHBondContact O-CG1 3.28Å; K415-I419 PolarHBondContact O-N 2.93Å; K415-I530 HydrophobicContact CB-CD1 4.35Å; K415-I530 HydrophobicContact CB-CG1 4.3Å; K415-I530 HydrophobicContact CB-CG2 4.19Å; K415-I530 HydrophobicContact CD-CG2 4.46Å; K415-I530 HydrophobicContact CG-CG2 4.47Å; K415-N534 PolarHBondContact NZ-OD1 3.17Å; K415-F561 HydrophobicContact CB-CZ 4.27Å; K415-F561 HydrophobicContact CD-CE1 4.45Å; K415-F561 HydrophobicContact CG-CE1 3.86Å; K415-F561 HydrophobicContact CG-CZ 3.83Å |
| 416 | H | 83.6 | Confident | 83.6 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -42 | 178.6 | -67.3 | -34.1 | 0 | 0 | 0 | 113.3 | F370 H371 E412 L413 V414 C418 I419 S420 | F370-H416 HydrophobicContact CD1-CB 3.64Å; F370-H416 HydrophobicContact CE1-CB 3.56Å; F370-H416 WeakPolarHBondContact CE1-O 3.19Å; F370-H416 HydrophobicContact CG-CB 4.4Å; F370-H416 HydrophobicContact CZ-CB 4.28Å; H371-H416 AromaticContact CE1-CD2 3.7Å; H371-H416 AromaticContact CE1-CE1 3.43Å; H371-H416 PolarHBondContact CE1-CE1 3.29Å; H371-H416 VanDerWaalsContact CE1-CE1 3.43Å; H371-H416 AromaticContact CE1-CG 3.64Å; H371-H416 AromaticContact CE1-ND1 3.47Å; H371-H416 PolarHBondContact CE1-ND1 3.39Å; H371-H416 AromaticContact CE1-NE2 3.54Å; H371-H416 AromaticContact NE2-CD2 3.33Å; H371-H416 PolarHBondContact NE2-CD2 3.42Å; H371-H416 VanDerWaalsContact NE2-CD2 3.33Å; H371-H416 AromaticContact NE2-CE1 3.39Å; H371-H416 PolarHBondContact NE2-CE1 2.83Å; H371-H416 AromaticContact NE2-CG 3.78Å; H371-H416 AromaticContact NE2-ND1 3.8Å; H371-H416 AromaticContact NE2-NE2 3.03Å; H371-H416 PolarHBondContact NE2-NE2 3.25Å; E412-H416 PolarHBondContact O-CD2 2.91Å; E412-H416 VanDerWaalsContact O-CD2 3.22Å; E412-H416 PolarHBondContact O-N 3.33Å; L413-H416 PolarHBondContact O-N 3.47Å; L413-H416 VanDerWaalsContact O-N 3.16Å; V414-H416 PolarHBondContact O-N 2.77Å; H416-C418 VanDerWaalsContact C-N 3.33Å; H416-C418 PolarHBondContact O-N 2.86Å; H416-I419 PolarHBondContact O-N 2.92Å; H416-S420 WeakPolarHBondContact O-CB 3.21Å; H416-S420 PolarHBondContact O-N 3.16Å |
| 417 | I | 85.6 | Confident | 83.1 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.5 | -48.6 | 173.1 | -70.1 | 168.1 | 0 | 0 | 0 | 110.2 | F370 L381 I407 L413 V414 I419 S420 Y421 F431 | F370-I417 HydrophobicContact CE2-CG1 3.72Å; F370-I417 HydrophobicContact CZ-CG1 4.07Å; L381-I417 HydrophobicContact CD1-CD1 3.81Å; L381-I417 HydrophobicContact CD1-CG1 3.84Å; L381-I417 HydrophobicContact CD1-CG2 4.25Å; L381-I417 HydrophobicContact CD2-CD1 4.22Å; I407-I417 HydrophobicContact CG2-CD1 3.77Å; L413-I417 HydrophobicContact CD1-CD1 4.09Å; L413-I417 HydrophobicContact CD1-CG1 4.18Å; L413-I417 HydrophobicContact CG-CD1 3.95Å; L413-I417 HydrophobicContact CG-CG1 4.49Å; L413-I417 VanDerWaalsContact O-CG1 3.29Å; L413-I417 WeakPolarHBondContact O-CG1 3.38Å; L413-I417 PolarHBondContact O-N 2.93Å; V414-I417 PolarHBondContact O-N 2.62Å; I417-I419 PolarHBondContact O-N 3.47Å; I417-S420 PolarHBondContact O-N 3.14Å; I417-Y421 HydrophobicContact CB-CD2 4.42Å; I417-Y421 HydrophobicContact CB-CE2 4.46Å; I417-Y421 HydrophobicContact CG1-CE2 4.47Å; I417-Y421 HydrophobicContact CG2-CD2 3.9Å; I417-Y421 HydrophobicContact CG2-CE2 4.22Å; I417-Y421 WeakPolarHBondContact O-CD2 3.39Å; I417-Y421 PolarHBondContact O-N 3.22Å; I417-Y421 VanDerWaalsContact O-N 3.08Å; I417-F431 HydrophobicContact CG2-CB 4.43Å |
| 418 | C | 84.6 | Confident | 82.7 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -66.2 | -40.3 | -179.4 | -66.9 | 0 | 0 | 0 | 0 | 113.1 | V414 K415 H416 D422 M423 F431 F561 I565 | V414-C418 PolarHBondContact O-N 2.82Å; V414-C418 PolarHBondContact O-SG 3.44Å; K415-C418 PolarHBondContact O-N 3.34Å; H416-C418 VanDerWaalsContact C-N 3.33Å; H416-C418 PolarHBondContact O-N 2.86Å; C418-D422 PolarHBondContact O-N 3.19Å; C418-M423 WeakPolarHBondContact O-CG 3.03Å; C418-M423 PolarHBondContact O-N 3.14Å; C418-F431 VanDerWaalsContact SG-CB 3.53Å; C418-F431 WeakPolarHBondContact SG-CD1 3.28Å; C418-F431 WeakPolarHBondContact SG-CG 3.42Å; C418-F561 HydrophobicContact CB-CE2 3.74Å; C418-F561 HydrophobicContact CB-CZ 4.2Å; C418-I565 HydrophobicContact CB-CD1 3.96Å; C418-I565 HydrophobicContact CB-CG1 4.23Å; C418-I565 WeakPolarHBondContact SG-CD1 3.31Å |
| 419 | I | 82.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -66.7 | -41 | 177.2 | -67.5 | 169.1 | 0 | 0 | 0 | 111.5 | K415 H416 I417 F561 | K415-I419 HydrophobicContact CG-CD1 3.8Å; K415-I419 VanDerWaalsContact O-CG1 3.29Å; K415-I419 WeakPolarHBondContact O-CG1 3.28Å; K415-I419 PolarHBondContact O-N 2.93Å; H416-I419 PolarHBondContact O-N 2.92Å; I417-I419 PolarHBondContact O-N 3.47Å; I419-F561 HydrophobicContact CD1-CD2 4.33Å; I419-F561 HydrophobicContact CD1-CE2 4.22Å; I419-F561 HydrophobicContact CD1-CZ 4.41Å; I419-F561 HydrophobicContact CG1-CD2 3.58Å; I419-F561 HydrophobicContact CG1-CE2 3.46Å; I419-F561 VanDerWaalsContact CG1-CE2 3.46Å; I419-F561 HydrophobicContact CG1-CG 4.3Å; I419-F561 HydrophobicContact CG1-CZ 4.09Å |
| 420 | S | 80.8 | Confident | 82.6 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -72.6 | -36.3 | -177.4 | -87.6 | 0 | 0 | 0 | 0 | 114.1 | F370 N374 H416 I417 R424 | F370-S420 WeakPolarHBondContact CE1-OG 3.44Å; N374-S420 WeakPolarHBondContact OD1-CB 3.39Å; N374-S420 PolarHBondContact OD1-OG 2.98Å; H416-S420 WeakPolarHBondContact O-CB 3.21Å; H416-S420 PolarHBondContact O-N 3.16Å; I417-S420 PolarHBondContact O-N 3.14Å; S420-R424 WeakPolarHBondContact O-CD 3.33Å; S420-R424 PolarHBondContact O-NE 3.42Å |
| 421 | Y | 87.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -117.7 | -67.4 | -170.9 | -42.4 | -61.6 | 0 | 0 | 0 | 111.6 | F370 N374 C377 E378 L381 I417 M423 R424 T428 I430 | F370-Y421 AromaticContact CE2-CE2 3.85Å; F370-Y421 HydrophobicContact CE2-CE2 3.85Å; F370-Y421 WeakPolarHBondContact CE2-OH 3.5Å; F370-Y421 AromaticContact CZ-CE2 3.64Å; F370-Y421 HydrophobicContact CZ-CE2 3.64Å; F370-Y421 AromaticContact CZ-CZ 3.82Å; N374-Y421 WeakPolarHBondContact O-CE1 3.31Å; N374-Y421 PolarHBondContact O-OH 2.88Å; N374-Y421 PolarHBondContact OD1-OH 2.93Å; C377-Y421 WeakPolarHBondContact CB-OH 3.41Å; E378-Y421 HydrophobicContact CB-CD1 4.18Å; E378-Y421 HydrophobicContact CB-CE1 3.57Å; E378-Y421 HydrophobicContact CG-CE1 4.46Å; E378-Y421 PolarHBondContact N-OH 3.32Å; E378-Y421 VanDerWaalsContact N-OH 3.15Å; L381-Y421 HydrophobicContact CD1-CE2 4.03Å; I417-Y421 HydrophobicContact CB-CD2 4.42Å; I417-Y421 HydrophobicContact CB-CE2 4.46Å; I417-Y421 HydrophobicContact CG1-CE2 4.47Å; I417-Y421 HydrophobicContact CG2-CD2 3.9Å; I417-Y421 HydrophobicContact CG2-CE2 4.22Å; I417-Y421 WeakPolarHBondContact O-CD2 3.39Å; I417-Y421 PolarHBondContact O-N 3.22Å; I417-Y421 VanDerWaalsContact O-N 3.08Å; Y421-M423 VanDerWaalsContact C-N 3.25Å; Y421-M423 PolarHBondContact O-N 3.33Å; Y421-M423 VanDerWaalsContact O-N 3.1Å; Y421-R424 PolarHBondContact O-N 3.46Å; Y421-T428 WeakPolarHBondContact CB-O 3.34Å; Y421-I430 HydrophobicContact CD1-CD1 4Å; Y421-I430 HydrophobicContact CD2-CB 4.29Å; Y421-I430 HydrophobicContact CD2-CD1 3.5Å; Y421-I430 VanDerWaalsContact CD2-CD1 3.5Å; Y421-I430 HydrophobicContact CD2-CG1 4.09Å; Y421-I430 HydrophobicContact CE1-CD1 4.32Å; Y421-I430 HydrophobicContact CE2-CD1 3.82Å; Y421-I430 HydrophobicContact CG-CD1 3.58Å; Y421-I430 HydrophobicContact CG-CG1 4.05Å |
| 422 | D | 85.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -57.8 | -31.1 | -173.8 | -86.1 | 59.2 | 0 | 0 | 0 | 114.6 | C418 K429 I430 F431 H432 N568 | C418-D422 PolarHBondContact O-N 3.19Å; D422-K429 PolarHBondContact O-NZ 3.27Å; D422-K429 WeakPolarHBondContact OD1-CA 3.24Å; D422-I430 PolarHBondContact OD1-N 2.89Å; D422-F431 WeakPolarHBondContact OD1-CB 3.21Å; D422-F431 PolarHBondContact OD1-N 2.87Å; D422-H432 PolarHBondContact OD2-N 3.02Å; D422-N568 PolarHBondContact OD2-ND2 3Å |
| 423 | M | 80.1 | Confident | 82.8 | Confident | 62 Ų | 62 | 49 Ų | 49 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -20.6 | 176.2 | -71.4 | -64.9 | -67.1 | 0 | 0 | 114.5 | C418 Y421 F561 Q564 | C418-M423 WeakPolarHBondContact O-CG 3.03Å; C418-M423 PolarHBondContact O-N 3.14Å; Y421-M423 VanDerWaalsContact C-N 3.25Å; Y421-M423 PolarHBondContact O-N 3.33Å; Y421-M423 VanDerWaalsContact O-N 3.1Å; M423-F561 HydrophobicContact CG-CD2 4.06Å; M423-F561 HydrophobicContact SD-CD2 4.07Å; M423-Q564 HydrophobicContact CE-CB 4.45Å; M423-Q564 HydrophobicContact SD-CB 3.55Å; M423-Q564 VanDerWaalsContact SD-CB 3.55Å; M423-Q564 HydrophobicContact SD-CG 3.59Å; M423-Q564 VanDerWaalsContact SD-CG 3.59Å |
| 424 | R | 77 | Confident | 83 | Confident | 140 Ų | 140 | 49 Ų | 49 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -86.8 | 128.1 | -176.8 | -62.3 | -175.6 | -175.3 | -175.6 | 1.2 | 110.5 | S420 Y421 H426 A427 K429 | S420-R424 WeakPolarHBondContact O-CD 3.33Å; S420-R424 PolarHBondContact O-NE 3.42Å; Y421-R424 PolarHBondContact O-N 3.46Å; R424-H426 VanDerWaalsContact C-N 3.28Å; R424-H426 PolarHBondContact O-N 3.19Å; R424-A427 HydrophobicContact CB-CB 3.72Å; R424-A427 PolarHBondContact O-N 3.13Å; R424-K429 PolarHBondContact O-NZ 3.4Å |
| 425 | Q | 69.8 | Low | 83.1 | Confident | 172 Ų | 172 | 49 Ų | 49 | 80% | 0.804 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32.1 | -171.8 | -70.6 | -174.5 | -7.1 | 0 | 0 | 114.5 | ||
| 426 | H | 73.4 | Confident | 83.2 | Confident | 186 Ų | 186 | 50.4 Ų | 50.4 | 86% | 0.861 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 11.1 | -177.4 | -54.3 | -51.6 | 0 | 0 | 0 | 114.3 | R424 | R424-H426 VanDerWaalsContact C-N 3.28Å; R424-H426 PolarHBondContact O-N 3.19Å |
| 427 | A | 76.5 | Confident | 83.4 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -94 | 160.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R424 | R424-A427 HydrophobicContact CB-CB 3.72Å; R424-A427 PolarHBondContact O-N 3.13Å |
| 428 | T | 78.4 | Confident | 83.6 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | trans | -58.2 | 145.8 | 170.6 | 59.8 | 0 | 0 | 0 | 0 | 110.3 | E378 Y421 I430 | E378-T428 WeakPolarHBondContact OE1-CG2 3.44Å; E378-T428 PolarHBondContact OE1-OG1 3.01Å; Y421-T428 WeakPolarHBondContact CB-O 3.34Å; T428-I430 VanDerWaalsContact C-N 3.31Å; T428-I430 PolarHBondContact O-N 3.26Å; T428-I430 WeakPolarHBondContact OG1-CG1 3.34Å | ||
| 429 | K | 85 | Confident | 83.8 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 26% | 0.261 | 24% | 0.239 | S | C | . | . | trans | -98.3 | 61.4 | -177.4 | -57.8 | -56.2 | -175.5 | -173.4 | 0 | 109.2 | D422 R424 F431 H432 E433 | D422-K429 PolarHBondContact O-NZ 3.27Å; D422-K429 WeakPolarHBondContact OD1-CA 3.24Å; R424-K429 PolarHBondContact O-NZ 3.4Å; K429-F431 PolarHBondContact O-N 3.49Å; K429-F431 VanDerWaalsContact O-N 3.15Å; K429-H432 HydrophobicContact CB-CB 3.88Å; K429-H432 WeakPolarHBondContact O-CB 3.48Å; K429-H432 PolarHBondContact O-N 2.87Å; K429-H432 VanDerWaalsContact O-N 3.07Å; K429-E433 PolarHBondContact N-OE1 3.07Å; K429-E433 WeakPolarHBondContact O-CB 3.49Å; K429-E433 WeakPolarHBondContact O-CG 3.4Å; K429-E433 PolarHBondContact O-N 3.22Å | ||
| 430 | I | 87.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.9 | -39.6 | -168.8 | -52.6 | -172 | 0 | 0 | 0 | 112.5 | E378 L381 I385 Y421 D422 T428 L434 | E378-I430 HydrophobicContact CB-CD1 3.77Å; E378-I430 HydrophobicContact CG-CD1 3.69Å; L381-I430 HydrophobicContact CB-CG2 3.65Å; L381-I430 HydrophobicContact CD1-CG2 4.17Å; L381-I430 HydrophobicContact CG-CG2 4.49Å; I385-I430 HydrophobicContact CD1-CG2 3.9Å; Y421-I430 HydrophobicContact CD1-CD1 4Å; Y421-I430 HydrophobicContact CD2-CB 4.29Å; Y421-I430 HydrophobicContact CD2-CD1 3.5Å; Y421-I430 VanDerWaalsContact CD2-CD1 3.5Å; Y421-I430 HydrophobicContact CD2-CG1 4.09Å; Y421-I430 HydrophobicContact CE1-CD1 4.32Å; Y421-I430 HydrophobicContact CE2-CD1 3.82Å; Y421-I430 HydrophobicContact CG-CD1 3.58Å; Y421-I430 HydrophobicContact CG-CG1 4.05Å; D422-I430 PolarHBondContact OD1-N 2.89Å; T428-I430 VanDerWaalsContact C-N 3.31Å; T428-I430 PolarHBondContact O-N 3.26Å; T428-I430 WeakPolarHBondContact OG1-CG1 3.34Å; I430-L434 WeakPolarHBondContact O-CB 3.49Å; I430-L434 PolarHBondContact O-N 3.02Å |
| 431 | F | 88.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.2 | -40 | -179.8 | -177.4 | -112.6 | 0 | 0 | 0 | 112.3 | V414 I417 C418 D422 K429 L434 L435 T523 L527 I565 | V414-F431 HydrophobicContact CG1-CD2 4.11Å; V414-F431 HydrophobicContact CG1-CE2 3.55Å; V414-F431 HydrophobicContact CG1-CZ 3.95Å; I417-F431 HydrophobicContact CG2-CB 4.43Å; C418-F431 VanDerWaalsContact SG-CB 3.53Å; C418-F431 WeakPolarHBondContact SG-CD1 3.28Å; C418-F431 WeakPolarHBondContact SG-CG 3.42Å; D422-F431 WeakPolarHBondContact OD1-CB 3.21Å; D422-F431 PolarHBondContact OD1-N 2.87Å; K429-F431 PolarHBondContact O-N 3.49Å; K429-F431 VanDerWaalsContact O-N 3.15Å; F431-L434 PolarHBondContact O-N 3.29Å; F431-L435 HydrophobicContact CD1-CD1 4.22Å; F431-L435 HydrophobicContact CE1-CD1 3.8Å; F431-L435 HydrophobicContact CE2-CD1 4.48Å; F431-L435 HydrophobicContact CZ-CD1 3.94Å; F431-L435 PolarHBondContact O-N 3.43Å; F431-L435 VanDerWaalsContact O-N 3.11Å; F431-T523 HydrophobicContact CE2-CG2 3.67Å; F431-T523 HydrophobicContact CZ-CG2 3.54Å; F431-L527 HydrophobicContact CE1-CD2 4.22Å; F431-L527 HydrophobicContact CZ-CD2 4.05Å; F431-L527 HydrophobicContact CZ-CG 4.44Å; F431-I565 HydrophobicContact CD1-CG1 4.16Å; F431-I565 HydrophobicContact CE1-CD1 4.2Å; F431-I565 HydrophobicContact CE1-CG1 3.74Å |
| 432 | H | 87 | Confident | 84.3 | Confident | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 170.3 | -179.4 | 75 | 0 | 0 | 0 | 112.1 | D422 K429 L434 L435 N436 N568 | D422-H432 PolarHBondContact OD2-N 3.02Å; K429-H432 HydrophobicContact CB-CB 3.88Å; K429-H432 WeakPolarHBondContact O-CB 3.48Å; K429-H432 PolarHBondContact O-N 2.87Å; K429-H432 VanDerWaalsContact O-N 3.07Å; H432-L434 PolarHBondContact O-N 2.87Å; H432-L435 PolarHBondContact O-N 2.99Å; H432-N436 PolarHBondContact CD2-ND2 3.48Å; H432-N436 VanDerWaalsContact CD2-ND2 3.31Å; H432-N436 PolarHBondContact CE1-ND2 3.3Å; H432-N436 PolarHBondContact NE2-ND2 2.95Å; H432-N436 WeakPolarHBondContact O-CB 3.29Å; H432-N436 VanDerWaalsContact O-CG 3.29Å; H432-N436 PolarHBondContact O-N 2.97Å; H432-N436 PolarHBondContact O-ND2 3.29Å; H432-N568 PolarHBondContact ND1-O 2.94Å |
| 433 | E | 87.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.6 | -73.4 | 174.2 | -141.5 | 0 | 0 | 112 | I385 K429 N436 A437 | I385-E433 HydrophobicContact CD1-CB 4.32Å; K429-E433 PolarHBondContact N-OE1 3.07Å; K429-E433 WeakPolarHBondContact O-CB 3.49Å; K429-E433 WeakPolarHBondContact O-CG 3.4Å; K429-E433 PolarHBondContact O-N 3.22Å; E433-N436 PolarHBondContact O-N 2.87Å; E433-A437 WeakPolarHBondContact O-CB 3.43Å; E433-A437 PolarHBondContact O-N 3.15Å |
| 434 | L | 89.5 | Confident | 84.5 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.2 | 177.8 | 62.7 | 0 | 0 | 0 | 111.9 | I385 L404 V408 I430 F431 H432 A437 F438 | I385-L434 HydrophobicContact CD1-CB 3.97Å; I385-L434 HydrophobicContact CD1-CD1 4.46Å; I385-L434 HydrophobicContact CG1-CB 4.3Å; I385-L434 HydrophobicContact CG1-CD1 3.93Å; L404-L434 HydrophobicContact CB-CD1 4.42Å; L404-L434 HydrophobicContact CD1-CD1 3.74Å; L404-L434 HydrophobicContact CD2-CD1 3.64Å; L404-L434 HydrophobicContact CG-CD1 4.12Å; V408-L434 HydrophobicContact CG2-CD2 4Å; I430-L434 WeakPolarHBondContact O-CB 3.49Å; I430-L434 PolarHBondContact O-N 3.02Å; F431-L434 PolarHBondContact O-N 3.29Å; H432-L434 PolarHBondContact O-N 2.87Å; L434-A437 PolarHBondContact O-N 3.04Å; L434-F438 HydrophobicContact CD1-CD1 4.48Å; L434-F438 HydrophobicContact CD1-CE1 3.72Å; L434-F438 HydrophobicContact CD1-CE2 4.01Å; L434-F438 HydrophobicContact CD1-CZ 3.45Å; L434-F438 VanDerWaalsContact CD1-CZ 3.45Å; L434-F438 HydrophobicContact CD2-CE2 4.33Å; L434-F438 HydrophobicContact CD2-CZ 4.28Å; L434-F438 HydrophobicContact CG-CD2 4.48Å; L434-F438 HydrophobicContact CG-CE1 4.42Å; L434-F438 HydrophobicContact CG-CE2 3.8Å; L434-F438 HydrophobicContact CG-CZ 3.77Å; L434-F438 WeakPolarHBondContact O-CG 3.31Å; L434-F438 PolarHBondContact O-N 3.28Å |
| 435 | L | 88.5 | Confident | 84.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 178.4 | -79.7 | 172.1 | 0 | 0 | 0 | 112.3 | F431 H432 A437 F438 G439 L520 T523 I573 | F431-L435 HydrophobicContact CD1-CD1 4.22Å; F431-L435 HydrophobicContact CE1-CD1 3.8Å; F431-L435 HydrophobicContact CE2-CD1 4.48Å; F431-L435 HydrophobicContact CZ-CD1 3.94Å; F431-L435 PolarHBondContact O-N 3.43Å; F431-L435 VanDerWaalsContact O-N 3.11Å; H432-L435 PolarHBondContact O-N 2.99Å; L435-A437 VanDerWaalsContact C-N 3.28Å; L435-A437 PolarHBondContact O-N 3.36Å; L435-F438 HydrophobicContact CD2-CD2 4.39Å; L435-F438 PolarHBondContact O-N 3.38Å; L435-G439 PolarHBondContact O-N 3.31Å; L435-L520 HydrophobicContact CD2-CD1 4.34Å; L435-T523 HydrophobicContact CD2-CG2 3.73Å; L435-T523 HydrophobicContact CG-CG2 4.41Å; L435-I573 HydrophobicContact CD1-CD1 4.15Å; L435-I573 HydrophobicContact CD1-CG1 4.2Å; L435-I573 HydrophobicContact CD2-CD1 4.23Å; L435-I573 HydrophobicContact CD2-CG1 3.84Å |
| 436 | N | 88.1 | Confident | 85.2 | Confident | 63 Ų | 63 | 39.2 Ų | 39.2 | 34% | 0.337 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -35.2 | 175 | -69.4 | -18.8 | 0 | 0 | 0 | 111.5 | H432 E433 G439 Q440 | H432-N436 PolarHBondContact CD2-ND2 3.48Å; H432-N436 VanDerWaalsContact CD2-ND2 3.31Å; H432-N436 PolarHBondContact CE1-ND2 3.3Å; H432-N436 PolarHBondContact NE2-ND2 2.95Å; H432-N436 WeakPolarHBondContact O-CB 3.29Å; H432-N436 VanDerWaalsContact O-CG 3.29Å; H432-N436 PolarHBondContact O-N 2.97Å; H432-N436 PolarHBondContact O-ND2 3.29Å; E433-N436 PolarHBondContact O-N 2.87Å; N436-G439 PolarHBondContact O-N 3.05Å; N436-Q440 VanDerWaalsContact O-CB 3.23Å; N436-Q440 WeakPolarHBondContact O-CB 3.47Å; N436-Q440 PolarHBondContact O-N 2.94Å |
| 437 | A | 88.2 | Confident | 85.3 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69 | -37.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I385 L388 E433 L434 L435 Y441 | I385-A437 HydrophobicContact CG2-CB 3.72Å; L388-A437 HydrophobicContact CD1-CB 4.08Å; E433-A437 WeakPolarHBondContact O-CB 3.43Å; E433-A437 PolarHBondContact O-N 3.15Å; L434-A437 PolarHBondContact O-N 3.04Å; L435-A437 VanDerWaalsContact C-N 3.28Å; L435-A437 PolarHBondContact O-N 3.36Å; A437-Y441 WeakPolarHBondContact O-CB 3.49Å; A437-Y441 PolarHBondContact O-N 3.1Å |
| 438 | F | 90 | Very high | 85 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 169.4 | -63.5 | -30.2 | 0 | 0 | 0 | 111.3 | L388 L401 L404 V408 L434 L435 Y441 I442 C519 | L388-F438 HydrophobicContact CD1-CD1 4.16Å; L388-F438 HydrophobicContact CD1-CE1 4.33Å; L401-F438 HydrophobicContact CD2-CD1 4.16Å; L401-F438 HydrophobicContact CD2-CE1 4.04Å; L404-F438 HydrophobicContact CB-CE1 4.19Å; L404-F438 HydrophobicContact CB-CZ 4.13Å; L404-F438 HydrophobicContact CD1-CE1 4.09Å; V408-F438 HydrophobicContact CG2-CE2 4.4Å; V408-F438 HydrophobicContact CG2-CZ 4.41Å; L434-F438 HydrophobicContact CD1-CD1 4.48Å; L434-F438 HydrophobicContact CD1-CE1 3.72Å; L434-F438 HydrophobicContact CD1-CE2 4.01Å; L434-F438 HydrophobicContact CD1-CZ 3.45Å; L434-F438 VanDerWaalsContact CD1-CZ 3.45Å; L434-F438 HydrophobicContact CD2-CE2 4.33Å; L434-F438 HydrophobicContact CD2-CZ 4.28Å; L434-F438 HydrophobicContact CG-CD2 4.48Å; L434-F438 HydrophobicContact CG-CE1 4.42Å; L434-F438 HydrophobicContact CG-CE2 3.8Å; L434-F438 HydrophobicContact CG-CZ 3.77Å; L434-F438 WeakPolarHBondContact O-CG 3.31Å; L434-F438 PolarHBondContact O-N 3.28Å; L435-F438 HydrophobicContact CD2-CD2 4.39Å; L435-F438 PolarHBondContact O-N 3.38Å; F438-Y441 PolarHBondContact O-N 2.75Å; F438-I442 WeakPolarHBondContact O-CD1 3.21Å; F438-I442 WeakPolarHBondContact O-CG1 3.45Å; F438-I442 PolarHBondContact O-N 2.88Å; F438-C519 HydrophobicContact CD1-CB 4.27Å; F438-C519 HydrophobicContact CD2-CB 4.16Å; F438-C519 HydrophobicContact CE1-CB 3.87Å; F438-C519 HydrophobicContact CE2-CB 3.75Å; F438-C519 HydrophobicContact CG-CB 4.41Å; F438-C519 HydrophobicContact CZ-CB 3.58Å |
| 439 | G | 88 | Confident | 84.1 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L435 N436 Y441 I442 Q443 T576 | L435-G439 PolarHBondContact O-N 3.31Å; N436-G439 PolarHBondContact O-N 3.05Å; G439-Y441 VanDerWaalsContact C-N 3.32Å; G439-Y441 PolarHBondContact O-N 2.73Å; G439-I442 PolarHBondContact O-N 3.29Å; G439-Q443 WeakPolarHBondContact O-CB 3.38Å; G439-Q443 PolarHBondContact O-N 2.91Å; G439-T576 WeakPolarHBondContact CA-OG1 3.42Å |
| 440 | Q | 86.6 | Confident | 82.7 | Confident | 107 Ų | 107 | 38.1 Ų | 38.1 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.4 | -176.4 | 64 | 16 | 0 | 0 | 111.8 | N436 T444 | N436-Q440 VanDerWaalsContact O-CB 3.23Å; N436-Q440 WeakPolarHBondContact O-CB 3.47Å; N436-Q440 PolarHBondContact O-N 2.94Å; Q440-T444 HydrophobicContact CG-CG2 4.41Å; Q440-T444 WeakPolarHBondContact O-CB 3.45Å; Q440-T444 WeakPolarHBondContact O-CG2 3.48Å; Q440-T444 PolarHBondContact O-N 3.2Å; Q440-T444 PolarHBondContact O-OG1 2.7Å |
| 441 | Y | 87.4 | Confident | 80.6 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.9 | -175.9 | -96.5 | 0 | 0 | 0 | 111.8 | L388 L401 A437 F438 G439 T444 S445 C512 A516 | L388-Y441 HydrophobicContact CB-CD2 4.49Å; L388-Y441 WeakPolarHBondContact O-CD2 3.26Å; L401-Y441 HydrophobicContact CD1-CD1 4.42Å; L401-Y441 HydrophobicContact CD1-CE1 3.98Å; A437-Y441 WeakPolarHBondContact O-CB 3.49Å; A437-Y441 PolarHBondContact O-N 3.1Å; F438-Y441 PolarHBondContact O-N 2.75Å; G439-Y441 VanDerWaalsContact C-N 3.32Å; G439-Y441 PolarHBondContact O-N 2.73Å; Y441-T444 PolarHBondContact O-OG1 3.29Å; Y441-S445 VanDerWaalsContact O-CB 3.24Å; Y441-S445 WeakPolarHBondContact O-CB 3.49Å; Y441-S445 PolarHBondContact O-N 3.19Å; Y441-S445 PolarHBondContact O-OG 2.92Å; Y441-C512 HydrophobicContact CE1-CB 4.02Å; Y441-C512 WeakPolarHBondContact OH-CB 3.43Å; Y441-A516 HydrophobicContact CD1-CB 3.74Å; Y441-A516 HydrophobicContact CE1-CB 4.19Å |
| 442 | I | 87.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 175.8 | -71.8 | 160.1 | 0 | 0 | 0 | 110.3 | F438 G439 T444 S445 L446 L513 A516 T576 L580 | F438-I442 WeakPolarHBondContact O-CD1 3.21Å; F438-I442 WeakPolarHBondContact O-CG1 3.45Å; F438-I442 PolarHBondContact O-N 2.88Å; G439-I442 PolarHBondContact O-N 3.29Å; I442-T444 PolarHBondContact O-N 3.09Å; I442-S445 PolarHBondContact O-N 3.32Å; I442-L446 HydrophobicContact CG2-CD1 3.95Å; I442-L446 WeakPolarHBondContact O-CB 3.47Å; I442-L446 WeakPolarHBondContact O-CG 3.34Å; I442-L446 PolarHBondContact O-N 3.22Å; I442-L513 HydrophobicContact CB-CD1 4.43Å; I442-L513 HydrophobicContact CG1-CD1 4.14Å; I442-L513 HydrophobicContact CG2-CD1 4.29Å; I442-A516 HydrophobicContact CD1-CB 4.11Å; I442-A516 HydrophobicContact CG1-CB 3.85Å; I442-T576 HydrophobicContact CB-CG2 4.31Å; I442-T576 HydrophobicContact CD1-CG2 3.57Å; I442-T576 HydrophobicContact CG2-CG2 4.33Å; I442-L580 HydrophobicContact CD1-CD1 4.23Å; I442-L580 HydrophobicContact CG2-CD2 3.76Å; I442-L580 HydrophobicContact CG2-CG 4.1Å |
| 443 | Q | 85.3 | Confident | 76.5 | Confident | 94 Ų | 94 | 45.5 Ų | 45.5 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 179.6 | -176.3 | 178.6 | -10.7 | 0 | 0 | 112.5 | G439 A447 L579 | G439-Q443 WeakPolarHBondContact O-CB 3.38Å; G439-Q443 PolarHBondContact O-N 2.91Å; Q443-A447 WeakPolarHBondContact O-CB 3.22Å; Q443-A447 PolarHBondContact O-N 3.15Å; Q443-L579 HydrophobicContact CB-CD2 3.91Å; Q443-L579 HydrophobicContact CG-CD2 4.13Å |
| 444 | T | 83.9 | Confident | 74.2 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 18% | 0.184 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71 | -36.9 | 177.8 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | V390 Q440 Y441 I442 A447 N448 | V390-T444 HydrophobicContact CG2-CG2 4.5Å; Q440-T444 HydrophobicContact CG-CG2 4.41Å; Q440-T444 WeakPolarHBondContact O-CB 3.45Å; Q440-T444 WeakPolarHBondContact O-CG2 3.48Å; Q440-T444 PolarHBondContact O-N 3.2Å; Q440-T444 PolarHBondContact O-OG1 2.7Å; Y441-T444 PolarHBondContact O-OG1 3.29Å; I442-T444 PolarHBondContact O-N 3.09Å; T444-A447 PolarHBondContact O-N 3.13Å; T444-N448 PolarHBondContact O-N 3.21Å |
| 445 | S | 80.8 | Confident | 72 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 175.1 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | Y441 I442 F485 | Y441-S445 VanDerWaalsContact O-CB 3.24Å; Y441-S445 WeakPolarHBondContact O-CB 3.49Å; Y441-S445 PolarHBondContact O-N 3.19Å; Y441-S445 PolarHBondContact O-OG 2.92Å; I442-S445 PolarHBondContact O-N 3.32Å; S445-F485 WeakPolarHBondContact O-CE1 3.28Å |
| 446 | L | 80.1 | Confident | 69.7 | Low | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.7 | -31.8 | 174.3 | -70.6 | 172.9 | 0 | 0 | 0 | 112.9 | I442 L478 Y480 F485 L513 L579 | I442-L446 HydrophobicContact CG2-CD1 3.95Å; I442-L446 WeakPolarHBondContact O-CB 3.47Å; I442-L446 WeakPolarHBondContact O-CG 3.34Å; I442-L446 PolarHBondContact O-N 3.22Å; L446-L478 HydrophobicContact CD2-CD1 4Å; L446-Y480 HydrophobicContact CB-CD1 3.86Å; L446-Y480 HydrophobicContact CB-CE1 4.28Å; L446-Y480 HydrophobicContact CB-CG 4.28Å; L446-Y480 WeakPolarHBondContact O-CD1 3.37Å; L446-F485 HydrophobicContact CD2-CD1 4.42Å; L446-F485 HydrophobicContact CD2-CD2 3.78Å; L446-F485 HydrophobicContact CD2-CE1 4.49Å; L446-F485 HydrophobicContact CD2-CE2 3.9Å; L446-F485 HydrophobicContact CD2-CG 4.06Å; L446-F485 HydrophobicContact CD2-CZ 4.25Å; L446-F485 WeakPolarHBondContact O-CZ 3.44Å; L446-L513 HydrophobicContact CD2-CD2 4.22Å; L446-L579 HydrophobicContact CD1-CD2 4.18Å; L446-L579 HydrophobicContact CD1-CG 4.12Å |
| 447 | A | 76.4 | Confident | 67.3 | Low | 50 Ų | 50 | 60 Ų | 60 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -78 | -31.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q443 T444 P449 | Q443-A447 WeakPolarHBondContact O-CB 3.22Å; Q443-A447 PolarHBondContact O-N 3.15Å; T444-A447 PolarHBondContact O-N 3.13Å; A447-P449 WeakPolarHBondContact O-CD 3.45Å |
| 448 | N | 69.9 | Low | 64.5 | Low | 112 Ų | 112 | 66 Ų | 66 | 60% | 0.599 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -118.5 | 79.4 | -179.1 | -68.2 | -19.8 | 0 | 0 | 0 | 110.3 | T444 | T444-N448 PolarHBondContact O-N 3.21Š|
| 449 | P | 60.8 | Low | 61.8 | Low | 45 Ų | 45 | 72.5 Ų | 72.5 | 29% | 0.292 | 42% | 0.419 | S | S | . | . | trans | -59.1 | 139.1 | 175.7 | 24.8 | -33.7 | 0 | 0 | 0 | 111.1 | A447 F485 | A447-P449 WeakPolarHBondContact O-CD 3.45Å; P449-F485 HydrophobicContact CB-CE1 3.91Å; P449-F485 HydrophobicContact CB-CZ 3.99Å | ||
| 450 | C | 54.1 | Low | 59.4 | Low | 79 Ų | 79 | 76.9 Ų | 76.9 | 53% | 0.534 | 46% | 0.455 | S | S | . | . | trans | -77.4 | 147.9 | 176.4 | -72.6 | 0 | 0 | 0 | 0 | 110.4 | G452 D453 | C450-G452 PolarHBondContact O-N 2.88Å; C450-D453 WeakPolarHBondContact CB-OD2 3.36Å; C450-D453 PolarHBondContact N-OD2 2.99Å; C450-D453 VanDerWaalsContact N-OD2 3.16Å; C450-D453 PolarHBondContact O-N 2.78Å | ||
| 451 | P | 44.4 | Very low | 56.7 | Low | 144 Ų | 144 | 78.9 Ų | 78.9 | 94% | 0.935 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 101.3 | 173.4 | -18.7 | 31.6 | 0 | 0 | 0 | 110 | ||
| 452 | G | 48 | Very low | 54 | Low | 58 Ų | 58 | 86.3 Ų | 86.3 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.9 | -35.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C450 E454 | C450-G452 PolarHBondContact O-N 2.88Å; G452-E454 VanDerWaalsContact C-N 3.27Å; G452-E454 PolarHBondContact O-N 3.2Å |
| 453 | D | 41.9 | Very low | 51.2 | Low | 21 Ų | 21 | 92.3 Ų | 92.3 | 11% | 0.112 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.9 | 174.3 | -70.2 | -51.5 | 0 | 0 | 0 | 112.2 | C450 L455 Y484 | C450-D453 WeakPolarHBondContact CB-OD2 3.36Å; C450-D453 PolarHBondContact N-OD2 2.99Å; C450-D453 VanDerWaalsContact N-OD2 3.16Å; C450-D453 PolarHBondContact O-N 2.78Å; D453-L455 PolarHBondContact O-N 3.07Å; D453-Y484 VanDerWaalsContact O-O 3.05Å |
| 454 | E | 39.4 | Very low | 48.8 | Very low | 98 Ų | 98 | 93.8 Ų | 93.8 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | trans | -74.4 | 85.5 | -178 | -65.4 | -156.5 | 142.4 | 0 | 0 | 113.2 | G452 S456 K457 | G452-E454 VanDerWaalsContact C-N 3.27Å; G452-E454 PolarHBondContact O-N 3.2Å; E454-S456 VanDerWaalsContact C-N 3.34Å; E454-S456 PolarHBondContact O-N 3.17Å; E454-K457 IonicContact OE1-NZ 2.67Å | ||
| 455 | L | 43.1 | Very low | 46.1 | Very low | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | trans | -66.5 | 91.6 | 162.1 | -72.9 | 174 | 0 | 0 | 0 | 110.9 | D453 | D453-L455 PolarHBondContact O-N 3.07Š| ||
| 456 | S | 39.6 | Very low | 43.5 | Very low | 106 Ų | 106 | 107.4 Ų | 107.4 | 74% | 0.741 | 62% | 0.623 | S | S | * | * | trans | 64.7 | 104.9 | 164.6 | 60.9 | 0 | 0 | 0 | 0 | 118.5 | E454 | E454-S456 VanDerWaalsContact C-N 3.34Å; E454-S456 PolarHBondContact O-N 3.17Å | ||
| 457 | K | 37.8 | Very low | 41 | Very low | 144 Ų | 144 | 113.8 Ų | 113.8 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -107.4 | -26.3 | 147.2 | -89.1 | 174.5 | -177.1 | 151.6 | 0 | 113.4 | E454 | E454-K457 IonicContact OE1-NZ 2.67Š|
| 458 | D | 30.2 | Very low | 38.7 | Very low | 146 Ų | 146 | 117.4 Ų | 117.4 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | trans | -100.1 | 100.5 | -177.6 | -67.2 | -38.5 | 0 | 0 | 0 | 112.1 | ||||
| 459 | N | 32.6 | Very low | 36.6 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | trans | -174.9 | 58.3 | 147.3 | -96.5 | -30.6 | 0 | 0 | 0 | 111.5 | N461 | N459-N461 PolarHBondContact O-N 3.19Š| ||
| 460 | A | 36.6 | Very low | 35.3 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -74.1 | -5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 461 | N | 31.6 | Very low | 34.4 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -134.5 | 70.4 | -174.5 | -78.6 | -37.1 | 0 | 0 | 0 | 112.3 | N459 | N459-N461 PolarHBondContact O-N 3.19Š|
| 462 | Q | 29 | Very low | 33.9 | Very low | 169 Ų | 169 | 116.7 Ų | 116.7 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -154.5 | 149.4 | 154.8 | -115.7 | 150.7 | 88.6 | 0 | 0 | 111.7 | ||
| 463 | T | 29.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | -68.3 | 144 | -161.3 | 39 | 0 | 0 | 0 | 0 | 114 | N465 | T463-N465 PolarHBondContact O-N 3.46Š| ||
| 464 | P | 36.2 | Very low | 34 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -77.5 | 87.7 | -175.6 | 32.1 | -35.3 | 0 | 0 | 0 | 111.2 | ||
| 465 | N | 27.5 | Very low | 34.7 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | trans | -161.9 | 19.3 | 160.9 | -108.8 | -14.8 | 0 | 0 | 0 | 115.6 | T463 | T463-N465 PolarHBondContact O-N 3.46Š| ||
| 466 | Q | 25.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | trans | -122.9 | 110.1 | 165.6 | -71.5 | -174 | -6.3 | 0 | 0 | 109.2 | V468 | Q466-V468 PolarHBondContact O-N 3.37Š| ||
| 467 | T | 27.7 | Very low | 37.4 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | trans | -66.8 | 95.7 | 172.7 | 45.2 | 0 | 0 | 0 | 0 | 109 | H469 | T467-H469 PolarHBondContact O-N 2.95Å; T467-H469 VanDerWaalsContact O-N 3.12Å | ||
| 468 | V | 27.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 76% | 0.764 | 65% | 0.653 | S | S | * | * | trans | -57.5 | 116.8 | 169.2 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | Q466 V470 | Q466-V468 PolarHBondContact O-N 3.37Å; V468-V470 VanDerWaalsContact C-N 3.26Å; V468-V470 PolarHBondContact O-N 3.29Å | ||
| 469 | H | 25.8 | Very low | 41.4 | Very low | 173 Ų | 173 | 109.5 Ų | 109.5 | 80% | 0.801 | 62% | 0.621 | S | S | * | * | trans | -76 | 78.7 | -175.4 | -134.8 | -62.7 | 0 | 0 | 0 | 109.3 | T467 G471 | T467-H469 PolarHBondContact O-N 2.95Å; T467-H469 VanDerWaalsContact O-N 3.12Å; H469-G471 PolarHBondContact O-N 2.88Å | ||
| 470 | V | 34 | Very low | 43.4 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 65% | 0.648 | 59% | 0.59 | S | S | * | * | trans | -62.1 | 119.6 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | V468 | V468-V470 VanDerWaalsContact C-N 3.26Å; V468-V470 PolarHBondContact O-N 3.29Å | ||
| 471 | G | 33.7 | Very low | 44.9 | Very low | 35 Ų | 35 | 106 Ų | 106 | 36% | 0.361 | 58% | 0.58 | S | S | . | * | S | Bend | trans | 56.8 | 113.3 | 165 | 0 | 0 | 0 | 0 | 0 | 116.5 | H469 | H469-G471 PolarHBondContact O-N 2.88Š|
| 472 | G | 34.2 | Very low | 46.3 | Very low | 51 Ų | 51 | 100.5 Ų | 100.5 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | trans | -56.7 | 142.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | N474 Q475 | G472-N474 PolarHBondContact O-N 3.34Å; G472-Q475 PolarHBondContact O-N 3.43Å; G472-Q475 VanDerWaalsContact O-N 3.16Å | ||
| 473 | I | 41.5 | Very low | 47.9 | Very low | 169 Ų | 169 | 93 Ų | 93 | 87% | 0.867 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -11.1 | -166.2 | -67.9 | 168.7 | 0 | 0 | 0 | 116.2 | ||
| 474 | N | 49.9 | Very low | 49.9 | Very low | 153 Ų | 153 | 90.4 Ų | 90.4 | 82% | 0.818 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 14.7 | -173.7 | -64.5 | -12.1 | 0 | 0 | 0 | 115.3 | G472 | G472-N474 PolarHBondContact O-N 3.34Š|
| 475 | Q | 55.1 | Low | 51.7 | Low | 132 Ų | 132 | 84.6 Ų | 84.6 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | trans | -99.3 | 111.9 | 176 | -79.8 | -177.8 | -39.3 | 0 | 0 | 112.5 | G472 | G472-Q475 PolarHBondContact O-N 3.43Å; G472-Q475 VanDerWaalsContact O-N 3.16Å | ||
| 476 | S | 66.5 | Low | 53.8 | Low | 16 Ų | 16 | 78.3 Ų | 78.3 | 11% | 0.112 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140 | 169.6 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | I487 D586 | S476-I487 PolarHBondContact O-N 3.02Å; S476-D586 WeakPolarHBondContact CB-OD2 3.2Å; S476-D586 VanDerWaalsContact OG-CG 3.3Å; S476-D586 PolarHBondContact OG-OD2 3.42Å |
| 477 | M | 72.1 | Confident | 56.2 | Low | 32 Ų | 32 | 70.2 Ų | 70.2 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.4 | 178.8 | -59.7 | -159.8 | -68.2 | 0 | 0 | 112.6 | Y484 F485 A585 D586 | M477-Y484 HydrophobicContact CE-CD1 3.95Å; M477-Y484 HydrophobicContact CE-CG 4.25Å; M477-F485 WeakPolarHBondContact CA-O 3.5Å; M477-A585 PolarHBondContact O-N 2.91Å; M477-D586 PolarHBondContact O-N 3.43Å |
| 478 | L | 79.8 | Confident | 58.5 | Low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 157.8 | 158.2 | -55.5 | -178.5 | 0 | 0 | 0 | 109.7 | L446 Y484 F485 I487 L513 L580 S583 I589 | L446-L478 HydrophobicContact CD2-CD1 4Å; L478-Y484 CarbonylContact O-C 3.54Å; L478-Y484 WeakPolarHBondContact O-CA 3.32Å; L478-F485 HydrophobicContact CB-CB 4.32Å; L478-F485 PolarHBondContact N-O 3.47Å; L478-F485 PolarHBondContact O-N 3.11Å; L478-I487 HydrophobicContact CD1-CD1 3.56Å; L478-I487 HydrophobicContact CD2-CD1 4.14Å; L478-I487 HydrophobicContact CG-CD1 3.52Å; L478-I487 HydrophobicContact CG-CG1 4.21Å; L478-L513 HydrophobicContact CD1-CD2 4.25Å; L478-L580 HydrophobicContact CD1-CD2 3.99Å; L478-S583 CarbonylContact C-O 3.58Å; L478-S583 VanDerWaalsContact CA-O 3.23Å; L478-S583 WeakPolarHBondContact CA-O 3.26Å; L478-S583 WeakPolarHBondContact CB-O 3.45Å; L478-I589 HydrophobicContact CD2-CD1 3.9Å; L478-I589 HydrophobicContact CD2-CG2 3.96Å |
| 479 | Y | 72 | Confident | 60.6 | Low | 23 Ų | 23 | 64.5 Ų | 64.5 | 9% | 0.09 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.1 | 171.3 | 171.5 | -99.2 | 0 | 0 | 0 | 109 | G482 S483 Y484 S583 I660 R663 | Y479-G482 WeakPolarHBondContact OH-CA 3.3Å; Y479-S483 WeakPolarHBondContact CA-O 3.47Å; Y479-S483 WeakPolarHBondContact CD2-O 3.47Å; Y479-Y484 AromaticContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CD2 4.26Å; Y479-Y484 AromaticContact CD2-CE1 3.63Å; Y479-Y484 HydrophobicContact CD2-CE1 3.63Å; Y479-Y484 HydrophobicContact CD2-CE2 4.06Å; Y479-Y484 HydrophobicContact CD2-CG 4.16Å; Y479-Y484 AromaticContact CD2-CZ 3.74Å; Y479-Y484 HydrophobicContact CE2-CE2 4.41Å; Y479-Y484 HydrophobicContact CG-CD1 4.3Å; Y479-Y484 HydrophobicContact CG-CE1 4.01Å; Y479-S583 PolarHBondContact N-O 3.12Å; Y479-S583 VanDerWaalsContact O-CA 3.28Å; Y479-S583 WeakPolarHBondContact O-CA 3.33Å; Y479-S583 WeakPolarHBondContact O-CB 3.43Å; Y479-I660 HydrophobicContact CE1-CG2 4.45Å; Y479-R663 VanDerWaalsContact CZ-NH1 3.34Å; Y479-R663 PolarHBondContact OH-NH1 3.01Å |
| 480 | Y | 75.1 | Confident | 62.6 | Low | 24 Ų | 24 | 64.5 Ų | 64.5 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 133.2 | 179.6 | -172.3 | -104.7 | 0 | 0 | 0 | 111 | L446 G482 S483 L579 | L446-Y480 HydrophobicContact CB-CD1 3.86Å; L446-Y480 HydrophobicContact CB-CE1 4.28Å; L446-Y480 HydrophobicContact CB-CG 4.28Å; L446-Y480 WeakPolarHBondContact O-CD1 3.37Å; Y480-G482 PolarHBondContact O-N 3.48Å; Y480-S483 PolarHBondContact N-O 2.84Å; Y480-S483 PolarHBondContact O-N 2.83Å; Y480-L579 HydrophobicContact CD2-CD1 4.29Å; Y480-L579 HydrophobicContact CE2-CD1 3.64Å |
| 481 | K | 68.9 | Low | 63.9 | Low | 138 Ų | 138 | 60.1 Ų | 60.1 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 32.7 | 177.7 | -71 | -173.7 | 176.1 | 179.2 | 0 | 116.3 | ||
| 482 | G | 60.2 | Low | 65.3 | Low | 33 Ų | 33 | 65.9 Ų | 65.9 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -8.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y479 Y480 | Y479-G482 WeakPolarHBondContact OH-CA 3.3Å; Y480-G482 PolarHBondContact O-N 3.48Å |
| 483 | S | 63.2 | Low | 66.7 | Low | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146 | -178.8 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | Y479 Y480 | Y479-S483 WeakPolarHBondContact CA-O 3.47Å; Y479-S483 WeakPolarHBondContact CD2-O 3.47Å; Y480-S483 PolarHBondContact N-O 2.84Å; Y480-S483 PolarHBondContact O-N 2.83Å |
| 484 | Y | 70.3 | Confident | 68.3 | Low | 70 Ų | 70 | 59.2 Ų | 59.2 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 146 | 171.3 | -69.8 | -80.5 | 0 | 0 | 0 | 110 | D453 M477 L478 Y479 | D453-Y484 VanDerWaalsContact O-O 3.05Å; M477-Y484 HydrophobicContact CE-CD1 3.95Å; M477-Y484 HydrophobicContact CE-CG 4.25Å; L478-Y484 CarbonylContact O-C 3.54Å; L478-Y484 WeakPolarHBondContact O-CA 3.32Å; Y479-Y484 AromaticContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CD2 4.26Å; Y479-Y484 AromaticContact CD2-CE1 3.63Å; Y479-Y484 HydrophobicContact CD2-CE1 3.63Å; Y479-Y484 HydrophobicContact CD2-CE2 4.06Å; Y479-Y484 HydrophobicContact CD2-CG 4.16Å; Y479-Y484 AromaticContact CD2-CZ 3.74Å; Y479-Y484 HydrophobicContact CE2-CE2 4.41Å; Y479-Y484 HydrophobicContact CG-CD1 4.3Å; Y479-Y484 HydrophobicContact CG-CE1 4.01Å |
| 485 | F | 73.4 | Confident | 69.9 | Low | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.5 | 177.8 | -60.6 | -98.1 | 0 | 0 | 0 | 108.6 | S445 L446 P449 M477 L478 L513 | S445-F485 WeakPolarHBondContact O-CE1 3.28Å; L446-F485 HydrophobicContact CD2-CD1 4.42Å; L446-F485 HydrophobicContact CD2-CD2 3.78Å; L446-F485 HydrophobicContact CD2-CE1 4.49Å; L446-F485 HydrophobicContact CD2-CE2 3.9Å; L446-F485 HydrophobicContact CD2-CG 4.06Å; L446-F485 HydrophobicContact CD2-CZ 4.25Å; L446-F485 WeakPolarHBondContact O-CZ 3.44Å; P449-F485 HydrophobicContact CB-CE1 3.91Å; P449-F485 HydrophobicContact CB-CZ 3.99Å; M477-F485 WeakPolarHBondContact CA-O 3.5Å; L478-F485 HydrophobicContact CB-CB 4.32Å; L478-F485 PolarHBondContact N-O 3.47Å; L478-F485 PolarHBondContact O-N 3.11Å; F485-L513 HydrophobicContact CB-CD2 4Å; F485-L513 HydrophobicContact CD1-CD2 4.34Å; F485-L513 HydrophobicContact CG-CD2 4.38Å |
| 486 | P | 72.5 | Confident | 71.2 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.8 | 178 | 28 | -33.5 | 0 | 0 | 0 | 110.8 | D509 G510 | P486-D509 HydrophobicContact CG-CB 3.99Å; P486-G510 WeakPolarHBondContact O-CA 3.31Å |
| 487 | I | 77.1 | Confident | 71.9 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.3 | 173.8 | -68.9 | -160 | 0 | 0 | 0 | 110.5 | S476 L478 L489 L513 S514 L517 I589 | S476-I487 PolarHBondContact O-N 3.02Å; L478-I487 HydrophobicContact CD1-CD1 3.56Å; L478-I487 HydrophobicContact CD2-CD1 4.14Å; L478-I487 HydrophobicContact CG-CD1 3.52Å; L478-I487 HydrophobicContact CG-CG1 4.21Å; I487-L489 HydrophobicContact CG2-CD1 3.67Å; I487-L489 HydrophobicContact CG2-CG 4.11Å; I487-L513 HydrophobicContact CD1-CD2 4.42Å; I487-L513 HydrophobicContact CD1-CG 4.22Å; I487-S514 WeakPolarHBondContact CA-OG 3.3Å; I487-L517 HydrophobicContact CD1-CD2 3.94Å; I487-L517 HydrophobicContact CG2-CD2 4.16Å; I487-I589 HydrophobicContact CB-CD1 4.05Å; I487-I589 HydrophobicContact CD1-CD1 4.22Å; I487-I589 HydrophobicContact CG1-CD1 4.49Å; I487-I589 HydrophobicContact CG2-CD1 4.11Å |
| 488 | N | 76.3 | Confident | 72.3 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | trans | -115.6 | 96.9 | 174.8 | -174.8 | -8.6 | 0 | 0 | 0 | 110.6 | Q490 S491 S514 | N488-Q490 PolarHBondContact O-N 2.77Å; N488-Q490 WeakPolarHBondContact OD1-CB 3.42Å; N488-Q490 PolarHBondContact OD1-N 2.77Å; N488-S491 PolarHBondContact O-N 3.11Å; N488-S491 PolarHBondContact O-OG 3.18Å; N488-S514 PolarHBondContact N-OG 3.08Å | ||
| 489 | L | 70.5 | Confident | 72.1 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.7 | 179.9 | -66.7 | 92.1 | 0 | 0 | 0 | 113.9 | I487 I589 | I487-L489 HydrophobicContact CG2-CD1 3.67Å; I487-L489 HydrophobicContact CG2-CG 4.11Å; L489-I589 HydrophobicContact CD1-CD1 4.41Å; L489-I589 HydrophobicContact CD1-CG1 3.86Å |
| 490 | Q | 68.6 | Low | 72.1 | Confident | 173 Ų | 173 | 62 Ų | 62 | 81% | 0.808 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.3 | 178.2 | -60.6 | -171.6 | -2.5 | 0 | 0 | 113.2 | N488 K492 | N488-Q490 PolarHBondContact O-N 2.77Å; N488-Q490 WeakPolarHBondContact OD1-CB 3.42Å; N488-Q490 PolarHBondContact OD1-N 2.77Å; Q490-K492 PolarHBondContact O-N 3.03Å; Q490-K492 VanDerWaalsContact O-N 3.09Å |
| 491 | S | 61.9 | Low | 72 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | trans | -71.2 | 105.1 | -177.9 | 62.3 | 0 | 0 | 0 | 0 | 112 | N488 | N488-S491 PolarHBondContact O-N 3.11Å; N488-S491 PolarHBondContact O-OG 3.18Å | ||
| 492 | K | 62.2 | Low | 72.2 | Confident | 155 Ų | 155 | 68.1 Ų | 68.1 | 67% | 0.674 | 34% | 0.341 | S | S | * | . | trans | -113.5 | 121.9 | 172.7 | -66.3 | -174.5 | 179.8 | -176 | 0 | 110.5 | Q490 M494 | Q490-K492 PolarHBondContact O-N 3.03Å; Q490-K492 VanDerWaalsContact O-N 3.09Å; K492-M494 PolarHBondContact O-N 3.3Å; K492-M494 VanDerWaalsContact O-N 3.15Å | ||
| 493 | G | 64.5 | Low | 72.9 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | trans | 59.2 | 29.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | E402 L495 L496 E497 | E402-G493 VanDerWaalsContact OE2-C 3.26Å; E402-G493 WeakPolarHBondContact OE2-CA 3.35Å; G493-L495 VanDerWaalsContact C-N 3.29Å; G493-L495 PolarHBondContact O-N 3.11Å; G493-L496 PolarHBondContact O-N 3.46Å; G493-E497 PolarHBondContact O-N 3.06Å | ||
| 494 | M | 74.2 | Confident | 73.7 | Confident | 67 Ų | 67 | 76.1 Ų | 76.1 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | -171.5 | -169.9 | 178.7 | 71.4 | 0 | 0 | 113 | E402 K492 M498 P505 L507 Y511 | E402-M494 PolarHBondContact OE1-N 3.37Å; K492-M494 PolarHBondContact O-N 3.3Å; K492-M494 VanDerWaalsContact O-N 3.15Å; M494-M498 HydrophobicContact CG-SD 4.06Å; M494-M498 WeakPolarHBondContact O-CG 3.26Å; M494-P505 HydrophobicContact CE-CG 4.1Å; M494-L507 HydrophobicContact CE-CD2 3.55Å; M494-Y511 HydrophobicContact CB-CE2 4.29Å; M494-Y511 WeakPolarHBondContact CB-OH 3.35Å; M494-Y511 PolarHBondContact N-OH 3.43Å |
| 495 | L | 82.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -83.1 | -35.9 | -174.9 | -57.8 | 177.4 | 0 | 0 | 0 | 113 | F352 A398 L399 E402 G493 E497 M498 P505 L507 | F352-L495 HydrophobicContact CE2-CB 4.47Å; F352-L495 HydrophobicContact CE2-CD2 4.04Å; F352-L495 HydrophobicContact CZ-CB 4.43Å; F352-L495 HydrophobicContact CZ-CD2 3.98Å; A398-L495 HydrophobicContact CB-CD1 3.67Å; L399-L495 HydrophobicContact CB-CD1 3.93Å; L399-L495 HydrophobicContact CD1-CB 4.18Å; L399-L495 HydrophobicContact CG-CB 4.43Å; E402-L495 WeakPolarHBondContact OE1-CB 3.2Å; E402-L495 WeakPolarHBondContact OE1-CG 3.35Å; E402-L495 PolarHBondContact OE1-N 3.5Å; E402-L495 PolarHBondContact OE2-N 2.79Å; G493-L495 VanDerWaalsContact C-N 3.29Å; G493-L495 PolarHBondContact O-N 3.11Å; L495-E497 VanDerWaalsContact C-N 3.26Å; L495-E497 PolarHBondContact O-N 3.11Å; L495-M498 PolarHBondContact O-N 3.47Å; L495-P505 HydrophobicContact CD2-CG 3.44Å; L495-P505 VanDerWaalsContact CD2-CG 3.44Å; L495-L507 HydrophobicContact CD1-CD2 4.29Å; L495-L507 HydrophobicContact CD2-CD2 4.11Å; L495-L507 HydrophobicContact CG-CD2 4.4Å |
| 496 | L | 82.8 | Confident | 74.1 | Confident | 13 Ų | 13 | 82.3 Ų | 82.3 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.1 | -23.7 | 178.5 | -74.2 | 174.9 | 0 | 0 | 0 | 113.9 | R360 I363 E402 V403 K406 G493 | R360-L496 HydrophobicContact CG-CD2 3.83Å; R360-L496 PolarHBondContact NH1-O 2.98Å; I363-L496 HydrophobicContact CD1-CD1 3.72Å; I363-L496 HydrophobicContact CD1-CD2 4.16Å; E402-L496 HydrophobicContact CB-CD1 3.76Å; E402-L496 HydrophobicContact CB-CG 4.05Å; E402-L496 WeakPolarHBondContact OE2-CG 3.47Å; E402-L496 PolarHBondContact OE2-N 2.82Å; V403-L496 HydrophobicContact CG2-CD1 4.29Å; V403-L496 HydrophobicContact CG2-CD2 3.96Å; K406-L496 HydrophobicContact CG-CD1 4.1Å; G493-L496 PolarHBondContact O-N 3.46Å |
| 497 | E | 81.5 | Confident | 74.4 | Confident | 150 Ų | 150 | 81.6 Ų | 81.6 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -89.7 | -18.6 | 177.5 | -65.8 | -176.6 | -176.3 | 0 | 0 | 113.1 | G493 L495 L499 | G493-E497 PolarHBondContact O-N 3.06Å; L495-E497 VanDerWaalsContact C-N 3.26Å; L495-E497 PolarHBondContact O-N 3.11Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 3.33Å |
| 498 | M | 80.1 | Confident | 74.2 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 23% | 0.227 | 43% | 0.426 | C | S | . | . | trans | -79.5 | 66.3 | -177.8 | -76.8 | 176.6 | 70.3 | 0 | 0 | 113.5 | M494 L495 D500 R501 P505 | M494-M498 HydrophobicContact CG-SD 4.06Å; M494-M498 WeakPolarHBondContact O-CG 3.26Å; L495-M498 PolarHBondContact O-N 3.47Å; M498-D500 PolarHBondContact O-N 3.38Å; M498-R501 HydrophobicContact CE-CB 4.21Å; M498-R501 HydrophobicContact CE-CG 3.75Å; M498-P505 HydrophobicContact CE-CB 3.99Å; M498-P505 HydrophobicContact CE-CG 3.82Å; M498-P505 HydrophobicContact SD-CG 3.93Å | ||
| 499 | L | 77.2 | Confident | 73.7 | Confident | 47 Ų | 47 | 86 Ų | 86 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -24.9 | -176.8 | -60.6 | -172.1 | 0 | 0 | 0 | 115.2 | V356 E497 | V356-L499 HydrophobicContact CG1-CD2 3.92Å; E497-L499 VanDerWaalsContact C-N 3.29Å; E497-L499 PolarHBondContact O-N 3.33Å |
| 500 | D | 70.6 | Confident | 74 | Confident | 158 Ų | 158 | 84 Ų | 84 | 85% | 0.845 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 0.3 | -171.6 | -59.6 | -37.8 | 0 | 0 | 0 | 114.1 | M498 | M498-D500 PolarHBondContact O-N 3.38Š|
| 501 | R | 74.4 | Confident | 74.6 | Confident | 163 Ų | 163 | 76.4 Ų | 76.4 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | trans | -109.7 | 123.5 | -172 | -67.5 | -82.7 | -173.1 | 180 | 0.1 | 110.8 | F352 M498 | F352-R501 WeakPolarHBondContact CD1-O 3.3Å; F352-R501 HydrophobicContact CE1-CB 4.47Å; M498-R501 HydrophobicContact CE-CB 4.21Å; M498-R501 HydrophobicContact CE-CG 3.75Å | ||
| 502 | N | 71.5 | Confident | 75.7 | Confident | 128 Ų | 128 | 75.9 Ų | 75.9 | 68% | 0.684 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -82.7 | -21.8 | 177.3 | -70.3 | -18.6 | 0 | 0 | 0 | 113.7 | ||
| 503 | E | 75.8 | Confident | 76.8 | Confident | 161 Ų | 161 | 69 Ų | 69 | 75% | 0.752 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -110.7 | 142.9 | -179.7 | -64.1 | -174.2 | 151.6 | 0 | 0 | 110.5 | ||
| 504 | P | 79.3 | Confident | 77.7 | Confident | 53 Ų | 53 | 68.4 Ų | 68.4 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 138.2 | 179.4 | 29 | -33.3 | 0 | 0 | 0 | 110.6 | F352 W395 | F352-P504 HydrophobicContact CB-CB 4.26Å; F352-P504 HydrophobicContact CB-CG 4.49Å; F352-P504 HydrophobicContact CD2-CB 3.7Å; F352-P504 HydrophobicContact CE2-CB 4.2Å; F352-P504 HydrophobicContact CG-CB 3.93Å; W395-P504 HydrophobicContact CB-CB 4.21Å; W395-P504 HydrophobicContact CD2-CB 4.18Å; W395-P504 HydrophobicContact CG-CB 3.86Å; W395-P504 HydrophobicContact CG-CG 4.39Å |
| 505 | P | 78.9 | Confident | 78.3 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 157.4 | 174.3 | 30.3 | -35.6 | 0 | 0 | 0 | 111.8 | M494 L495 M498 L507 | M494-P505 HydrophobicContact CE-CG 4.1Å; L495-P505 HydrophobicContact CD2-CG 3.44Å; L495-P505 VanDerWaalsContact CD2-CG 3.44Å; M498-P505 HydrophobicContact CE-CB 3.99Å; M498-P505 HydrophobicContact CE-CG 3.82Å; M498-P505 HydrophobicContact SD-CG 3.93Å; P505-L507 PolarHBondContact O-N 3.46Å |
| 506 | I | 74.6 | Confident | 78.6 | Confident | 169 Ų | 169 | 65.3 Ų | 65.3 | 87% | 0.867 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 118.6 | 164.1 | -57.4 | 173.1 | 0 | 0 | 0 | 106.9 | ||
| 507 | L | 77.6 | Confident | 78.8 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 142.4 | 178.7 | -70.5 | 174.3 | 0 | 0 | 0 | 110.3 | L394 W395 A398 M494 L495 P505 Y511 | L394-L507 HydrophobicContact CD2-CB 4.39Å; L394-L507 HydrophobicContact CD2-CD1 4.21Å; L394-L507 HydrophobicContact CG-CD1 4.03Å; W395-L507 HydrophobicContact CB-CD1 4.31Å; A398-L507 HydrophobicContact CB-CD1 3.59Å; M494-L507 HydrophobicContact CE-CD2 3.55Å; L495-L507 HydrophobicContact CD1-CD2 4.29Å; L495-L507 HydrophobicContact CD2-CD2 4.11Å; L495-L507 HydrophobicContact CG-CD2 4.4Å; P505-L507 PolarHBondContact O-N 3.46Å; L507-Y511 HydrophobicContact CD1-CD1 4.44Å; L507-Y511 HydrophobicContact CD2-CD1 3.96Å; L507-Y511 HydrophobicContact CD2-CE1 4.15Å; L507-Y511 HydrophobicContact CD2-CG 4.3Å |
| 508 | P | 73.2 | Confident | 79.1 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 146.5 | 169.3 | -21.4 | 32.8 | 0 | 0 | 0 | 111.7 | Y511 | P508-Y511 WeakPolarHBondContact O-CB 3.45Å; P508-Y511 PolarHBondContact O-N 2.64Å; P508-Y511 VanDerWaalsContact O-N 3.1Å |
| 509 | D | 66.5 | Low | 79.6 | Confident | 112 Ų | 112 | 57 Ų | 57 | 60% | 0.599 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 140.2 | 173.5 | -56.2 | -45.1 | 0 | 0 | 0 | 110.3 | P486 Y511 | P486-D509 HydrophobicContact CG-CB 3.99Å; D509-Y511 PolarHBondContact O-N 3.38Å |
| 510 | G | 75.7 | Confident | 80.2 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 3.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | P486 C512 L513 S514 | P486-G510 WeakPolarHBondContact O-CA 3.31Å; G510-C512 PolarHBondContact O-N 2.96Å; G510-L513 PolarHBondContact O-N 2.8Å; G510-S514 WeakPolarHBondContact O-CB 3.37Å; G510-S514 PolarHBondContact O-N 3.21Å; G510-S514 PolarHBondContact O-OG 2.95Å |
| 511 | Y | 81.9 | Confident | 81.1 | Confident | 12 Ų | 12 | 51 Ų | 51 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.3 | -50.5 | -179.3 | -177.5 | -95.9 | 0 | 0 | 0 | 113 | A398 E402 M494 L507 P508 D509 L513 S514 L515 | A398-Y511 HydrophobicContact CB-CD1 4.09Å; A398-Y511 HydrophobicContact CB-CE1 4.06Å; E402-Y511 PolarHBondContact OE1-OH 3Å; M494-Y511 HydrophobicContact CB-CE2 4.29Å; M494-Y511 WeakPolarHBondContact CB-OH 3.35Å; M494-Y511 PolarHBondContact N-OH 3.43Å; L507-Y511 HydrophobicContact CD1-CD1 4.44Å; L507-Y511 HydrophobicContact CD2-CD1 3.96Å; L507-Y511 HydrophobicContact CD2-CE1 4.15Å; L507-Y511 HydrophobicContact CD2-CG 4.3Å; P508-Y511 WeakPolarHBondContact O-CB 3.45Å; P508-Y511 PolarHBondContact O-N 2.64Å; P508-Y511 VanDerWaalsContact O-N 3.1Å; D509-Y511 PolarHBondContact O-N 3.38Å; Y511-L513 PolarHBondContact O-N 3.42Å; Y511-S514 WeakPolarHBondContact O-CB 3.46Å; Y511-S514 PolarHBondContact O-N 3.45Å; Y511-L515 HydrophobicContact CE1-CD2 4.12Å; Y511-L515 WeakPolarHBondContact O-CB 3.5Å; Y511-L515 PolarHBondContact O-N 3.05Å |
| 512 | C | 84.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.4 | -34.4 | -178.3 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | L401 Y441 G510 L515 A516 | L401-C512 HydrophobicContact CD1-CB 4.01Å; L401-C512 WeakPolarHBondContact CD1-O 3.43Å; Y441-C512 HydrophobicContact CE1-CB 4.02Å; Y441-C512 WeakPolarHBondContact OH-CB 3.43Å; G510-C512 PolarHBondContact O-N 2.96Å; C512-L515 PolarHBondContact O-N 3.36Å; C512-A516 WeakPolarHBondContact O-CB 3.47Å; C512-A516 PolarHBondContact O-N 3.33Å |
| 513 | L | 84.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 175.6 | -178.3 | 60.4 | 0 | 0 | 0 | 110.8 | I442 L446 L478 F485 I487 G510 Y511 L515 A516 L517 | I442-L513 HydrophobicContact CB-CD1 4.43Å; I442-L513 HydrophobicContact CG1-CD1 4.14Å; I442-L513 HydrophobicContact CG2-CD1 4.29Å; L446-L513 HydrophobicContact CD2-CD2 4.22Å; L478-L513 HydrophobicContact CD1-CD2 4.25Å; F485-L513 HydrophobicContact CB-CD2 4Å; F485-L513 HydrophobicContact CD1-CD2 4.34Å; F485-L513 HydrophobicContact CG-CD2 4.38Å; I487-L513 HydrophobicContact CD1-CD2 4.42Å; I487-L513 HydrophobicContact CD1-CG 4.22Å; G510-L513 PolarHBondContact O-N 2.8Å; Y511-L513 PolarHBondContact O-N 3.42Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 2.96Å; L513-A516 PolarHBondContact O-N 3.07Å; L513-L517 WeakPolarHBondContact O-CB 3.37Å; L513-L517 PolarHBondContact O-N 3.41Å |
| 514 | S | 84.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 172.2 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | I487 N488 G510 Y511 L517 L518 | I487-S514 WeakPolarHBondContact CA-OG 3.3Å; N488-S514 PolarHBondContact N-OG 3.08Å; G510-S514 WeakPolarHBondContact O-CB 3.37Å; G510-S514 PolarHBondContact O-N 3.21Å; G510-S514 PolarHBondContact O-OG 2.95Å; Y511-S514 WeakPolarHBondContact O-CB 3.46Å; Y511-S514 PolarHBondContact O-N 3.45Å; S514-L517 WeakPolarHBondContact O-CB 3.2Å; S514-L517 PolarHBondContact O-N 2.95Å; S514-L518 VanDerWaalsContact O-CG 3.3Å; S514-L518 WeakPolarHBondContact O-CG 3.39Å; S514-L518 PolarHBondContact O-N 3.43Å |
| 515 | L | 86.4 | Confident | 84.1 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.3 | -34.5 | -178.5 | -167.8 | 60.9 | 0 | 0 | 0 | 113 | L401 E402 F405 Y511 C512 L513 L518 C519 | L401-L515 HydrophobicContact CB-CD2 3.54Å; L401-L515 HydrophobicContact CB-CG 3.89Å; E402-L515 HydrophobicContact CB-CD2 4.32Å; E402-L515 HydrophobicContact CG-CD2 3.49Å; E402-L515 VanDerWaalsContact CG-CD2 3.49Å; F405-L515 HydrophobicContact CB-CD1 4.43Å; F405-L515 HydrophobicContact CD2-CD1 4.42Å; F405-L515 HydrophobicContact CG-CD1 4.42Å; Y511-L515 HydrophobicContact CE1-CD2 4.12Å; Y511-L515 WeakPolarHBondContact O-CB 3.5Å; Y511-L515 PolarHBondContact O-N 3.05Å; C512-L515 PolarHBondContact O-N 3.36Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 PolarHBondContact O-N 2.96Å; L515-L518 PolarHBondContact O-N 3.37Å; L515-C519 PolarHBondContact O-N 3.09Å; L515-C519 PolarHBondContact O-SG 2.95Å |
| 516 | A | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -40.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L401 Y441 I442 C512 L513 C519 L520 | L401-A516 HydrophobicContact CD1-CB 4.4Å; L401-A516 HydrophobicContact CD2-CB 4.32Å; Y441-A516 HydrophobicContact CD1-CB 3.74Å; Y441-A516 HydrophobicContact CE1-CB 4.19Å; I442-A516 HydrophobicContact CD1-CB 4.11Å; I442-A516 HydrophobicContact CG1-CB 3.85Å; C512-A516 WeakPolarHBondContact O-CB 3.47Å; C512-A516 PolarHBondContact O-N 3.33Å; L513-A516 PolarHBondContact O-N 3.07Å; A516-C519 WeakPolarHBondContact O-CB 3.47Å; A516-C519 PolarHBondContact O-N 3.39Å; A516-L520 PolarHBondContact O-N 2.81Å |
| 517 | L | 87.7 | Confident | 85.3 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 170.8 | 172.8 | 65.6 | 0 | 0 | 0 | 111.5 | I487 L513 S514 L520 R521 L580 I589 L593 | I487-L517 HydrophobicContact CD1-CD2 3.94Å; I487-L517 HydrophobicContact CG2-CD2 4.16Å; L513-L517 WeakPolarHBondContact O-CB 3.37Å; L513-L517 PolarHBondContact O-N 3.41Å; S514-L517 WeakPolarHBondContact O-CB 3.2Å; S514-L517 PolarHBondContact O-N 2.95Å; L517-L520 PolarHBondContact O-N 3.25Å; L517-R521 PolarHBondContact O-N 3.02Å; L517-L580 HydrophobicContact CD1-CD1 3.66Å; L517-L580 HydrophobicContact CD1-CD2 4.19Å; L517-L580 HydrophobicContact CD1-CG 4.47Å; L517-I589 HydrophobicContact CD2-CG2 4.49Å; L517-L593 HydrophobicContact CD1-CD2 3.88Å |
| 518 | L | 87.5 | Confident | 86 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 13% | 0.131 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 175.6 | -72.8 | 172.1 | 0 | 0 | 0 | 112.3 | F405 S514 L515 K522 | F405-L518 HydrophobicContact CD2-CB 4.23Å; F405-L518 HydrophobicContact CE2-CB 3.94Å; S514-L518 VanDerWaalsContact O-CG 3.3Å; S514-L518 WeakPolarHBondContact O-CG 3.39Å; S514-L518 PolarHBondContact O-N 3.43Å; L515-L518 PolarHBondContact O-N 3.37Å; L518-K522 WeakPolarHBondContact O-CB 3.47Å; L518-K522 WeakPolarHBondContact O-CG 3.42Å; L518-K522 PolarHBondContact O-N 2.93Å |
| 519 | C | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 172.8 | -70.3 | 0 | 0 | 0 | 0 | 112 | F438 L515 A516 K522 T523 | F438-C519 HydrophobicContact CD1-CB 4.27Å; F438-C519 HydrophobicContact CD2-CB 4.16Å; F438-C519 HydrophobicContact CE1-CB 3.87Å; F438-C519 HydrophobicContact CE2-CB 3.75Å; F438-C519 HydrophobicContact CG-CB 4.41Å; F438-C519 HydrophobicContact CZ-CB 3.58Å; L515-C519 PolarHBondContact O-N 3.09Å; L515-C519 PolarHBondContact O-SG 2.95Å; A516-C519 WeakPolarHBondContact O-CB 3.47Å; A516-C519 PolarHBondContact O-N 3.39Å; C519-K522 PolarHBondContact O-N 3.1Å; C519-T523 PolarHBondContact O-N 3.36Å; C519-T523 PolarHBondContact O-OG1 3.45Å |
| 520 | L | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 179.2 | -177.8 | 68.5 | 0 | 0 | 0 | 111.2 | L435 A516 L517 K522 T523 V524 I573 T576 L577 L580 | L435-L520 HydrophobicContact CD2-CD1 4.34Å; A516-L520 PolarHBondContact O-N 2.81Å; L517-L520 PolarHBondContact O-N 3.25Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.2Å; L520-T523 WeakPolarHBondContact O-CB 3.42Å; L520-T523 PolarHBondContact O-N 2.96Å; L520-T523 VanDerWaalsContact O-N 3.11Å; L520-V524 PolarHBondContact O-N 2.97Å; L520-V524 VanDerWaalsContact O-N 3.16Å; L520-I573 HydrophobicContact CD1-CG1 4.15Å; L520-T576 HydrophobicContact CD2-CG2 3.61Å; L520-L577 HydrophobicContact CD2-CD2 3.79Å; L520-L577 HydrophobicContact CD2-CG 4.14Å; L520-L577 HydrophobicContact CG-CD2 4.48Å; L520-L580 HydrophobicContact CD2-CD1 3.64Å |
| 521 | R | 90.1 | Very high | 88.1 | Confident | 81 Ų | 81 | 19 Ų | 19 | 31% | 0.306 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 177.4 | -175.5 | 164.8 | 177.2 | -104.2 | 1.8 | 112 | L517 T523 V524 D525 | L517-R521 PolarHBondContact O-N 3.02Å; R521-T523 VanDerWaalsContact C-N 3.33Å; R521-V524 PolarHBondContact O-N 3.33Å; R521-D525 PolarHBondContact O-N 3.2Å |
| 522 | K | 90.7 | Very high | 88.3 | Confident | 65 Ų | 65 | 21.1 Ų | 21.1 | 28% | 0.283 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -69.1 | -27.8 | 173.3 | -77.9 | -46.9 | -166.5 | -177.8 | 0 | 114.2 | F405 V408 L518 C519 L520 V524 D525 S526 | F405-K522 HydrophobicContact CD2-CG 4.31Å; F405-K522 HydrophobicContact CE2-CB 4.2Å; F405-K522 HydrophobicContact CE2-CG 3.47Å; F405-K522 VanDerWaalsContact CE2-CG 3.47Å; F405-K522 HydrophobicContact CZ-CG 3.87Å; V408-K522 HydrophobicContact CG1-CB 3.99Å; L518-K522 WeakPolarHBondContact O-CB 3.47Å; L518-K522 WeakPolarHBondContact O-CG 3.42Å; L518-K522 PolarHBondContact O-N 2.93Å; C519-K522 PolarHBondContact O-N 3.1Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 3.2Å; K522-V524 VanDerWaalsContact C-N 3.35Å; K522-D525 HydrophobicContact CD-CB 4.13Å; K522-D525 VanDerWaalsContact CD-OD2 3.26Å; K522-D525 WeakPolarHBondContact CD-OD2 3.45Å; K522-D525 WeakPolarHBondContact CE-OD2 3.41Å; K522-D525 IonicContact NZ-OD2 3.94Å; K522-D525 PolarHBondContact NZ-OD2 3.01Å; K522-D525 PolarHBondContact O-N 3.44Å; K522-S526 WeakPolarHBondContact O-CB 3.12Å; K522-S526 PolarHBondContact O-N 3.37Å; K522-S526 PolarHBondContact O-OG 3.29Å |
| 523 | T | 90.3 | Very high | 88 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 171.8 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | V408 F431 L435 C519 L520 R521 S526 L527 | V408-T523 HydrophobicContact CG1-CG2 4.5Å; V408-T523 VanDerWaalsContact CG1-N 3.32Å; V408-T523 VanDerWaalsContact CG1-OG1 3.3Å; V408-T523 WeakPolarHBondContact CG1-OG1 3.3Å; F431-T523 HydrophobicContact CE2-CG2 3.67Å; F431-T523 HydrophobicContact CZ-CG2 3.54Å; L435-T523 HydrophobicContact CD2-CG2 3.73Å; L435-T523 HydrophobicContact CG-CG2 4.41Å; C519-T523 PolarHBondContact O-N 3.36Å; C519-T523 PolarHBondContact O-OG1 3.45Å; L520-T523 WeakPolarHBondContact O-CB 3.42Å; L520-T523 PolarHBondContact O-N 2.96Å; L520-T523 VanDerWaalsContact O-N 3.11Å; R521-T523 VanDerWaalsContact C-N 3.33Å; T523-S526 PolarHBondContact O-N 3.46Å; T523-L527 HydrophobicContact CG2-CD1 4.41Å; T523-L527 WeakPolarHBondContact O-CB 3.01Å; T523-L527 VanDerWaalsContact O-CG 3.26Å; T523-L527 WeakPolarHBondContact O-CG 3.42Å; T523-L527 PolarHBondContact O-N 2.88Å |
| 524 | V | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 175 | 177 | 0 | 0 | 0 | 0 | 111.9 | L520 R521 K522 S526 L527 K528 I573 I599 M600 | L520-V524 PolarHBondContact O-N 2.97Å; L520-V524 VanDerWaalsContact O-N 3.16Å; R521-V524 PolarHBondContact O-N 3.33Å; K522-V524 VanDerWaalsContact C-N 3.35Å; V524-S526 VanDerWaalsContact C-N 3.34Å; V524-S526 PolarHBondContact O-N 3.21Å; V524-L527 PolarHBondContact O-N 2.95Å; V524-K528 PolarHBondContact O-N 3.34Å; V524-I573 HydrophobicContact CG2-CD1 4.38Å; V524-I573 HydrophobicContact CG2-CG2 3.99Å; V524-I599 HydrophobicContact CG1-CB 3.75Å; V524-I599 HydrophobicContact CG1-CD1 4.39Å; V524-I599 HydrophobicContact CG1-CG2 3.49Å; V524-I599 VanDerWaalsContact CG1-CG2 3.49Å; V524-M600 HydrophobicContact CG1-CG 4.03Å; V524-M600 HydrophobicContact CG1-SD 4.05Å; V524-M600 HydrophobicContact CG2-CG 4.14Å; V524-M600 HydrophobicContact CG2-SD 4.05Å |
| 525 | D | 91.2 | Very high | 86.7 | Confident | 37 Ų | 37 | 25.3 Ų | 25.3 | 20% | 0.198 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 173.3 | -75.2 | -9.3 | 0 | 0 | 0 | 111.6 | R521 K522 K528 V529 | R521-D525 PolarHBondContact O-N 3.2Å; K522-D525 HydrophobicContact CD-CB 4.13Å; K522-D525 VanDerWaalsContact CD-OD2 3.26Å; K522-D525 WeakPolarHBondContact CD-OD2 3.45Å; K522-D525 WeakPolarHBondContact CE-OD2 3.41Å; K522-D525 IonicContact NZ-OD2 3.94Å; K522-D525 PolarHBondContact NZ-OD2 3.01Å; K522-D525 PolarHBondContact O-N 3.44Å; D525-K528 WeakPolarHBondContact O-CB 3.33Å; D525-K528 PolarHBondContact O-N 2.89Å; D525-V529 PolarHBondContact O-N 3.3Å |
| 526 | S | 89.1 | Confident | 85.1 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.4 | -38.3 | -178.7 | -70.8 | 0 | 0 | 0 | 0 | 112.7 | V408 K522 T523 V524 K528 V529 I530 | V408-S526 WeakPolarHBondContact O-CB 3.47Å; V408-S526 PolarHBondContact O-OG 3.42Å; K522-S526 WeakPolarHBondContact O-CB 3.12Å; K522-S526 PolarHBondContact O-N 3.37Å; K522-S526 PolarHBondContact O-OG 3.29Å; T523-S526 PolarHBondContact O-N 3.46Å; V524-S526 VanDerWaalsContact C-N 3.34Å; V524-S526 PolarHBondContact O-N 3.21Å; S526-K528 PolarHBondContact O-N 2.89Å; S526-V529 PolarHBondContact O-N 3.06Å; S526-V529 VanDerWaalsContact O-N 3.17Å; S526-I530 WeakPolarHBondContact O-CD1 3.39Å; S526-I530 VanDerWaalsContact O-CG1 3.22Å; S526-I530 WeakPolarHBondContact O-CG1 3.19Å; S526-I530 PolarHBondContact O-N 3.35Å |
| 527 | L | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.1 | -40.9 | 170.1 | -73.6 | 172.7 | 0 | 0 | 0 | 111 | F431 T523 V524 V529 I530 I531 I565 I573 M600 L603 | F431-L527 HydrophobicContact CE1-CD2 4.22Å; F431-L527 HydrophobicContact CZ-CD2 4.05Å; F431-L527 HydrophobicContact CZ-CG 4.44Å; T523-L527 HydrophobicContact CG2-CD1 4.41Å; T523-L527 WeakPolarHBondContact O-CB 3.01Å; T523-L527 VanDerWaalsContact O-CG 3.26Å; T523-L527 WeakPolarHBondContact O-CG 3.42Å; T523-L527 PolarHBondContact O-N 2.88Å; V524-L527 PolarHBondContact O-N 2.95Å; L527-V529 PolarHBondContact O-N 3.38Å; L527-I530 PolarHBondContact O-N 3.3Å; L527-I531 HydrophobicContact CB-CD1 4.48Å; L527-I531 WeakPolarHBondContact O-CB 3.43Å; L527-I531 WeakPolarHBondContact O-CD1 3.48Å; L527-I531 WeakPolarHBondContact O-CG1 3.23Å; L527-I531 PolarHBondContact O-N 2.73Å; L527-I565 HydrophobicContact CD2-CD1 3.57Å; L527-I565 HydrophobicContact CD2-CG1 3.68Å; L527-I565 HydrophobicContact CD2-CG2 4.46Å; L527-I573 HydrophobicContact CD1-CD1 3.79Å; L527-M600 HydrophobicContact CD1-SD 4.26Å; L527-L603 HydrophobicContact CB-CD1 4.09Å |
| 528 | K | 91 | Very high | 81.5 | Confident | 65 Ų | 65 | 42 Ų | 42 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 175.5 | -176.7 | 172.8 | 176.9 | 131.8 | 0 | 112.6 | V524 D525 S526 N532 I599 E602 L603 | V524-K528 PolarHBondContact O-N 3.34Å; D525-K528 WeakPolarHBondContact O-CB 3.33Å; D525-K528 PolarHBondContact O-N 2.89Å; S526-K528 PolarHBondContact O-N 2.89Å; K528-N532 WeakPolarHBondContact CG-ND2 3.4Å; K528-N532 VanDerWaalsContact O-CB 3.28Å; K528-N532 WeakPolarHBondContact O-CB 3.2Å; K528-N532 VanDerWaalsContact O-CG 3.32Å; K528-N532 PolarHBondContact O-N 2.63Å; K528-N532 PolarHBondContact O-ND2 3.45Å; K528-N532 VanDerWaalsContact O-ND2 3.11Å; K528-I599 HydrophobicContact CB-CG2 3.8Å; K528-I599 HydrophobicContact CD-CD1 4.14Å; K528-I599 HydrophobicContact CD-CG1 4.04Å; K528-I599 HydrophobicContact CD-CG2 3.91Å; K528-I599 HydrophobicContact CG-CG2 4.23Å; K528-E602 IonicContact NZ-OE1 2.71Å; K528-E602 IonicContact NZ-OE2 2.66Å; K528-E602 PolarHBondContact NZ-OE2 3.39Å; K528-L603 HydrophobicContact CB-CD1 4.1Å; K528-L603 HydrophobicContact CB-CD2 4.4Å; K528-L603 HydrophobicContact CG-CD2 4.46Å |
| 529 | V | 89.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 47% | 0.473 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68 | -46.7 | 178 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | P411 D525 S526 L527 I531 A533 | P411-V529 HydrophobicContact CB-CB 3.96Å; P411-V529 HydrophobicContact CB-CG1 3.93Å; P411-V529 HydrophobicContact CG-CB 4.13Å; P411-V529 HydrophobicContact CG-CG1 3.73Å; D525-V529 PolarHBondContact O-N 3.3Å; S526-V529 PolarHBondContact O-N 3.06Å; S526-V529 VanDerWaalsContact O-N 3.17Å; L527-V529 PolarHBondContact O-N 3.38Å; V529-I531 PolarHBondContact O-N 2.99Å; V529-A533 VanDerWaalsContact O-CB 3.28Å; V529-A533 WeakPolarHBondContact O-CB 3.35Å; V529-A533 PolarHBondContact O-N 3.16Å |
| 530 | I | 85.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | -178.8 | -66.2 | 162.6 | 0 | 0 | 0 | 111.4 | P411 V414 K415 S526 L527 A533 N534 F561 I565 | P411-I530 HydrophobicContact CB-CD1 4.34Å; P411-I530 HydrophobicContact CB-CG1 3.71Å; P411-I530 VanDerWaalsContact O-CD1 3.28Å; P411-I530 WeakPolarHBondContact O-CD1 3.4Å; P411-I530 VanDerWaalsContact O-CG1 3.31Å; P411-I530 WeakPolarHBondContact O-CG1 3.49Å; V414-I530 HydrophobicContact CB-CD1 3.86Å; V414-I530 HydrophobicContact CG1-CD1 3.67Å; K415-I530 HydrophobicContact CB-CD1 4.35Å; K415-I530 HydrophobicContact CB-CG1 4.3Å; K415-I530 HydrophobicContact CB-CG2 4.19Å; K415-I530 HydrophobicContact CD-CG2 4.46Å; K415-I530 HydrophobicContact CG-CG2 4.47Å; S526-I530 WeakPolarHBondContact O-CD1 3.39Å; S526-I530 VanDerWaalsContact O-CG1 3.22Å; S526-I530 WeakPolarHBondContact O-CG1 3.19Å; S526-I530 PolarHBondContact O-N 3.35Å; L527-I530 PolarHBondContact O-N 3.3Å; I530-A533 PolarHBondContact O-N 3.02Å; I530-N534 VanDerWaalsContact O-CG 3.23Å; I530-N534 PolarHBondContact O-N 2.86Å; I530-N534 VanDerWaalsContact O-N 3.13Å; I530-N534 PolarHBondContact O-ND2 3.37Å; I530-F561 HydrophobicContact CG2-CE1 3.87Å; I530-F561 HydrophobicContact CG2-CZ 4.37Å; I530-I565 HydrophobicContact CD1-CD1 4.28Å |
| 531 | I | 85.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.4 | -43.4 | -174 | -67 | 161.2 | 0 | 0 | 0 | 110.5 | L527 V529 A533 N534 V535 C562 V566 L603 L607 | L527-I531 HydrophobicContact CB-CD1 4.48Å; L527-I531 WeakPolarHBondContact O-CB 3.43Å; L527-I531 WeakPolarHBondContact O-CD1 3.48Å; L527-I531 WeakPolarHBondContact O-CG1 3.23Å; L527-I531 PolarHBondContact O-N 2.73Å; V529-I531 PolarHBondContact O-N 2.99Å; I531-A533 VanDerWaalsContact C-N 3.25Å; I531-A533 PolarHBondContact O-N 3.35Å; I531-N534 PolarHBondContact O-N 3.33Å; I531-V535 HydrophobicContact CG2-CG2 4.34Å; I531-V535 WeakPolarHBondContact O-CB 3.44Å; I531-V535 PolarHBondContact O-N 2.88Å; I531-C562 HydrophobicContact CG1-CB 4.36Å; I531-V566 HydrophobicContact CD1-CG2 3.39Å; I531-L603 HydrophobicContact CB-CD2 3.9Å; I531-L603 HydrophobicContact CD1-CB 4.07Å; I531-L603 HydrophobicContact CD1-CD1 4.16Å; I531-L603 HydrophobicContact CD1-CD2 3.98Å; I531-L603 HydrophobicContact CD1-CG 4.28Å; I531-L603 HydrophobicContact CG2-CD2 3.92Å; I531-L607 HydrophobicContact CD1-CD1 4Å; I531-L607 HydrophobicContact CG1-CD1 4.38Å; I531-L607 HydrophobicContact CG2-CD1 4.19Å; I531-L607 HydrophobicContact CG2-CD2 4.3Å; I531-L607 HydrophobicContact CG2-CG 4.28Å |
| 532 | N | 84.2 | Confident | 71.6 | Confident | 57 Ų | 57 | 61.1 Ų | 61.1 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.5 | -25.2 | 176.6 | -72.5 | -31.7 | 0 | 0 | 0 | 113 | K528 K606 | K528-N532 WeakPolarHBondContact CG-ND2 3.4Å; K528-N532 VanDerWaalsContact O-CB 3.28Å; K528-N532 WeakPolarHBondContact O-CB 3.2Å; K528-N532 VanDerWaalsContact O-CG 3.32Å; K528-N532 PolarHBondContact O-N 2.63Å; K528-N532 PolarHBondContact O-ND2 3.45Å; K528-N532 VanDerWaalsContact O-ND2 3.11Å; N532-K606 PolarHBondContact OD1-NZ 3.06Å |
| 533 | A | 79.4 | Confident | 68.9 | Low | 63 Ų | 63 | 65.3 Ų | 65.3 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -77 | -37.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V529 I530 I531 | V529-A533 VanDerWaalsContact O-CB 3.28Å; V529-A533 WeakPolarHBondContact O-CB 3.35Å; V529-A533 PolarHBondContact O-N 3.16Å; I530-A533 PolarHBondContact O-N 3.02Å; I531-A533 VanDerWaalsContact C-N 3.25Å; I531-A533 PolarHBondContact O-N 3.35Å |
| 534 | N | 71.6 | Confident | 66.2 | Low | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -87.5 | -21.4 | -178.1 | -64.4 | -23.7 | 0 | 0 | 0 | 113.6 | K415 I530 I531 P536 C562 | K415-N534 PolarHBondContact NZ-OD1 3.17Å; I530-N534 VanDerWaalsContact O-CG 3.23Å; I530-N534 PolarHBondContact O-N 2.86Å; I530-N534 VanDerWaalsContact O-N 3.13Å; I530-N534 PolarHBondContact O-ND2 3.37Å; I531-N534 PolarHBondContact O-N 3.33Å; N534-P536 VanDerWaalsContact O-CD 3.24Å; N534-P536 WeakPolarHBondContact O-CD 3.44Å; N534-C562 VanDerWaalsContact CB-SG 3.51Å; N534-C562 PolarHBondContact ND2-SG 2.97Å |
| 535 | V | 69.6 | Low | 63.6 | Low | 19 Ų | 19 | 80.4 Ų | 80.4 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | trans | -116.5 | 74.6 | -179.2 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | I531 E537 I538 C562 L607 | I531-V535 HydrophobicContact CG2-CG2 4.34Å; I531-V535 WeakPolarHBondContact O-CB 3.44Å; I531-V535 PolarHBondContact O-N 2.88Å; V535-E537 PolarHBondContact O-N 3.43Å; V535-I538 HydrophobicContact CG1-CD1 3.61Å; V535-I538 HydrophobicContact CG1-CG1 3.97Å; V535-C562 HydrophobicContact CG2-CB 4.27Å; V535-L607 HydrophobicContact CG2-CD2 4.17Å | ||
| 536 | P | 53.9 | Low | 61.1 | Low | 97 Ų | 97 | 82.5 Ų | 82.5 | 63% | 0.63 | 46% | 0.457 | S | S | * | . | trans | -65.1 | 124.5 | 166.9 | 28.5 | -32.8 | 0 | 0 | 0 | 109 | N534 I538 | N534-P536 VanDerWaalsContact O-CD 3.24Å; N534-P536 WeakPolarHBondContact O-CD 3.44Å; P536-I538 PolarHBondContact O-N 3.28Å; P536-I538 VanDerWaalsContact O-N 3.11Å | ||
| 537 | E | 50.1 | Low | 58.8 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 75% | 0.752 | 49% | 0.492 | S | S | * | . | trans | 7.2 | 82.9 | 170.9 | -65 | 174.9 | -178.9 | 0 | 0 | 116.5 | V535 I539 | V535-E537 PolarHBondContact O-N 3.43Å; E537-I539 PolarHBondContact O-N 2.96Å | ||
| 538 | I | 49.8 | Very low | 56.5 | Low | 102 Ų | 102 | 94.5 Ų | 94.5 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 1 | 168.5 | -68.2 | 178.4 | 0 | 0 | 0 | 112.1 | V535 P536 N540 I559 | V535-I538 HydrophobicContact CG1-CD1 3.61Å; V535-I538 HydrophobicContact CG1-CG1 3.97Å; P536-I538 PolarHBondContact O-N 3.28Å; P536-I538 VanDerWaalsContact O-N 3.11Å; I538-N540 PolarHBondContact O-N 2.98Å; I538-I559 HydrophobicContact CD1-CD1 3.72Å; I538-I559 HydrophobicContact CD1-CG1 4.21Å |
| 539 | I | 42.2 | Very low | 54.5 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 64% | 0.641 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.6 | -172.2 | -64.8 | 175.5 | 0 | 0 | 0 | 113.1 | E537 | E537-I539 PolarHBondContact O-N 2.96Š|
| 540 | N | 36.9 | Very low | 52.5 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -115.2 | 120.9 | -177.7 | -68.5 | -38.2 | 0 | 0 | 0 | 113.2 | I538 | I538-N540 PolarHBondContact O-N 2.98Š|
| 541 | H | 35.7 | Very low | 50.9 | Low | 167 Ų | 167 | 110.9 Ų | 110.9 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | trans | 74.8 | 86.4 | 166.9 | -52.1 | -67.7 | 0 | 0 | 0 | 118.3 | ||||
| 542 | S | 34.2 | Very low | 49.3 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | S | Bend | -60.9 | 155.5 | 123.4 | 52.9 | 0 | 0 | 0 | 0 | 110 | |||
| 543 | D | 34.2 | Very low | 48 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | trans | 72.6 | 67 | 178.8 | -51.7 | -24.3 | 0 | 0 | 0 | 116.7 | ||||
| 544 | D | 34.5 | Very low | 47.1 | Very low | 144 Ų | 144 | 117.9 Ų | 117.9 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | trans | -151.5 | 81.4 | 136.2 | -137.9 | -18.8 | 0 | 0 | 0 | 111.3 | S546 | D544-S546 PolarHBondContact O-N 2.73Š| ||
| 545 | D | 36.2 | Very low | 46.8 | Very low | 175 Ų | 175 | 123 Ų | 123 | 94% | 0.936 | 65% | 0.648 | S | S | * | * | trans | -82.6 | 52.2 | -172.1 | -140.7 | -2.3 | 0 | 0 | 0 | 112.1 | ||||
| 546 | S | 40.3 | Very low | 46.8 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | trans | -147.2 | 139.4 | 170.8 | 79 | 0 | 0 | 0 | 0 | 113.6 | D544 | D544-S546 PolarHBondContact O-N 2.73Š| ||
| 547 | I | 39.1 | Very low | 47.6 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 67.8 | 73.3 | 169.4 | -40.2 | 170.8 | 0 | 0 | 0 | 116.3 | ||
| 548 | N | 43.7 | Very low | 48.8 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 58% | 0.578 | 65% | 0.652 | S | S | * | * | trans | 177.6 | 72.5 | 130.4 | -90.6 | -27.7 | 0 | 0 | 0 | 113.6 | K550 | N548-K550 PolarHBondContact O-N 2.98Š| ||
| 549 | K | 47.3 | Very low | 50.2 | Low | 204 Ų | 204 | 123.9 Ų | 123.9 | 89% | 0.887 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -2.7 | -175.8 | -79.2 | -174.5 | 175.1 | 177.8 | 0 | 116.8 | ||
| 550 | K | 49.2 | Very low | 51.9 | Low | 187 Ų | 187 | 123.2 Ų | 123.2 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -29.2 | -179.9 | -83.1 | -173.4 | 173.5 | -178.7 | 0 | 115.1 | N548 T553 | N548-K550 PolarHBondContact O-N 2.98Å; K550-T553 PolarHBondContact O-OG1 3.38Å |
| 551 | D | 50.9 | Low | 54.1 | Low | 98 Ų | 98 | 118.2 Ų | 118.2 | 52% | 0.524 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88 | -25.3 | -177.8 | -65.7 | -21.2 | 0 | 0 | 0 | 112.8 | T553 S554 K555 | D551-T553 PolarHBondContact O-N 2.98Å; D551-S554 PolarHBondContact O-N 3.42Å; D551-K555 PolarHBondContact O-N 3.22Å |
| 552 | N | 52.7 | Low | 56.5 | Low | 102 Ų | 102 | 110.3 Ų | 110.3 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -23.6 | -179.2 | -76.7 | -1 | 0 | 0 | 0 | 113.8 | K556 | N552-K556 VanDerWaalsContact O-CB 3.29Å; N552-K556 WeakPolarHBondContact O-CB 3.48Å; N552-K556 PolarHBondContact O-N 2.94Å; N552-K556 VanDerWaalsContact O-N 3.16Å |
| 553 | T | 57.2 | Low | 58.9 | Low | 93 Ų | 93 | 109 Ų | 109 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.2 | -36.6 | 177.4 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | K550 D551 H557 | K550-T553 PolarHBondContact O-OG1 3.38Å; D551-T553 PolarHBondContact O-N 2.98Å; T553-H557 PolarHBondContact O-N 3.37Å |
| 554 | S | 59.2 | Low | 61.2 | Low | 71 Ų | 71 | 105.1 Ų | 105.1 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -56.1 | 175.6 | -166.8 | 0 | 0 | 0 | 0 | 110.3 | D551 K556 H557 D558 | D551-S554 PolarHBondContact O-N 3.42Å; S554-K556 PolarHBondContact O-N 2.95Å; S554-K556 VanDerWaalsContact O-N 3.13Å; S554-H557 WeakPolarHBondContact O-CA 3.27Å; S554-H557 WeakPolarHBondContact O-CB 3.42Å; S554-H557 PolarHBondContact O-N 3.44Å; S554-D558 PolarHBondContact O-N 3.5Å; S554-D558 VanDerWaalsContact O-OD2 3.07Å; S554-D558 PolarHBondContact OG-OD2 2.99Å |
| 555 | K | 65.2 | Low | 63.7 | Low | 132 Ų | 132 | 98.5 Ų | 98.5 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -53.9 | -39 | 180 | -66.2 | -175.3 | 177.8 | -177.2 | 0 | 112.4 | D551 D558 I559 | D551-K555 PolarHBondContact O-N 3.22Å; K555-D558 PolarHBondContact O-N 3.31Å; K555-I559 WeakPolarHBondContact O-CD1 3.35Å; K555-I559 VanDerWaalsContact O-CG1 3.29Å; K555-I559 WeakPolarHBondContact O-CG1 3.33Å; K555-I559 PolarHBondContact O-N 3.05Å |
| 556 | K | 69.5 | Low | 66.2 | Low | 159 Ų | 159 | 90.1 Ų | 90.1 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.8 | -38.9 | 176.3 | -171.5 | 174.7 | -173.1 | 177.7 | 0 | 112.7 | N552 S554 M560 | N552-K556 VanDerWaalsContact O-CB 3.29Å; N552-K556 WeakPolarHBondContact O-CB 3.48Å; N552-K556 PolarHBondContact O-N 2.94Å; N552-K556 VanDerWaalsContact O-N 3.16Å; S554-K556 PolarHBondContact O-N 2.95Å; S554-K556 VanDerWaalsContact O-N 3.13Å; K556-M560 VanDerWaalsContact O-CB 3.31Å; K556-M560 WeakPolarHBondContact O-CB 3.46Å; K556-M560 PolarHBondContact O-N 3.3Å |
| 557 | H | 71.6 | Confident | 68.3 | Low | 132 Ų | 132 | 88.4 Ų | 88.4 | 61% | 0.611 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 173.8 | -96.5 | -74.9 | 0 | 0 | 0 | 112.2 | T553 S554 M560 F561 | T553-H557 PolarHBondContact O-N 3.37Å; S554-H557 WeakPolarHBondContact O-CA 3.27Å; S554-H557 WeakPolarHBondContact O-CB 3.42Å; S554-H557 PolarHBondContact O-N 3.44Å; H557-M560 PolarHBondContact O-N 3.34Å; H557-F561 WeakPolarHBondContact O-CB 3.24Å; H557-F561 PolarHBondContact O-N 2.95Å |
| 558 | D | 75.2 | Confident | 70.4 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 178.6 | -64.9 | -51.8 | 0 | 0 | 0 | 111.9 | S554 K555 F561 C562 | S554-D558 PolarHBondContact O-N 3.5Å; S554-D558 VanDerWaalsContact O-OD2 3.07Å; S554-D558 PolarHBondContact OG-OD2 2.99Å; K555-D558 PolarHBondContact O-N 3.31Å; D558-F561 PolarHBondContact O-N 3.42Å; D558-C562 PolarHBondContact O-N 3.31Å; D558-C562 PolarHBondContact O-SG 2.8Å |
| 559 | I | 79 | Confident | 72.5 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 28% | 0.277 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.5 | -65.7 | 163.1 | 0 | 0 | 0 | 111.2 | I538 K555 C562 K563 | I538-I559 HydrophobicContact CD1-CD1 3.72Å; I538-I559 HydrophobicContact CD1-CG1 4.21Å; K555-I559 WeakPolarHBondContact O-CD1 3.35Å; K555-I559 VanDerWaalsContact O-CG1 3.29Å; K555-I559 WeakPolarHBondContact O-CG1 3.33Å; K555-I559 PolarHBondContact O-N 3.05Å; I559-C562 PolarHBondContact O-N 2.83Å; I559-K563 PolarHBondContact O-N 2.86Å |
| 560 | M | 78.1 | Confident | 74.6 | Confident | 111 Ų | 111 | 69 Ų | 69 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.3 | -176.5 | 177.4 | 176.4 | 0 | 0 | 111.7 | K556 H557 K563 Q564 | K556-M560 VanDerWaalsContact O-CB 3.31Å; K556-M560 WeakPolarHBondContact O-CB 3.46Å; K556-M560 PolarHBondContact O-N 3.3Å; H557-M560 PolarHBondContact O-N 3.34Å; M560-K563 PolarHBondContact O-N 3.16Å; M560-Q564 PolarHBondContact O-N 2.76Å; M560-Q564 VanDerWaalsContact O-N 3.08Å |
| 561 | F | 83.3 | Confident | 76.4 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 172 | 163.2 | -102.7 | 0 | 0 | 0 | 111.6 | K415 C418 I419 M423 I530 H557 D558 K563 Q564 I565 | K415-F561 HydrophobicContact CB-CZ 4.27Å; K415-F561 HydrophobicContact CD-CE1 4.45Å; K415-F561 HydrophobicContact CG-CE1 3.86Å; K415-F561 HydrophobicContact CG-CZ 3.83Å; C418-F561 HydrophobicContact CB-CE2 3.74Å; C418-F561 HydrophobicContact CB-CZ 4.2Å; I419-F561 HydrophobicContact CD1-CD2 4.33Å; I419-F561 HydrophobicContact CD1-CE2 4.22Å; I419-F561 HydrophobicContact CD1-CZ 4.41Å; I419-F561 HydrophobicContact CG1-CD2 3.58Å; I419-F561 HydrophobicContact CG1-CE2 3.46Å; I419-F561 VanDerWaalsContact CG1-CE2 3.46Å; I419-F561 HydrophobicContact CG1-CG 4.3Å; I419-F561 HydrophobicContact CG1-CZ 4.09Å; M423-F561 HydrophobicContact CG-CD2 4.06Å; M423-F561 HydrophobicContact SD-CD2 4.07Å; I530-F561 HydrophobicContact CG2-CE1 3.87Å; I530-F561 HydrophobicContact CG2-CZ 4.37Å; H557-F561 WeakPolarHBondContact O-CB 3.24Å; H557-F561 PolarHBondContact O-N 2.95Å; D558-F561 PolarHBondContact O-N 3.42Å; F561-K563 PolarHBondContact O-N 2.76Å; F561-Q564 PolarHBondContact O-N 3.17Å; F561-Q564 VanDerWaalsContact O-N 3.09Å; F561-I565 HydrophobicContact CE2-CB 4.39Å; F561-I565 HydrophobicContact CZ-CB 4.35Å; F561-I565 HydrophobicContact CZ-CD1 4.04Å; F561-I565 HydrophobicContact CZ-CG2 4.39Å; F561-I565 PolarHBondContact O-N 2.94Å |
| 562 | C | 85.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 178.9 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | I531 N534 V535 D558 I559 Q564 I565 V566 L607 | I531-C562 HydrophobicContact CG1-CB 4.36Å; N534-C562 VanDerWaalsContact CB-SG 3.51Å; N534-C562 PolarHBondContact ND2-SG 2.97Å; V535-C562 HydrophobicContact CG2-CB 4.27Å; D558-C562 PolarHBondContact O-N 3.31Å; D558-C562 PolarHBondContact O-SG 2.8Å; I559-C562 PolarHBondContact O-N 2.83Å; C562-Q564 VanDerWaalsContact C-N 3.33Å; C562-Q564 PolarHBondContact O-N 3.46Å; C562-I565 VanDerWaalsContact O-CG2 3.3Å; C562-I565 WeakPolarHBondContact O-CG2 3.43Å; C562-V566 PolarHBondContact O-N 2.65Å; C562-L607 HydrophobicContact CB-CD1 4.19Å; C562-L607 HydrophobicContact CB-CD2 3.51Å; C562-L607 VanDerWaalsContact O-CD1 3.26Å; C562-L607 WeakPolarHBondContact O-CD1 3.33Å |
| 563 | K | 84.8 | Confident | 79.9 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 171.8 | -76.5 | 179.4 | -177.6 | -99.3 | 0 | 111.7 | I559 M560 F561 S567 L607 L609 | I559-K563 PolarHBondContact O-N 2.86Å; M560-K563 PolarHBondContact O-N 3.16Å; F561-K563 PolarHBondContact O-N 2.76Å; K563-S567 WeakPolarHBondContact O-CB 3.46Å; K563-S567 PolarHBondContact O-N 3.38Å; K563-S567 PolarHBondContact O-OG 3.48Å; K563-L607 WeakPolarHBondContact CE-O 3.36Å; K563-L607 HydrophobicContact CG-CB 4.12Å; K563-L607 HydrophobicContact CG-CD2 4.39Å; K563-L607 PolarHBondContact NZ-O 3.48Å; K563-L609 HydrophobicContact CB-CD2 4.46Å; K563-L609 HydrophobicContact CG-CD2 4.33Å |
| 564 | Q | 82.9 | Confident | 81.4 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.7 | -38.1 | -177.2 | -164.8 | 68.2 | 47 | 0 | 0 | 113.8 | M423 M560 F561 C562 V566 S567 N568 | M423-Q564 HydrophobicContact CE-CB 4.45Å; M423-Q564 HydrophobicContact SD-CB 3.55Å; M423-Q564 VanDerWaalsContact SD-CB 3.55Å; M423-Q564 HydrophobicContact SD-CG 3.59Å; M423-Q564 VanDerWaalsContact SD-CG 3.59Å; M560-Q564 PolarHBondContact O-N 2.76Å; M560-Q564 VanDerWaalsContact O-N 3.08Å; F561-Q564 PolarHBondContact O-N 3.17Å; F561-Q564 VanDerWaalsContact O-N 3.09Å; C562-Q564 VanDerWaalsContact C-N 3.33Å; C562-Q564 PolarHBondContact O-N 3.46Å; Q564-V566 VanDerWaalsContact C-N 3.32Å; Q564-V566 PolarHBondContact O-N 3.25Å; Q564-S567 WeakPolarHBondContact CA-OG 3.39Å; Q564-S567 PolarHBondContact NE2-OG 2.69Å; Q564-S567 PolarHBondContact O-N 2.96Å; Q564-S567 PolarHBondContact O-OG 3.46Å; Q564-S567 VanDerWaalsContact O-OG 3.05Å; Q564-N568 PolarHBondContact NE2-OD1 3.02Å; Q564-N568 WeakPolarHBondContact O-CB 3.28Å; Q564-N568 PolarHBondContact O-N 3.35Å; Q564-N568 PolarHBondContact O-OD1 3.18Å |
| 565 | I | 87.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 177.8 | -169.6 | 175.6 | 0 | 0 | 0 | 111.7 | V414 C418 F431 L527 I530 F561 C562 S569 | V414-I565 HydrophobicContact CG1-CD1 4.36Å; C418-I565 HydrophobicContact CB-CD1 3.96Å; C418-I565 HydrophobicContact CB-CG1 4.23Å; C418-I565 WeakPolarHBondContact SG-CD1 3.31Å; F431-I565 HydrophobicContact CD1-CG1 4.16Å; F431-I565 HydrophobicContact CE1-CD1 4.2Å; F431-I565 HydrophobicContact CE1-CG1 3.74Å; L527-I565 HydrophobicContact CD2-CD1 3.57Å; L527-I565 HydrophobicContact CD2-CG1 3.68Å; L527-I565 HydrophobicContact CD2-CG2 4.46Å; I530-I565 HydrophobicContact CD1-CD1 4.28Å; F561-I565 HydrophobicContact CE2-CB 4.39Å; F561-I565 HydrophobicContact CZ-CB 4.35Å; F561-I565 HydrophobicContact CZ-CD1 4.04Å; F561-I565 HydrophobicContact CZ-CG2 4.39Å; F561-I565 PolarHBondContact O-N 2.94Å; C562-I565 VanDerWaalsContact O-CG2 3.3Å; C562-I565 WeakPolarHBondContact O-CG2 3.43Å; I565-S569 VanDerWaalsContact O-CB 3.31Å; I565-S569 WeakPolarHBondContact O-CB 3.35Å; I565-S569 PolarHBondContact O-N 2.98Å; I565-S569 PolarHBondContact O-OG 3.33Å |
| 566 | V | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.5 | -43.4 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | I531 C562 Q564 N568 S569 W570 M600 L607 L609 | I531-V566 HydrophobicContact CD1-CG2 3.39Å; C562-V566 PolarHBondContact O-N 2.65Å; Q564-V566 VanDerWaalsContact C-N 3.32Å; Q564-V566 PolarHBondContact O-N 3.25Å; V566-N568 VanDerWaalsContact C-N 3.29Å; V566-N568 PolarHBondContact O-N 3.03Å; V566-S569 WeakPolarHBondContact CA-OG 3.39Å; V566-S569 PolarHBondContact O-N 3.44Å; V566-S569 PolarHBondContact O-OG 3.1Å; V566-W570 HydrophobicContact CG1-CB 4.49Å; V566-W570 VanDerWaalsContact O-CD1 3.32Å; V566-W570 PolarHBondContact O-N 3.36Å; V566-M600 HydrophobicContact CG1-CE 4.43Å; V566-L607 HydrophobicContact CB-CD1 4.1Å; V566-L607 HydrophobicContact CG2-CD1 3.51Å; V566-L609 HydrophobicContact CB-CD1 3.69Å; V566-L609 HydrophobicContact CG1-CD1 3.63Å |
| 567 | S | 85.3 | Confident | 84.8 | Confident | 45 Ų | 45 | 34.6 Ų | 34.6 | 32% | 0.315 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.7 | -35 | 179.7 | 73.6 | 0 | 0 | 0 | 0 | 113 | K563 Q564 W570 | K563-S567 WeakPolarHBondContact O-CB 3.46Å; K563-S567 PolarHBondContact O-N 3.38Å; K563-S567 PolarHBondContact O-OG 3.48Å; Q564-S567 WeakPolarHBondContact CA-OG 3.39Å; Q564-S567 PolarHBondContact NE2-OG 2.69Å; Q564-S567 PolarHBondContact O-N 2.96Å; Q564-S567 PolarHBondContact O-OG 3.46Å; Q564-S567 VanDerWaalsContact O-OG 3.05Å; S567-W570 VanDerWaalsContact O-CD1 3.24Å |
| 568 | N | 83.4 | Confident | 85.5 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.3 | -27.3 | 174.1 | -73 | 14 | 0 | 0 | 0 | 113.6 | D422 H432 Q564 V566 | D422-N568 PolarHBondContact OD2-ND2 3Å; H432-N568 PolarHBondContact ND1-O 2.94Å; Q564-N568 PolarHBondContact NE2-OD1 3.02Å; Q564-N568 WeakPolarHBondContact O-CB 3.28Å; Q564-N568 PolarHBondContact O-N 3.35Å; Q564-N568 PolarHBondContact O-OD1 3.18Å; V566-N568 VanDerWaalsContact C-N 3.29Å; V566-N568 PolarHBondContact O-N 3.03Å |
| 569 | S | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -101.4 | -30.8 | -168 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | I565 V566 C571 G572 I573 | I565-S569 VanDerWaalsContact O-CB 3.31Å; I565-S569 WeakPolarHBondContact O-CB 3.35Å; I565-S569 PolarHBondContact O-N 2.98Å; I565-S569 PolarHBondContact O-OG 3.33Å; V566-S569 WeakPolarHBondContact CA-OG 3.39Å; V566-S569 PolarHBondContact O-N 3.44Å; V566-S569 PolarHBondContact O-OG 3.1Å; S569-C571 PolarHBondContact O-N 2.97Å; S569-G572 PolarHBondContact O-N 3.06Å; S569-I573 WeakPolarHBondContact O-CG1 3.13Å; S569-I573 PolarHBondContact O-N 2.85Å; S569-I573 VanDerWaalsContact O-N 3.15Å |
| 570 | W | 91.1 | Very high | 86.3 | Confident | 24 Ų | 24 | 26.1 Ų | 26.1 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | -165.1 | 76 | -84.4 | 0 | 0 | 0 | 114.5 | V566 S567 G572 I573 L574 M600 S612 A615 F616 L647 | V566-W570 HydrophobicContact CG1-CB 4.49Å; V566-W570 VanDerWaalsContact O-CD1 3.32Å; V566-W570 PolarHBondContact O-N 3.36Å; S567-W570 VanDerWaalsContact O-CD1 3.24Å; W570-G572 PolarHBondContact O-N 3.18Å; W570-I573 PolarHBondContact O-N 2.86Å; W570-L574 HydrophobicContact CE3-CD2 4.1Å; W570-L574 HydrophobicContact CZ3-CD2 3.8Å; W570-L574 VanDerWaalsContact O-CB 3.25Å; W570-L574 WeakPolarHBondContact O-CB 3.38Å; W570-L574 PolarHBondContact O-N 2.81Å; W570-M600 HydrophobicContact CB-CE 4.47Å; W570-S612 VanDerWaalsContact CD2-CB 3.41Å; W570-S612 VanDerWaalsContact CG-CB 3.49Å; W570-A615 HydrophobicContact CE3-CB 4.45Å; W570-A615 HydrophobicContact CH2-CB 4.29Å; W570-A615 HydrophobicContact CZ3-CB 3.63Å; W570-F616 HydrophobicContact CB-CE2 3.78Å; W570-F616 HydrophobicContact CB-CZ 3.93Å; W570-L647 HydrophobicContact CH2-CD1 3.65Å; W570-L647 HydrophobicContact CZ3-CD1 3.86Å |
| 571 | C | 88.2 | Confident | 86.6 | Confident | 41 Ų | 41 | 21.3 Ų | 21.3 | 28% | 0.277 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | S569 L574 S575 L647 | S569-C571 PolarHBondContact O-N 2.97Å; C571-L574 PolarHBondContact O-N 2.7Å; C571-S575 PolarHBondContact O-N 2.88Å; C571-S575 PolarHBondContact O-OG 2.9Å; C571-L647 HydrophobicContact CB-CD2 4.08Å |
| 572 | G | 85.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.3 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S569 W570 S575 T576 | S569-G572 PolarHBondContact O-N 3.06Å; W570-G572 PolarHBondContact O-N 3.18Å; G572-S575 PolarHBondContact O-OG 3.26Å; G572-T576 WeakPolarHBondContact O-CB 3.32Å; G572-T576 PolarHBondContact O-N 2.97Å; G572-T576 PolarHBondContact O-OG1 3.27Å |
| 573 | I | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.9 | -48 | 173.3 | -66.3 | 170.8 | 0 | 0 | 0 | 110.5 | L435 L520 V524 L527 S569 W570 T576 L577 M600 F616 | L435-I573 HydrophobicContact CD1-CD1 4.15Å; L435-I573 HydrophobicContact CD1-CG1 4.2Å; L435-I573 HydrophobicContact CD2-CD1 4.23Å; L435-I573 HydrophobicContact CD2-CG1 3.84Å; L520-I573 HydrophobicContact CD1-CG1 4.15Å; V524-I573 HydrophobicContact CG2-CD1 4.38Å; V524-I573 HydrophobicContact CG2-CG2 3.99Å; L527-I573 HydrophobicContact CD1-CD1 3.79Å; S569-I573 WeakPolarHBondContact O-CG1 3.13Å; S569-I573 PolarHBondContact O-N 2.85Å; S569-I573 VanDerWaalsContact O-N 3.15Å; W570-I573 PolarHBondContact O-N 2.86Å; I573-T576 PolarHBondContact O-N 3.27Å; I573-L577 HydrophobicContact CG2-CD1 3.58Å; I573-L577 HydrophobicContact CG2-CG 4.07Å; I573-L577 WeakPolarHBondContact O-CB 3.36Å; I573-L577 VanDerWaalsContact O-CG 3.28Å; I573-L577 WeakPolarHBondContact O-CG 3.47Å; I573-L577 PolarHBondContact O-N 2.95Å; I573-M600 HydrophobicContact CD1-CE 4.11Å; I573-M600 HydrophobicContact CD1-SD 4.21Å; I573-M600 HydrophobicContact CG2-CG 4.1Å; I573-M600 HydrophobicContact CG2-SD 4.49Å; I573-F616 HydrophobicContact CG2-CE1 4.27Å; I573-F616 HydrophobicContact CG2-CZ 4.34Å |
| 574 | L | 89.6 | Confident | 85.9 | Confident | 13 Ų | 13 | 19.2 Ų | 19.2 | 7% | 0.068 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | -177.2 | 177.6 | 63.6 | 0 | 0 | 0 | 112.6 | W570 C571 T576 S578 A615 F616 T619 | W570-L574 HydrophobicContact CE3-CD2 4.1Å; W570-L574 HydrophobicContact CZ3-CD2 3.8Å; W570-L574 VanDerWaalsContact O-CB 3.25Å; W570-L574 WeakPolarHBondContact O-CB 3.38Å; W570-L574 PolarHBondContact O-N 2.81Å; C571-L574 PolarHBondContact O-N 2.7Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-T576 PolarHBondContact O-N 3.39Å; L574-S578 VanDerWaalsContact O-CB 3.31Å; L574-S578 WeakPolarHBondContact O-CB 3.41Å; L574-S578 PolarHBondContact O-N 2.95Å; L574-S578 PolarHBondContact O-OG 2.81Å; L574-A615 HydrophobicContact CD2-CB 3.7Å; L574-F616 HydrophobicContact CB-CD1 4.26Å; L574-F616 HydrophobicContact CB-CE1 3.65Å; L574-F616 HydrophobicContact CB-CZ 4.09Å; L574-F616 HydrophobicContact CD1-CD1 3.57Å; L574-F616 HydrophobicContact CD1-CE1 3.84Å; L574-F616 HydrophobicContact CD1-CG 4.38Å; L574-F616 HydrophobicContact CG-CD1 4.43Å; L574-F616 HydrophobicContact CG-CE1 4.3Å; L574-T619 HydrophobicContact CD1-CG2 4.38Å |
| 575 | S | 86.6 | Confident | 85.3 | Confident | 55 Ų | 55 | 18.1 Ų | 18.1 | 39% | 0.385 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 179.6 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | C571 G572 S578 L579 | C571-S575 PolarHBondContact O-N 2.88Å; C571-S575 PolarHBondContact O-OG 2.9Å; G572-S575 PolarHBondContact O-OG 3.26Å; S575-S578 PolarHBondContact O-N 3.5Å; S575-L579 PolarHBondContact O-N 3.45Å; S575-L579 VanDerWaalsContact O-N 3.12Å |
| 576 | T | 88.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 19.6 Ų | 19.6 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.9 | -45.3 | 179.4 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | G439 I442 L520 G572 I573 L574 S578 L579 L580 | G439-T576 WeakPolarHBondContact CA-OG1 3.42Å; I442-T576 HydrophobicContact CB-CG2 4.31Å; I442-T576 HydrophobicContact CD1-CG2 3.57Å; I442-T576 HydrophobicContact CG2-CG2 4.33Å; L520-T576 HydrophobicContact CD2-CG2 3.61Å; G572-T576 WeakPolarHBondContact O-CB 3.32Å; G572-T576 PolarHBondContact O-N 2.97Å; G572-T576 PolarHBondContact O-OG1 3.27Å; I573-T576 PolarHBondContact O-N 3.27Å; L574-T576 VanDerWaalsContact C-N 3.34Å; L574-T576 PolarHBondContact O-N 3.39Å; T576-S578 VanDerWaalsContact C-N 3.31Å; T576-S578 PolarHBondContact O-N 3.18Å; T576-L579 PolarHBondContact O-N 3.43Å; T576-L580 HydrophobicContact CG2-CD1 3.94Å; T576-L580 HydrophobicContact CG2-CG 4.46Å; T576-L580 WeakPolarHBondContact O-CB 3.4Å; T576-L580 VanDerWaalsContact O-CG 3.27Å; T576-L580 WeakPolarHBondContact O-CG 3.22Å; T576-L580 PolarHBondContact O-N 3.35Å |
| 577 | L | 89.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 175.9 | -73.9 | 179.4 | 0 | 0 | 0 | 111.9 | L520 I573 L580 F581 L593 L597 | L520-L577 HydrophobicContact CD2-CD2 3.79Å; L520-L577 HydrophobicContact CD2-CG 4.14Å; L520-L577 HydrophobicContact CG-CD2 4.48Å; I573-L577 HydrophobicContact CG2-CD1 3.58Å; I573-L577 HydrophobicContact CG2-CG 4.07Å; I573-L577 WeakPolarHBondContact O-CB 3.36Å; I573-L577 VanDerWaalsContact O-CG 3.28Å; I573-L577 WeakPolarHBondContact O-CG 3.47Å; I573-L577 PolarHBondContact O-N 2.95Å; L577-L580 PolarHBondContact O-N 2.81Å; L577-F581 VanDerWaalsContact O-CB 3.27Å; L577-F581 WeakPolarHBondContact O-CB 3.48Å; L577-F581 PolarHBondContact O-N 3.39Å; L577-L593 HydrophobicContact CD2-CD2 3.61Å; L577-L597 HydrophobicContact CB-CD2 4.18Å; L577-L597 HydrophobicContact CD1-CD2 3.78Å; L577-L597 HydrophobicContact CD1-CG 4.24Å |
| 578 | S | 85.9 | Confident | 83.9 | Confident | 34 Ų | 34 | 27.9 Ų | 27.9 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -45.8 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L574 S575 T576 F581 E582 | L574-S578 VanDerWaalsContact O-CB 3.31Å; L574-S578 WeakPolarHBondContact O-CB 3.41Å; L574-S578 PolarHBondContact O-N 2.95Å; L574-S578 PolarHBondContact O-OG 2.81Å; S575-S578 PolarHBondContact O-N 3.5Å; T576-S578 VanDerWaalsContact C-N 3.31Å; T576-S578 PolarHBondContact O-N 3.18Å; S578-F581 PolarHBondContact O-N 3.48Å; S578-E582 PolarHBondContact O-N 2.73Å |
| 579 | L | 85.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.4 | 176.8 | 63.1 | 0 | 0 | 0 | 112.3 | Q443 L446 Y480 S575 T576 F581 S583 | Q443-L579 HydrophobicContact CB-CD2 3.91Å; Q443-L579 HydrophobicContact CG-CD2 4.13Å; L446-L579 HydrophobicContact CD1-CD2 4.18Å; L446-L579 HydrophobicContact CD1-CG 4.12Å; Y480-L579 HydrophobicContact CD2-CD1 4.29Å; Y480-L579 HydrophobicContact CE2-CD1 3.64Å; S575-L579 PolarHBondContact O-N 3.45Å; S575-L579 VanDerWaalsContact O-N 3.12Å; T576-L579 PolarHBondContact O-N 3.43Å; L579-F581 VanDerWaalsContact C-N 3.32Å; L579-S583 WeakPolarHBondContact O-CB 3.27Å; L579-S583 PolarHBondContact O-N 3.16Å; L579-S583 PolarHBondContact O-OG 3.46Å |
| 580 | L | 86.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.9 | -34.4 | 175.8 | -74.7 | 167.7 | 0 | 0 | 0 | 112.2 | I442 L478 L517 L520 T576 L577 S583 S584 L593 | I442-L580 HydrophobicContact CD1-CD1 4.23Å; I442-L580 HydrophobicContact CG2-CD2 3.76Å; I442-L580 HydrophobicContact CG2-CG 4.1Å; L478-L580 HydrophobicContact CD1-CD2 3.99Å; L517-L580 HydrophobicContact CD1-CD1 3.66Å; L517-L580 HydrophobicContact CD1-CD2 4.19Å; L517-L580 HydrophobicContact CD1-CG 4.47Å; L520-L580 HydrophobicContact CD2-CD1 3.64Å; T576-L580 HydrophobicContact CG2-CD1 3.94Å; T576-L580 HydrophobicContact CG2-CG 4.46Å; T576-L580 WeakPolarHBondContact O-CB 3.4Å; T576-L580 VanDerWaalsContact O-CG 3.27Å; T576-L580 WeakPolarHBondContact O-CG 3.22Å; T576-L580 PolarHBondContact O-N 3.35Å; L577-L580 PolarHBondContact O-N 2.81Å; L580-S583 WeakPolarHBondContact CA-OG 3.41Å; L580-S583 PolarHBondContact O-OG 3.15Å; L580-S584 WeakPolarHBondContact O-CB 3.46Å; L580-S584 PolarHBondContact O-N 2.7Å; L580-L593 HydrophobicContact CB-CD1 3.81Å; L580-L593 HydrophobicContact CB-CD2 3.75Å; L580-L593 HydrophobicContact CB-CG 4.46Å; L580-L593 HydrophobicContact CD1-CD2 3.96Å; L580-L593 HydrophobicContact CG-CD2 4.5Å; L580-L593 WeakPolarHBondContact O-CD1 3.21Å |
| 581 | F | 83.4 | Confident | 83.3 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 4% | 0.044 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.1 | -46 | 177.6 | -172.4 | -89.8 | 0 | 0 | 0 | 111.4 | L577 S578 L579 S583 S584 T590 L593 L594 A623 F661 A730 | L577-F581 VanDerWaalsContact O-CB 3.27Å; L577-F581 WeakPolarHBondContact O-CB 3.48Å; L577-F581 PolarHBondContact O-N 3.39Å; S578-F581 PolarHBondContact O-N 3.48Å; L579-F581 VanDerWaalsContact C-N 3.32Å; F581-S583 VanDerWaalsContact C-N 3.29Å; F581-S583 PolarHBondContact O-N 3.22Å; F581-S584 PolarHBondContact O-N 3.16Å; F581-S584 PolarHBondContact O-OG 2.92Å; F581-T590 HydrophobicContact CD2-CG2 4.31Å; F581-T590 HydrophobicContact CE2-CG2 3.58Å; F581-T590 HydrophobicContact CZ-CG2 4.19Å; F581-L593 HydrophobicContact CB-CD1 4.44Å; F581-L594 HydrophobicContact CD2-CD2 4.4Å; F581-L594 HydrophobicContact CE2-CD1 4.35Å; F581-L594 HydrophobicContact CE2-CD2 3.72Å; F581-L594 HydrophobicContact CE2-CG 3.89Å; F581-L594 HydrophobicContact CZ-CD2 4.42Å; F581-A623 HydrophobicContact CD1-CB 4.13Å; F581-A623 HydrophobicContact CE1-CB 3.38Å; F581-A623 HydrophobicContact CE2-CB 4.35Å; F581-A623 HydrophobicContact CZ-CB 3.52Å; F581-F661 HydrophobicContact CE1-CE1 4.49Å; F581-F661 HydrophobicContact CE1-CZ 4.27Å; F581-A730 HydrophobicContact CZ-CB 4.38Å |
| 582 | E | 78.1 | Confident | 83.2 | Confident | 38 Ų | 38 | 27 Ų | 27 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 174.1 | -171.6 | 179.1 | 178.4 | 0 | 0 | 111.3 | S578 H657 | S578-E582 PolarHBondContact O-N 2.73Å; E582-H657 IonicContact OE1-CE1 2.61Å; E582-H657 IonicContact OE1-ND1 3.26Å; E582-H657 PolarHBondContact OE1-ND1 2.69Å |
| 583 | S | 80.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -83.3 | -11.9 | -179.9 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | L478 Y479 L579 L580 F581 A585 | L478-S583 CarbonylContact C-O 3.58Å; L478-S583 VanDerWaalsContact CA-O 3.23Å; L478-S583 WeakPolarHBondContact CA-O 3.26Å; L478-S583 WeakPolarHBondContact CB-O 3.45Å; Y479-S583 PolarHBondContact N-O 3.12Å; Y479-S583 VanDerWaalsContact O-CA 3.28Å; Y479-S583 WeakPolarHBondContact O-CA 3.33Å; Y479-S583 WeakPolarHBondContact O-CB 3.43Å; L579-S583 WeakPolarHBondContact O-CB 3.27Å; L579-S583 PolarHBondContact O-N 3.16Å; L579-S583 PolarHBondContact O-OG 3.46Å; L580-S583 WeakPolarHBondContact CA-OG 3.41Å; L580-S583 PolarHBondContact O-OG 3.15Å; F581-S583 VanDerWaalsContact C-N 3.29Å; F581-S583 PolarHBondContact O-N 3.22Å; S583-A585 PolarHBondContact O-N 2.9Å |
| 584 | S | 80.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -58.9 | 136.9 | 176.2 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | L580 F581 T590 K726 | L580-S584 WeakPolarHBondContact O-CB 3.46Å; L580-S584 PolarHBondContact O-N 2.7Å; F581-S584 PolarHBondContact O-N 3.16Å; F581-S584 PolarHBondContact O-OG 2.92Å; S584-T590 PolarHBondContact OG-OG1 3.43Å; S584-K726 WeakPolarHBondContact O-CE 3.4Å; S584-K726 PolarHBondContact O-NZ 3.03Å |
| 585 | A | 71.1 | Confident | 83.5 | Confident | 48 Ų | 48 | 30.5 Ų | 30.5 | 40% | 0.397 | 17% | 0.173 | S | C | . | . | trans | -117 | -26.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M477 S583 | M477-A585 PolarHBondContact O-N 2.91Å; S583-A585 PolarHBondContact O-N 2.9Å | ||
| 586 | D | 73.8 | Confident | 83.8 | Confident | 35 Ų | 35 | 28 Ų | 28 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -89.7 | 146.2 | -176.9 | 172.4 | 52.8 | 0 | 0 | 0 | 114.3 | S476 M477 H588 I589 T590 | S476-D586 WeakPolarHBondContact CB-OD2 3.2Å; S476-D586 VanDerWaalsContact OG-CG 3.3Å; S476-D586 PolarHBondContact OG-OD2 3.42Å; M477-D586 PolarHBondContact O-N 3.43Å; D586-H588 WeakPolarHBondContact OD2-CB 3.02Å; D586-H588 PolarHBondContact OD2-N 3.19Å; D586-H588 VanDerWaalsContact OD2-N 3.11Å; D586-I589 HydrophobicContact CB-CB 4.46Å; D586-I589 HydrophobicContact CB-CD1 4.22Å; D586-I589 HydrophobicContact CB-CG1 4.3Å; D586-I589 PolarHBondContact OD2-N 3.12Å; D586-T590 WeakPolarHBondContact O-CB 3.2Å; D586-T590 PolarHBondContact O-N 2.73Å; D586-T590 PolarHBondContact O-OG1 2.96Å |
| 587 | H | 77.6 | Confident | 83.9 | Confident | 92 Ų | 92 | 27.8 Ų | 27.8 | 43% | 0.426 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 179.6 | 178.9 | 104.4 | 0 | 0 | 0 | 112.6 | T590 S591 Q729 | H587-T590 PolarHBondContact O-N 3.16Å; H587-S591 WeakPolarHBondContact O-CB 3.37Å; H587-S591 PolarHBondContact O-N 3.48Å; H587-Q729 PolarHBondContact CE1-NE2 2.69Å; H587-Q729 PolarHBondContact ND1-NE2 2.75Å; H587-Q729 VanDerWaalsContact ND1-NE2 3.15Å; H587-Q729 PolarHBondContact NE2-NE2 3.25Å; H587-Q729 PolarHBondContact O-NE2 3.48Å; H587-Q729 VanDerWaalsContact O-NE2 3.15Å |
| 588 | H | 78.6 | Confident | 84.1 | Confident | 127 Ų | 127 | 29.3 Ų | 29.3 | 59% | 0.588 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -72.7 | -39.1 | -176.8 | -64.1 | -67.9 | 0 | 0 | 0 | 112.1 | D586 G592 | D586-H588 WeakPolarHBondContact OD2-CB 3.02Å; D586-H588 PolarHBondContact OD2-N 3.19Å; D586-H588 VanDerWaalsContact OD2-N 3.11Å; H588-G592 PolarHBondContact O-N 3.22Å |
| 589 | I | 81.1 | Confident | 84.4 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -52.7 | 171.1 | -64.7 | 176.8 | 0 | 0 | 0 | 110 | L478 I487 L489 L517 D586 S591 G592 L593 | L478-I589 HydrophobicContact CD2-CD1 3.9Å; L478-I589 HydrophobicContact CD2-CG2 3.96Å; I487-I589 HydrophobicContact CB-CD1 4.05Å; I487-I589 HydrophobicContact CD1-CD1 4.22Å; I487-I589 HydrophobicContact CG1-CD1 4.49Å; I487-I589 HydrophobicContact CG2-CD1 4.11Å; L489-I589 HydrophobicContact CD1-CD1 4.41Å; L489-I589 HydrophobicContact CD1-CG1 3.86Å; L517-I589 HydrophobicContact CD2-CG2 4.49Å; D586-I589 HydrophobicContact CB-CB 4.46Å; D586-I589 HydrophobicContact CB-CD1 4.22Å; D586-I589 HydrophobicContact CB-CG1 4.3Å; D586-I589 PolarHBondContact OD2-N 3.12Å; I589-S591 VanDerWaalsContact C-N 3.32Å; I589-S591 PolarHBondContact O-N 3.11Å; I589-G592 PolarHBondContact O-N 2.92Å; I589-G592 VanDerWaalsContact O-N 3.13Å; I589-L593 HydrophobicContact CG2-CD1 3.73Å; I589-L593 HydrophobicContact CG2-CG 4.2Å; I589-L593 WeakPolarHBondContact O-CG 3.38Å; I589-L593 PolarHBondContact O-N 3.44Å |
| 590 | T | 83.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | -178.6 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | F581 S584 D586 H587 L593 L594 K726 | F581-T590 HydrophobicContact CD2-CG2 4.31Å; F581-T590 HydrophobicContact CE2-CG2 3.58Å; F581-T590 HydrophobicContact CZ-CG2 4.19Å; S584-T590 PolarHBondContact OG-OG1 3.43Å; D586-T590 WeakPolarHBondContact O-CB 3.2Å; D586-T590 PolarHBondContact O-N 2.73Å; D586-T590 PolarHBondContact O-OG1 2.96Å; H587-T590 PolarHBondContact O-N 3.16Å; T590-L593 PolarHBondContact O-N 2.92Å; T590-L594 HydrophobicContact CG2-CD1 4.08Å; T590-L594 WeakPolarHBondContact O-CB 3.32Å; T590-L594 VanDerWaalsContact O-CG 3.26Å; T590-L594 WeakPolarHBondContact O-CG 3.32Å; T590-L594 PolarHBondContact O-N 2.89Å; T590-K726 HydrophobicContact CG2-CG 4.3Å |
| 591 | S | 85.2 | Confident | 84.9 | Confident | 58 Ų | 58 | 27 Ų | 27 | 41% | 0.406 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61 | -44.8 | 175.8 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | H587 I589 L593 L594 Q595 | H587-S591 WeakPolarHBondContact O-CB 3.37Å; H587-S591 PolarHBondContact O-N 3.48Å; I589-S591 VanDerWaalsContact C-N 3.32Å; I589-S591 PolarHBondContact O-N 3.11Å; S591-L593 PolarHBondContact O-N 2.97Å; S591-L594 PolarHBondContact O-N 2.66Å; S591-Q595 WeakPolarHBondContact O-CB 3.43Å; S591-Q595 PolarHBondContact O-N 3.13Å |
| 592 | G | 86.5 | Confident | 85.2 | Confident | 12 Ų | 12 | 27 Ų | 27 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -34 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H588 I589 S596 | H588-G592 PolarHBondContact O-N 3.22Å; I589-G592 PolarHBondContact O-N 2.92Å; I589-G592 VanDerWaalsContact O-N 3.13Å; G592-S596 PolarHBondContact O-N 2.84Å; G592-S596 PolarHBondContact O-OG 3.49Å |
| 593 | L | 89.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.5 | -44.9 | 173.8 | -67.5 | 172.5 | 0 | 0 | 0 | 111.6 | L517 L577 L580 F581 I589 T590 S591 S596 L597 | L517-L593 HydrophobicContact CD1-CD2 3.88Å; L577-L593 HydrophobicContact CD2-CD2 3.61Å; L580-L593 HydrophobicContact CB-CD1 3.81Å; L580-L593 HydrophobicContact CB-CD2 3.75Å; L580-L593 HydrophobicContact CB-CG 4.46Å; L580-L593 HydrophobicContact CD1-CD2 3.96Å; L580-L593 HydrophobicContact CG-CD2 4.5Å; L580-L593 WeakPolarHBondContact O-CD1 3.21Å; F581-L593 HydrophobicContact CB-CD1 4.44Å; I589-L593 HydrophobicContact CG2-CD1 3.73Å; I589-L593 HydrophobicContact CG2-CG 4.2Å; I589-L593 WeakPolarHBondContact O-CG 3.38Å; I589-L593 PolarHBondContact O-N 3.44Å; T590-L593 PolarHBondContact O-N 2.92Å; S591-L593 PolarHBondContact O-N 2.97Å; L593-S596 WeakPolarHBondContact O-CB 3.43Å; L593-S596 PolarHBondContact O-N 3.01Å; L593-S596 VanDerWaalsContact O-N 3.1Å; L593-L597 PolarHBondContact O-N 3.04Å |
| 594 | L | 90.5 | Very high | 86.1 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.7 | -50.3 | 174.5 | -72.9 | 168.6 | 0 | 0 | 0 | 110.4 | F581 T590 S591 S596 L597 Q598 L620 Q729 A730 A733 | F581-L594 HydrophobicContact CD2-CD2 4.4Å; F581-L594 HydrophobicContact CE2-CD1 4.35Å; F581-L594 HydrophobicContact CE2-CD2 3.72Å; F581-L594 HydrophobicContact CE2-CG 3.89Å; F581-L594 HydrophobicContact CZ-CD2 4.42Å; T590-L594 HydrophobicContact CG2-CD1 4.08Å; T590-L594 WeakPolarHBondContact O-CB 3.32Å; T590-L594 VanDerWaalsContact O-CG 3.26Å; T590-L594 WeakPolarHBondContact O-CG 3.32Å; T590-L594 PolarHBondContact O-N 2.89Å; S591-L594 PolarHBondContact O-N 2.66Å; L594-S596 PolarHBondContact O-N 3.34Å; L594-L597 WeakPolarHBondContact O-CA 3.43Å; L594-L597 WeakPolarHBondContact O-CB 3.34Å; L594-L597 PolarHBondContact O-N 2.93Å; L594-Q598 WeakPolarHBondContact O-CG 3.39Å; L594-Q598 PolarHBondContact O-N 3.15Å; L594-L620 HydrophobicContact CD2-CD1 3.52Å; L594-Q729 HydrophobicContact CD1-CB 3.86Å; L594-A730 HydrophobicContact CD1-CB 4.46Å; L594-A730 HydrophobicContact CD2-CB 4.04Å; L594-A733 HydrophobicContact CB-CB 4.02Å; L594-A733 HydrophobicContact CD1-CB 4.11Å; L594-A733 HydrophobicContact CD2-CB 3.97Å; L594-A733 HydrophobicContact CG-CB 4.26Å |
| 595 | Q | 91 | Very high | 86.4 | Confident | 80 Ų | 80 | 25 Ų | 25 | 37% | 0.374 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -55.2 | -36.9 | 175.7 | -170.3 | -177.1 | 28.1 | 0 | 0 | 112.5 | S591 Q598 I599 | S591-Q595 WeakPolarHBondContact O-CB 3.43Å; S591-Q595 PolarHBondContact O-N 3.13Å; Q595-Q598 PolarHBondContact O-N 2.73Å; Q595-I599 HydrophobicContact CG-CD1 4.21Å; Q595-I599 VanDerWaalsContact O-CG1 3.3Å; Q595-I599 WeakPolarHBondContact O-CG1 3.39Å; Q595-I599 PolarHBondContact O-N 3.49Å |
| 596 | S | 92.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | G592 L593 L594 M600 | G592-S596 PolarHBondContact O-N 2.84Å; G592-S596 PolarHBondContact O-OG 3.49Å; L593-S596 WeakPolarHBondContact O-CB 3.43Å; L593-S596 PolarHBondContact O-N 3.01Å; L593-S596 VanDerWaalsContact O-N 3.1Å; L594-S596 PolarHBondContact O-N 3.34Å; S596-M600 WeakPolarHBondContact O-CG 3.23Å; S596-M600 PolarHBondContact O-N 2.95Å |
| 597 | L | 92 | Very high | 87.4 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 172.1 | -67 | 171.4 | 0 | 0 | 0 | 111.7 | L577 L593 L594 I599 M600 I601 F616 T619 L620 | L577-L597 HydrophobicContact CB-CD2 4.18Å; L577-L597 HydrophobicContact CD1-CD2 3.78Å; L577-L597 HydrophobicContact CD1-CG 4.24Å; L593-L597 PolarHBondContact O-N 3.04Å; L594-L597 WeakPolarHBondContact O-CA 3.43Å; L594-L597 WeakPolarHBondContact O-CB 3.34Å; L594-L597 PolarHBondContact O-N 2.93Å; L597-I599 VanDerWaalsContact C-N 3.35Å; L597-I599 PolarHBondContact O-N 3.21Å; L597-M600 PolarHBondContact O-N 2.75Å; L597-I601 WeakPolarHBondContact O-CG1 3.45Å; L597-I601 PolarHBondContact O-N 3.4Å; L597-F616 HydrophobicContact CD2-CD1 3.76Å; L597-F616 HydrophobicContact CD2-CE1 4.4Å; L597-T619 HydrophobicContact CD1-CG2 4.35Å; L597-T619 HydrophobicContact CD2-CG2 4.49Å; L597-L620 HydrophobicContact CD1-CD1 4.43Å |
| 598 | Q | 93 | Very high | 87.7 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 16% | 0.164 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -46 | 178.3 | -60 | -174.5 | -68.3 | 0 | 0 | 111.6 | L594 Q595 M600 I601 E602 A733 T736 T737 | L594-Q598 WeakPolarHBondContact O-CG 3.39Å; L594-Q598 PolarHBondContact O-N 3.15Å; Q595-Q598 PolarHBondContact O-N 2.73Å; Q598-M600 PolarHBondContact O-N 3.26Å; Q598-I601 PolarHBondContact O-N 2.93Å; Q598-E602 PolarHBondContact O-N 2.85Å; Q598-A733 PolarHBondContact NE2-O 3.41Å; Q598-T736 PolarHBondContact NE2-OG1 3.2Å; Q598-T737 WeakPolarHBondContact CG-OG1 3.4Å; Q598-T737 PolarHBondContact NE2-OG1 3.11Å |
| 599 | I | 91.8 | Very high | 88 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.051 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.8 | -67.9 | 168.9 | 0 | 0 | 0 | 110.7 | V524 K528 Q595 L597 I601 E602 L603 | V524-I599 HydrophobicContact CG1-CB 3.75Å; V524-I599 HydrophobicContact CG1-CD1 4.39Å; V524-I599 HydrophobicContact CG1-CG2 3.49Å; V524-I599 VanDerWaalsContact CG1-CG2 3.49Å; K528-I599 HydrophobicContact CB-CG2 3.8Å; K528-I599 HydrophobicContact CD-CD1 4.14Å; K528-I599 HydrophobicContact CD-CG1 4.04Å; K528-I599 HydrophobicContact CD-CG2 3.91Å; K528-I599 HydrophobicContact CG-CG2 4.23Å; Q595-I599 HydrophobicContact CG-CD1 4.21Å; Q595-I599 VanDerWaalsContact O-CG1 3.3Å; Q595-I599 WeakPolarHBondContact O-CG1 3.39Å; Q595-I599 PolarHBondContact O-N 3.49Å; L597-I599 VanDerWaalsContact C-N 3.35Å; L597-I599 PolarHBondContact O-N 3.21Å; I599-I601 VanDerWaalsContact C-N 3.31Å; I599-I601 PolarHBondContact O-N 3.28Å; I599-E602 WeakPolarHBondContact O-CB 3.42Å; I599-E602 PolarHBondContact O-N 2.85Å; I599-L603 HydrophobicContact CG2-CD1 3.62Å; I599-L603 HydrophobicContact CG2-CG 4.2Å; I599-L603 WeakPolarHBondContact O-CG 3.45Å; I599-L603 PolarHBondContact O-N 2.95Å |
| 600 | M | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67 | -30.1 | 178.5 | -70.1 | -55.5 | -59.9 | 0 | 0 | 113.5 | V524 L527 V566 W570 I573 S596 L597 Q598 L603 S604 F616 | V524-M600 HydrophobicContact CG1-CG 4.03Å; V524-M600 HydrophobicContact CG1-SD 4.05Å; V524-M600 HydrophobicContact CG2-CG 4.14Å; V524-M600 HydrophobicContact CG2-SD 4.05Å; L527-M600 HydrophobicContact CD1-SD 4.26Å; V566-M600 HydrophobicContact CG1-CE 4.43Å; W570-M600 HydrophobicContact CB-CE 4.47Å; I573-M600 HydrophobicContact CD1-CE 4.11Å; I573-M600 HydrophobicContact CD1-SD 4.21Å; I573-M600 HydrophobicContact CG2-CG 4.1Å; I573-M600 HydrophobicContact CG2-SD 4.49Å; S596-M600 WeakPolarHBondContact O-CG 3.23Å; S596-M600 PolarHBondContact O-N 2.95Å; L597-M600 PolarHBondContact O-N 2.75Å; Q598-M600 PolarHBondContact O-N 3.26Å; M600-L603 HydrophobicContact SD-CD1 4.42Å; M600-S604 WeakPolarHBondContact O-CB 3.38Å; M600-S604 PolarHBondContact O-N 2.94Å; M600-S604 PolarHBondContact O-OG 2.94Å; M600-F616 HydrophobicContact CB-CD1 3.98Å; M600-F616 HydrophobicContact CB-CD2 3.76Å; M600-F616 HydrophobicContact CB-CE1 3.83Å; M600-F616 HydrophobicContact CB-CE2 3.62Å; M600-F616 HydrophobicContact CB-CG 3.98Å; M600-F616 HydrophobicContact CB-CZ 3.67Å; M600-F616 HydrophobicContact CE-CE2 3.78Å; M600-F616 HydrophobicContact CE-CZ 3.75Å; M600-F616 HydrophobicContact CG-CE1 4.1Å; M600-F616 HydrophobicContact CG-CE2 4.28Å; M600-F616 HydrophobicContact CG-CZ 3.91Å |
| 601 | I | 90.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -47.3 | 171.1 | -66.7 | 164.3 | 0 | 0 | 0 | 110.4 | L597 Q598 I599 L603 S604 G605 R613 F616 L620 T737 L745 F752 | L597-I601 WeakPolarHBondContact O-CG1 3.45Å; L597-I601 PolarHBondContact O-N 3.4Å; Q598-I601 PolarHBondContact O-N 2.93Å; I599-I601 VanDerWaalsContact C-N 3.31Å; I599-I601 PolarHBondContact O-N 3.28Å; I601-L603 VanDerWaalsContact C-N 3.32Å; I601-L603 PolarHBondContact O-N 2.96Å; I601-S604 PolarHBondContact O-N 3.4Å; I601-G605 PolarHBondContact O-N 3.05Å; I601-R613 HydrophobicContact CG2-CG 4.32Å; I601-F616 HydrophobicContact CD1-CB 4.22Å; I601-F616 HydrophobicContact CG1-CB 3.53Å; I601-L620 HydrophobicContact CD1-CB 4.23Å; I601-L620 HydrophobicContact CD1-CD2 3.59Å; I601-T737 HydrophobicContact CB-CG2 4.32Å; I601-T737 HydrophobicContact CD1-CG2 4.12Å; I601-T737 HydrophobicContact CG2-CG2 3.94Å; I601-L745 HydrophobicContact CG2-CD2 3.68Å; I601-F752 HydrophobicContact CD1-CZ 4.36Å |
| 602 | E | 89.1 | Confident | 88.1 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.7 | -49.3 | 174.5 | -177.8 | -166 | 160 | 0 | 0 | 111.4 | K528 Q598 I599 K606 H741 | K528-E602 IonicContact NZ-OE1 2.71Å; K528-E602 IonicContact NZ-OE2 2.66Å; K528-E602 PolarHBondContact NZ-OE2 3.39Å; Q598-E602 PolarHBondContact O-N 2.85Å; I599-E602 WeakPolarHBondContact O-CB 3.42Å; I599-E602 PolarHBondContact O-N 2.85Å; E602-K606 HydrophobicContact CG-CD 4.13Å; E602-K606 WeakPolarHBondContact O-CB 3.37Å; E602-K606 WeakPolarHBondContact O-CG 3.43Å; E602-K606 PolarHBondContact O-N 2.88Å; E602-K606 IonicContact OE1-NZ 3.68Å; E602-K606 PolarHBondContact OE1-NZ 3.43Å; E602-H741 IonicContact OE2-CE1 3.57Å; E602-H741 PolarHBondContact OE2-CE1 2.72Å; E602-H741 IonicContact OE2-NE2 2.73Å |
| 603 | L | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74.7 | -40.9 | -174.3 | -60.9 | 171.5 | 0 | 0 | 0 | 112.7 | L527 K528 I531 I599 M600 I601 G605 K606 L607 | L527-L603 HydrophobicContact CB-CD1 4.09Å; K528-L603 HydrophobicContact CB-CD1 4.1Å; K528-L603 HydrophobicContact CB-CD2 4.4Å; K528-L603 HydrophobicContact CG-CD2 4.46Å; I531-L603 HydrophobicContact CB-CD2 3.9Å; I531-L603 HydrophobicContact CD1-CB 4.07Å; I531-L603 HydrophobicContact CD1-CD1 4.16Å; I531-L603 HydrophobicContact CD1-CD2 3.98Å; I531-L603 HydrophobicContact CD1-CG 4.28Å; I531-L603 HydrophobicContact CG2-CD2 3.92Å; I599-L603 HydrophobicContact CG2-CD1 3.62Å; I599-L603 HydrophobicContact CG2-CG 4.2Å; I599-L603 WeakPolarHBondContact O-CG 3.45Å; I599-L603 PolarHBondContact O-N 2.95Å; M600-L603 HydrophobicContact SD-CD1 4.42Å; I601-L603 VanDerWaalsContact C-N 3.32Å; I601-L603 PolarHBondContact O-N 2.96Å; L603-G605 VanDerWaalsContact C-N 3.33Å; L603-K606 PolarHBondContact O-N 3.42Å; L603-L607 WeakPolarHBondContact O-CD1 3.34Å; L603-L607 WeakPolarHBondContact O-CG 3.36Å; L603-L607 PolarHBondContact O-N 3.03Å |
| 604 | S | 88.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.8 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | M600 I601 H608 L609 S612 | M600-S604 WeakPolarHBondContact O-CB 3.38Å; M600-S604 PolarHBondContact O-N 2.94Å; M600-S604 PolarHBondContact O-OG 2.94Å; I601-S604 PolarHBondContact O-N 3.4Å; S604-H608 PolarHBondContact O-N 2.95Å; S604-L609 PolarHBondContact O-N 3.43Å; S604-S612 WeakPolarHBondContact CB-OG 3.26Å; S604-S612 PolarHBondContact OG-OG 2.58Å |
| 605 | G | 85.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -52.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I601 L603 L607 H608 V744 | I601-G605 PolarHBondContact O-N 3.05Å; L603-G605 VanDerWaalsContact C-N 3.33Å; G605-L607 PolarHBondContact O-N 3.44Å; G605-H608 PolarHBondContact O-N 3.45Å; G605-V744 WeakPolarHBondContact CA-O 3.48Å; G605-V744 WeakPolarHBondContact O-CG1 3.49Å |
| 606 | K | 82.8 | Confident | 87.7 | Confident | 74 Ų | 74 | 24.4 Ų | 24.4 | 32% | 0.322 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59 | -18.8 | -175.3 | -83.6 | 176.1 | 171.3 | 174.6 | 0 | 113.9 | N532 E602 L603 V744 | N532-K606 PolarHBondContact OD1-NZ 3.06Å; E602-K606 HydrophobicContact CG-CD 4.13Å; E602-K606 WeakPolarHBondContact O-CB 3.37Å; E602-K606 WeakPolarHBondContact O-CG 3.43Å; E602-K606 PolarHBondContact O-N 2.88Å; E602-K606 IonicContact OE1-NZ 3.68Å; E602-K606 PolarHBondContact OE1-NZ 3.43Å; L603-K606 PolarHBondContact O-N 3.42Å; K606-V744 HydrophobicContact CG-CG1 4.21Å; K606-V744 VanDerWaalsContact N-CG1 3.29Å |
| 607 | L | 84.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 5.5 | 179.6 | -64.1 | 170.8 | 0 | 0 | 0 | 112.9 | I531 V535 C562 K563 V566 L603 G605 L609 | I531-L607 HydrophobicContact CD1-CD1 4Å; I531-L607 HydrophobicContact CG1-CD1 4.38Å; I531-L607 HydrophobicContact CG2-CD1 4.19Å; I531-L607 HydrophobicContact CG2-CD2 4.3Å; I531-L607 HydrophobicContact CG2-CG 4.28Å; V535-L607 HydrophobicContact CG2-CD2 4.17Å; C562-L607 HydrophobicContact CB-CD1 4.19Å; C562-L607 HydrophobicContact CB-CD2 3.51Å; C562-L607 VanDerWaalsContact O-CD1 3.26Å; C562-L607 WeakPolarHBondContact O-CD1 3.33Å; K563-L607 WeakPolarHBondContact CE-O 3.36Å; K563-L607 HydrophobicContact CG-CB 4.12Å; K563-L607 HydrophobicContact CG-CD2 4.39Å; K563-L607 PolarHBondContact NZ-O 3.48Å; V566-L607 HydrophobicContact CB-CD1 4.1Å; V566-L607 HydrophobicContact CG2-CD1 3.51Å; L603-L607 WeakPolarHBondContact O-CD1 3.34Å; L603-L607 WeakPolarHBondContact O-CG 3.36Å; L603-L607 PolarHBondContact O-N 3.03Å; G605-L607 PolarHBondContact O-N 3.44Å; L607-L609 HydrophobicContact CB-CD1 4.05Å; L607-L609 HydrophobicContact CB-CG 4Å; L607-L609 HydrophobicContact CD1-CD1 4.4Å; L607-L609 PolarHBondContact O-N 2.93Å |
| 608 | H | 82.4 | Confident | 87.3 | Confident | 114 Ų | 114 | 25.2 Ų | 25.2 | 53% | 0.528 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 58.1 | -173.1 | -51.2 | -76.5 | 0 | 0 | 0 | 111.6 | S604 G605 | S604-H608 PolarHBondContact O-N 2.95Å; G605-H608 PolarHBondContact O-N 3.45Å |
| 609 | L | 85.6 | Confident | 87 | Confident | 34 Ų | 34 | 25 Ų | 25 | 18% | 0.178 | 13% | 0.125 | C | C | . | . | trans | -109.6 | 75.2 | 175.2 | -64.2 | 176.9 | 0 | 0 | 0 | 109 | K563 V566 S604 L607 E611 S612 R613 | K563-L609 HydrophobicContact CB-CD2 4.46Å; K563-L609 HydrophobicContact CG-CD2 4.33Å; V566-L609 HydrophobicContact CB-CD1 3.69Å; V566-L609 HydrophobicContact CG1-CD1 3.63Å; S604-L609 PolarHBondContact O-N 3.43Å; L607-L609 HydrophobicContact CB-CD1 4.05Å; L607-L609 HydrophobicContact CB-CG 4Å; L607-L609 HydrophobicContact CD1-CD1 4.4Å; L607-L609 PolarHBondContact O-N 2.93Å; L609-E611 VanDerWaalsContact C-N 3.31Å; L609-E611 PolarHBondContact O-N 3.42Å; L609-S612 WeakPolarHBondContact CB-OG 3.42Å; L609-S612 PolarHBondContact O-N 3.47Å; L609-S612 PolarHBondContact O-OG 3.12Å; L609-S612 VanDerWaalsContact O-OG 3.12Å; L609-R613 PolarHBondContact O-N 2.93Å | ||
| 610 | D | 83.3 | Confident | 86.9 | Confident | 78 Ų | 78 | 24.6 Ų | 24.6 | 42% | 0.417 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -53.7 | -44.3 | -170.9 | -59.9 | -46 | 0 | 0 | 0 | 113 | S612 R613 D614 | D610-S612 PolarHBondContact O-N 3.38Å; D610-R613 PolarHBondContact O-N 2.98Å; D610-R613 IonicContact OD1-CZ 3.63Å; D610-R613 IonicContact OD1-NH1 2.84Å; D610-R613 IonicContact OD1-NH2 3.51Å; D610-R613 PolarHBondContact OD1-NH2 2.93Å; D610-D614 VanDerWaalsContact O-CB 3.24Å; D610-D614 WeakPolarHBondContact O-CB 3.37Å; D610-D614 VanDerWaalsContact O-CG 3.27Å; D610-D614 PolarHBondContact O-N 3.18Å |
| 611 | E | 83.1 | Confident | 86.6 | Confident | 108 Ų | 108 | 24.6 Ų | 24.6 | 51% | 0.505 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60 | -45.2 | -179.1 | -65 | -176.5 | 173 | 0 | 0 | 112.8 | L609 A615 L643 | L609-E611 VanDerWaalsContact C-N 3.31Å; L609-E611 PolarHBondContact O-N 3.42Å; E611-A615 VanDerWaalsContact O-CB 3.27Å; E611-A615 WeakPolarHBondContact O-CB 3.35Å; E611-A615 PolarHBondContact O-N 3Å; E611-A615 VanDerWaalsContact O-N 3.12Å; E611-L643 HydrophobicContact CG-CD1 4.33Å |
| 612 | S | 85.2 | Confident | 86.3 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74 | -42.2 | -178.5 | 66.9 | 0 | 0 | 0 | 0 | 111 | W570 S604 L609 D610 A615 F616 | W570-S612 VanDerWaalsContact CD2-CB 3.41Å; W570-S612 VanDerWaalsContact CG-CB 3.49Å; S604-S612 WeakPolarHBondContact CB-OG 3.26Å; S604-S612 PolarHBondContact OG-OG 2.58Å; L609-S612 WeakPolarHBondContact CB-OG 3.42Å; L609-S612 PolarHBondContact O-N 3.47Å; L609-S612 PolarHBondContact O-OG 3.12Å; L609-S612 VanDerWaalsContact O-OG 3.12Å; D610-S612 PolarHBondContact O-N 3.38Å; S612-A615 PolarHBondContact O-N 2.93Å; S612-F616 WeakPolarHBondContact O-CD2 3.27Å; S612-F616 PolarHBondContact O-N 2.69Å |
| 613 | R | 88.2 | Confident | 86 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.4 | -55.2 | 175.2 | 179.7 | -168.5 | 60.2 | -143.1 | -8.5 | 110.5 | I601 L609 D610 A615 F616 S617 V744 L745 D746 S747 | I601-R613 HydrophobicContact CG2-CG 4.32Å; L609-R613 PolarHBondContact O-N 2.93Å; D610-R613 PolarHBondContact O-N 2.98Å; D610-R613 IonicContact OD1-CZ 3.63Å; D610-R613 IonicContact OD1-NH1 2.84Å; D610-R613 IonicContact OD1-NH2 3.51Å; D610-R613 PolarHBondContact OD1-NH2 2.93Å; R613-A615 VanDerWaalsContact C-N 3.26Å; R613-A615 PolarHBondContact O-N 3.05Å; R613-F616 PolarHBondContact O-N 3.37Å; R613-S617 WeakPolarHBondContact O-CB 3.34Å; R613-S617 PolarHBondContact O-N 3.39Å; R613-S617 PolarHBondContact O-OG 3.04Å; R613-V744 WeakPolarHBondContact CD-O 3.38Å; R613-V744 PolarHBondContact NH1-O 3.28Å; R613-V744 VanDerWaalsContact NH1-O 3.12Å; R613-L745 PolarHBondContact NE-O 3.1Å; R613-D746 IonicContact CZ-OD2 2.63Å; R613-D746 IonicContact NH1-OD2 3.54Å; R613-D746 PolarHBondContact NH1-OD2 2.99Å; R613-S747 PolarHBondContact NH2-OG 3.12Å |
| 614 | D | 85.3 | Confident | 86 | Confident | 29 Ų | 29 | 28.4 Ų | 28.4 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -34.8 | -174.8 | -69.9 | 9.6 | 0 | 0 | 0 | 110.6 | D610 S617 I618 S747 S748 | D610-D614 VanDerWaalsContact O-CB 3.24Å; D610-D614 WeakPolarHBondContact O-CB 3.37Å; D610-D614 VanDerWaalsContact O-CG 3.27Å; D610-D614 PolarHBondContact O-N 3.18Å; D614-S617 PolarHBondContact O-N 2.81Å; D614-I618 WeakPolarHBondContact O-CB 3.22Å; D614-I618 WeakPolarHBondContact O-CD1 3.44Å; D614-I618 WeakPolarHBondContact O-CG1 3.47Å; D614-I618 PolarHBondContact O-N 3.28Å; D614-S747 VanDerWaalsContact CG-OG 3.3Å; D614-S747 PolarHBondContact OD1-OG 2.97Å; D614-S747 PolarHBondContact OD2-OG 3.4Å; D614-S748 WeakPolarHBondContact CA-OG 3.29Å; D614-S748 PolarHBondContact OD1-OG 2.68Å |
| 615 | A | 85.9 | Confident | 85.7 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 8% | 0.083 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65 | -45.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W570 L574 E611 S612 R613 I618 T619 | W570-A615 HydrophobicContact CE3-CB 4.45Å; W570-A615 HydrophobicContact CH2-CB 4.29Å; W570-A615 HydrophobicContact CZ3-CB 3.63Å; L574-A615 HydrophobicContact CD2-CB 3.7Å; E611-A615 VanDerWaalsContact O-CB 3.27Å; E611-A615 WeakPolarHBondContact O-CB 3.35Å; E611-A615 PolarHBondContact O-N 3Å; E611-A615 VanDerWaalsContact O-N 3.12Å; S612-A615 PolarHBondContact O-N 2.93Å; R613-A615 VanDerWaalsContact C-N 3.26Å; R613-A615 PolarHBondContact O-N 3.05Å; A615-I618 PolarHBondContact O-N 3.3Å; A615-T619 PolarHBondContact O-N 3.49Å; A615-T619 VanDerWaalsContact O-N 3.14Å; A615-T619 PolarHBondContact O-OG1 3.02Å |
| 616 | F | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 173.9 | -71.6 | -65.8 | 0 | 0 | 0 | 111.9 | W570 I573 L574 L597 M600 I601 S612 R613 T619 L620 | W570-F616 HydrophobicContact CB-CE2 3.78Å; W570-F616 HydrophobicContact CB-CZ 3.93Å; I573-F616 HydrophobicContact CG2-CE1 4.27Å; I573-F616 HydrophobicContact CG2-CZ 4.34Å; L574-F616 HydrophobicContact CB-CD1 4.26Å; L574-F616 HydrophobicContact CB-CE1 3.65Å; L574-F616 HydrophobicContact CB-CZ 4.09Å; L574-F616 HydrophobicContact CD1-CD1 3.57Å; L574-F616 HydrophobicContact CD1-CE1 3.84Å; L574-F616 HydrophobicContact CD1-CG 4.38Å; L574-F616 HydrophobicContact CG-CD1 4.43Å; L574-F616 HydrophobicContact CG-CE1 4.3Å; L597-F616 HydrophobicContact CD2-CD1 3.76Å; L597-F616 HydrophobicContact CD2-CE1 4.4Å; M600-F616 HydrophobicContact CB-CD1 3.98Å; M600-F616 HydrophobicContact CB-CD2 3.76Å; M600-F616 HydrophobicContact CB-CE1 3.83Å; M600-F616 HydrophobicContact CB-CE2 3.62Å; M600-F616 HydrophobicContact CB-CG 3.98Å; M600-F616 HydrophobicContact CB-CZ 3.67Å; M600-F616 HydrophobicContact CE-CE2 3.78Å; M600-F616 HydrophobicContact CE-CZ 3.75Å; M600-F616 HydrophobicContact CG-CE1 4.1Å; M600-F616 HydrophobicContact CG-CE2 4.28Å; M600-F616 HydrophobicContact CG-CZ 3.91Å; I601-F616 HydrophobicContact CD1-CB 4.22Å; I601-F616 HydrophobicContact CG1-CB 3.53Å; S612-F616 WeakPolarHBondContact O-CD2 3.27Å; S612-F616 PolarHBondContact O-N 2.69Å; R613-F616 PolarHBondContact O-N 3.37Å; F616-T619 PolarHBondContact O-N 3.06Å; F616-L620 WeakPolarHBondContact O-CB 3.38Å; F616-L620 PolarHBondContact O-N 3.21Å |
| 617 | S | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | R613 D614 L620 C621 S748 F752 | R613-S617 WeakPolarHBondContact O-CB 3.34Å; R613-S617 PolarHBondContact O-N 3.39Å; R613-S617 PolarHBondContact O-OG 3.04Å; D614-S617 PolarHBondContact O-N 2.81Å; S617-L620 PolarHBondContact O-N 2.85Å; S617-C621 WeakPolarHBondContact O-CB 3.32Å; S617-C621 PolarHBondContact O-N 2.78Å; S617-C621 PolarHBondContact O-SG 3.02Å; S617-S748 VanDerWaalsContact CB-OG 3.29Å; S617-S748 WeakPolarHBondContact CB-OG 3.47Å; S617-S748 PolarHBondContact OG-OG 2.94Å; S617-F752 WeakPolarHBondContact OG-CE2 3.25Å |
| 618 | I | 86.2 | Confident | 83.3 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 174.7 | -74.5 | 166.2 | 0 | 0 | 0 | 110.4 | D614 A615 C621 R622 L634 V644 I751 | D614-I618 WeakPolarHBondContact O-CB 3.22Å; D614-I618 WeakPolarHBondContact O-CD1 3.44Å; D614-I618 WeakPolarHBondContact O-CG1 3.47Å; D614-I618 PolarHBondContact O-N 3.28Å; A615-I618 PolarHBondContact O-N 3.3Å; I618-C621 PolarHBondContact O-N 3.1Å; I618-R622 WeakPolarHBondContact O-CB 3.42Å; I618-R622 PolarHBondContact O-N 2.77Å; I618-L634 HydrophobicContact CG2-CD1 4.19Å; I618-V644 HydrophobicContact CD1-CG2 4.46Å; I618-I751 HydrophobicContact CD1-CD1 4.23Å; I618-I751 HydrophobicContact CG1-CD1 3.69Å; I618-I751 HydrophobicContact CG1-CG1 4.38Å; I618-I751 HydrophobicContact CG1-CG2 4.4Å |
| 619 | T | 86 | Confident | 82.5 | Confident | 32 Ų | 32 | 27.6 Ų | 27.6 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -44 | 179.1 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | L574 L597 A615 F616 A623 | L574-T619 HydrophobicContact CD1-CG2 4.38Å; L597-T619 HydrophobicContact CD1-CG2 4.35Å; L597-T619 HydrophobicContact CD2-CG2 4.49Å; A615-T619 PolarHBondContact O-N 3.49Å; A615-T619 VanDerWaalsContact O-N 3.14Å; A615-T619 PolarHBondContact O-OG1 3.02Å; F616-T619 PolarHBondContact O-N 3.06Å; T619-A623 WeakPolarHBondContact O-CB 3.25Å; T619-A623 PolarHBondContact O-N 2.92Å; T619-A623 VanDerWaalsContact O-N 3.1Å |
| 620 | L | 90 | Very high | 81.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 176.9 | 178.9 | 62.9 | 0 | 0 | 0 | 112.1 | L594 L597 I601 F616 S617 A623 A624 A733 V734 T737 F752 | L594-L620 HydrophobicContact CD2-CD1 3.52Å; L597-L620 HydrophobicContact CD1-CD1 4.43Å; I601-L620 HydrophobicContact CD1-CB 4.23Å; I601-L620 HydrophobicContact CD1-CD2 3.59Å; F616-L620 WeakPolarHBondContact O-CB 3.38Å; F616-L620 PolarHBondContact O-N 3.21Å; S617-L620 PolarHBondContact O-N 2.85Å; L620-A623 WeakPolarHBondContact O-CB 3.31Å; L620-A623 PolarHBondContact O-N 2.97Å; L620-A624 PolarHBondContact O-N 2.96Å; L620-A733 HydrophobicContact CD1-CB 3.88Å; L620-V734 HydrophobicContact CD1-CG2 4.49Å; L620-V734 HydrophobicContact CD2-CG2 4.45Å; L620-V734 HydrophobicContact CG-CG2 3.9Å; L620-T737 HydrophobicContact CD2-CG2 4.35Å; L620-T737 WeakPolarHBondContact CD2-OG1 3.28Å; L620-F752 HydrophobicContact CD2-CE1 4.38Å; L620-F752 HydrophobicContact CD2-CZ 4.25Å |
| 621 | C | 87.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.9 | -34.9 | -179.8 | -71.8 | 0 | 0 | 0 | 0 | 112.5 | S617 I618 A623 A624 I751 T755 | S617-C621 WeakPolarHBondContact O-CB 3.32Å; S617-C621 PolarHBondContact O-N 2.78Å; S617-C621 PolarHBondContact O-SG 3.02Å; I618-C621 PolarHBondContact O-N 3.1Å; C621-A623 VanDerWaalsContact C-N 3.3Å; C621-A623 PolarHBondContact O-N 2.6Å; C621-A624 PolarHBondContact O-N 2.93Å; C621-I751 HydrophobicContact CB-CG2 3.66Å; C621-T755 HydrophobicContact CB-CG2 4.27Å; C621-T755 WeakPolarHBondContact CB-OG1 3.38Å |
| 622 | R | 83.5 | Confident | 78.6 | Confident | 83 Ų | 83 | 25.3 Ų | 25.3 | 31% | 0.313 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 171.5 | -171.1 | 174 | 169.4 | -172.9 | -6.4 | 111.7 | I618 A624 L625 L634 F651 | I618-R622 WeakPolarHBondContact O-CB 3.42Å; I618-R622 PolarHBondContact O-N 2.77Å; R622-A624 PolarHBondContact O-N 2.86Å; R622-L625 PolarHBondContact O-N 3.45Å; R622-L625 VanDerWaalsContact O-O 3.12Å; R622-L634 HydrophobicContact CB-CD1 3.46Å; R622-L634 VanDerWaalsContact CB-CD1 3.46Å; R622-L634 HydrophobicContact CG-CD1 3.93Å; R622-F651 VanDerWaalsContact NH2-CZ 3.25Å |
| 623 | A | 83.9 | Confident | 77.2 | Confident | 8 Ų | 8 | 26.3 Ų | 26.3 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -22.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | F581 T619 L620 C621 L625 H727 A730 | F581-A623 HydrophobicContact CD1-CB 4.13Å; F581-A623 HydrophobicContact CE1-CB 3.38Å; F581-A623 HydrophobicContact CE2-CB 4.35Å; F581-A623 HydrophobicContact CZ-CB 3.52Å; T619-A623 WeakPolarHBondContact O-CB 3.25Å; T619-A623 PolarHBondContact O-N 2.92Å; T619-A623 VanDerWaalsContact O-N 3.1Å; L620-A623 WeakPolarHBondContact O-CB 3.31Å; L620-A623 PolarHBondContact O-N 2.97Å; C621-A623 VanDerWaalsContact C-N 3.3Å; C621-A623 PolarHBondContact O-N 2.6Å; A623-L625 VanDerWaalsContact C-N 3.32Å; A623-H727 PolarHBondContact O-CD2 3.24Å; A623-A730 VanDerWaalsContact C-CB 3.41Å; A623-A730 HydrophobicContact CB-CB 3.8Å; A623-A730 VanDerWaalsContact O-CB 3.3Å; A623-A730 WeakPolarHBondContact O-CB 2.91Å |
| 624 | A | 86.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L620 C621 R622 A730 A731 V734 T755 | L620-A624 PolarHBondContact O-N 2.96Å; C621-A624 PolarHBondContact O-N 2.93Å; R622-A624 PolarHBondContact O-N 2.86Å; A624-A730 HydrophobicContact CB-CB 4.14Å; A624-A731 HydrophobicContact CB-CB 4.21Å; A624-V734 HydrophobicContact CB-CG2 3.9Å; A624-T755 HydrophobicContact CB-CG2 4.07Å |
| 625 | L | 83.4 | Confident | 74.2 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -122.3 | 147.1 | -173.1 | -59.3 | 176.1 | 0 | 0 | 0 | 111.2 | R622 A623 F629 L633 T755 H758 M762 | R622-L625 PolarHBondContact O-N 3.45Å; R622-L625 VanDerWaalsContact O-O 3.12Å; A623-L625 VanDerWaalsContact C-N 3.32Å; L625-F629 HydrophobicContact CB-CB 4.49Å; L625-L633 HydrophobicContact CD1-CD2 3.56Å; L625-T755 HydrophobicContact CD1-CG2 4.22Å; L625-T755 HydrophobicContact CD2-CG2 4.15Å; L625-T755 HydrophobicContact CG-CG2 4.09Å; L625-H758 HydrophobicContact CD2-CB 3.93Å; L625-M762 HydrophobicContact CD2-CE 3.52Å |
| 626 | P | 74.6 | Confident | 72.7 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | trans | -55.4 | 149.2 | 169.9 | -22.2 | 31.6 | 0 | 0 | 0 | 112.3 | S628 F629 G630 I721 L723 M762 | P626-S628 PolarHBondContact O-N 2.85Å; P626-S628 VanDerWaalsContact O-N 3.14Å; P626-F629 HydrophobicContact CB-CD2 4.3Å; P626-F629 HydrophobicContact CG-CD2 4.32Å; P626-F629 PolarHBondContact O-N 3.2Å; P626-G630 PolarHBondContact O-N 3.32Å; P626-I721 HydrophobicContact CG-CG2 3.78Å; P626-L723 HydrophobicContact CG-CD2 3.81Å; P626-M762 HydrophobicContact CG-SD 4.24Å | ||
| 627 | S | 66.6 | Low | 70.9 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.7 | -35.1 | -173.7 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | R631 D658 | S627-R631 WeakPolarHBondContact O-CG 3.37Å; S627-R631 PolarHBondContact O-N 3.21Å; S627-D658 PolarHBondContact OG-OD1 3.03Å |
| 628 | S | 61.6 | Low | 69 | Low | 68 Ų | 68 | 36 Ų | 36 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.4 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | P626 | P626-S628 PolarHBondContact O-N 2.85Å; P626-S628 VanDerWaalsContact O-N 3.14Å |
| 629 | F | 64.3 | Low | 67.4 | Low | 53 Ų | 53 | 44.8 Ų | 44.8 | 23% | 0.232 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.9 | -46.1 | 176.6 | -75.8 | -92.1 | 0 | 0 | 0 | 111.5 | L625 P626 R631 S632 L633 I721 W761 | L625-F629 HydrophobicContact CB-CB 4.49Å; P626-F629 HydrophobicContact CB-CD2 4.3Å; P626-F629 HydrophobicContact CG-CD2 4.32Å; P626-F629 PolarHBondContact O-N 3.2Å; F629-R631 VanDerWaalsContact C-N 3.33Å; F629-R631 PolarHBondContact O-N 3.46Å; F629-S632 PolarHBondContact O-N 3.41Å; F629-L633 VanDerWaalsContact O-CB 3.29Å; F629-L633 WeakPolarHBondContact O-CB 3.23Å; F629-L633 PolarHBondContact O-N 3.12Å; F629-I721 HydrophobicContact CE2-CD1 3.74Å; F629-I721 HydrophobicContact CE2-CG1 4.26Å; F629-I721 HydrophobicContact CZ-CD1 3.92Å; F629-W761 HydrophobicContact CE1-CH2 4.4Å; F629-W761 AromaticContact CE1-CZ3 3.82Å; F629-W761 HydrophobicContact CE1-CZ3 3.82Å; F629-W761 HydrophobicContact CZ-CH2 4.18Å; F629-W761 AromaticContact CZ-CZ3 3.81Å; F629-W761 HydrophobicContact CZ-CZ3 3.81Å |
| 630 | G | 57.8 | Low | 65.4 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -35.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P626 | P626-G630 PolarHBondContact O-N 3.32Å |
| 631 | R | 57.1 | Low | 63.1 | Low | 98 Ų | 98 | 52 Ų | 52 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.9 | -44.3 | 177.2 | -67.8 | -175.1 | -154.9 | -156.9 | 14.2 | 112.6 | S627 F629 D658 | S627-R631 WeakPolarHBondContact O-CG 3.37Å; S627-R631 PolarHBondContact O-N 3.21Å; F629-R631 VanDerWaalsContact C-N 3.33Å; F629-R631 PolarHBondContact O-N 3.46Å; R631-D658 IonicContact CZ-OD1 2.85Å; R631-D658 IonicContact CZ-OD2 2.66Å; R631-D658 IonicContact NH2-OD1 3.82Å; R631-D658 PolarHBondContact NH2-OD1 3.21Å; R631-D658 IonicContact NH2-OD2 3.96Å; R631-D658 PolarHBondContact NH2-OD2 3.43Å |
| 632 | S | 55.8 | Low | 61.2 | Low | 73 Ų | 73 | 55.6 Ų | 55.6 | 51% | 0.51 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.8 | -42.7 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | F629 | F629-S632 PolarHBondContact O-N 3.41Å |
| 633 | L | 56.7 | Low | 59.2 | Low | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.8 | -35.5 | -169.4 | -168.5 | 65 | 0 | 0 | 0 | 114.5 | L625 F629 T636 T754 H758 | L625-L633 HydrophobicContact CD1-CD2 3.56Å; F629-L633 VanDerWaalsContact O-CB 3.29Å; F629-L633 WeakPolarHBondContact O-CB 3.23Å; F629-L633 PolarHBondContact O-N 3.12Å; L633-T636 PolarHBondContact O-OG1 3.44Å; L633-T754 HydrophobicContact CD1-CG2 3.54Å; L633-T754 HydrophobicContact CD2-CG2 3.9Å; L633-T754 HydrophobicContact CG-CG2 3.8Å; L633-H758 WeakPolarHBondContact CD1-CE1 3.45Å; L633-H758 WeakPolarHBondContact CD2-ND1 3.48Å |
| 634 | L | 56 | Low | 57.4 | Low | 22 Ų | 22 | 57.1 Ų | 57.1 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -88.4 | -17.4 | -175.1 | -66.1 | 164.3 | 0 | 0 | 0 | 112.6 | I618 R622 T636 I751 | I618-L634 HydrophobicContact CG2-CD1 4.19Å; R622-L634 HydrophobicContact CB-CD1 3.46Å; R622-L634 VanDerWaalsContact CB-CD1 3.46Å; R622-L634 HydrophobicContact CG-CD1 3.93Å; L634-T636 VanDerWaalsContact C-N 3.27Å; L634-T636 PolarHBondContact O-N 2.96Å; L634-I751 HydrophobicContact CD2-CG2 3.68Å |
| 635 | A | 54.4 | Low | 55.5 | Low | 48 Ų | 48 | 60.8 Ų | 60.8 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H641 | A635-H641 PolarHBondContact O-NE2 3.45Š|
| 636 | T | 53.9 | Low | 53.5 | Low | 103 Ų | 103 | 67.3 Ų | 67.3 | 63% | 0.632 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -28 | -174.9 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | L633 L634 | L633-T636 PolarHBondContact O-OG1 3.44Å; L634-T636 VanDerWaalsContact C-N 3.27Å; L634-T636 PolarHBondContact O-N 2.96Å |
| 637 | H | 54.2 | Low | 51.9 | Low | 40 Ų | 40 | 69.4 Ų | 69.4 | 19% | 0.185 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -8.7 | -166.7 | -69.9 | -49.8 | 0 | 0 | 0 | 115.4 | R869 D873 | H637-R869 PolarHBondContact ND1-NH2 2.89Å; H637-D873 IonicContact CE1-OD2 3.02Å |
| 638 | S | 49.5 | Very low | 50.6 | Low | 30 Ų | 30 | 69.9 Ų | 69.9 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | trans | -93.8 | 118.9 | 176.3 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | N640 | S638-N640 PolarHBondContact O-N 3.49Å; S638-N640 PolarHBondContact OG-N 2.89Å | ||
| 639 | K | 51.3 | Low | 49.3 | Very low | 204 Ų | 204 | 72 Ų | 72 | 89% | 0.887 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70.3 | -17 | 165.3 | -74.1 | -176.1 | 176.4 | 178.7 | 0 | 112.5 | H641 | K639-H641 PolarHBondContact O-N 3.36Š|
| 640 | N | 44.4 | Very low | 47.9 | Very low | 74 Ų | 74 | 75.3 Ų | 75.3 | 40% | 0.396 | 42% | 0.418 | S | S | . | . | trans | -100.3 | 46.9 | -172.7 | -64.2 | -3.6 | 0 | 0 | 0 | 111.8 | S638 S642 L643 | S638-N640 PolarHBondContact O-N 3.49Å; S638-N640 PolarHBondContact OG-N 2.89Å; N640-S642 PolarHBondContact O-N 3.08Å; N640-S642 VanDerWaalsContact O-N 3.14Å; N640-L643 PolarHBondContact O-N 2.83Å | ||
| 641 | H | 41.4 | Very low | 47 | Very low | 110 Ų | 110 | 79.4 Ų | 79.4 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.4 | -28.4 | -178.1 | -121.3 | -82.6 | 0 | 0 | 0 | 113.8 | A635 K639 L643 S645 | A635-H641 PolarHBondContact O-NE2 3.45Å; K639-H641 PolarHBondContact O-N 3.36Å; H641-L643 PolarHBondContact O-N 3.24Å; H641-S645 WeakPolarHBondContact O-CB 3.19Å; H641-S645 PolarHBondContact O-N 2.88Å; H641-S645 PolarHBondContact O-OG 3.29Å |
| 642 | S | 48.3 | Very low | 45.9 | Very low | 74 Ų | 74 | 82.4 Ų | 82.4 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | -178 | 48.9 | 0 | 0 | 0 | 0 | 114.2 | N640 S645 Q646 | N640-S642 PolarHBondContact O-N 3.08Å; N640-S642 VanDerWaalsContact O-N 3.14Å; S642-S645 PolarHBondContact O-OG 3.14Å; S642-Q646 WeakPolarHBondContact O-CB 3.41Å; S642-Q646 WeakPolarHBondContact O-CG 3.29Å; S642-Q646 PolarHBondContact O-N 3.15Å |
| 643 | L | 42.2 | Very low | 44.8 | Very low | 52 Ų | 52 | 82.7 Ų | 82.7 | 27% | 0.272 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -84.8 | -43.1 | -174 | -73.7 | 170.7 | 0 | 0 | 0 | 112.7 | E611 N640 H641 S645 Q646 L647 | E611-L643 HydrophobicContact CG-CD1 4.33Å; N640-L643 PolarHBondContact O-N 2.83Å; H641-L643 PolarHBondContact O-N 3.24Å; L643-S645 VanDerWaalsContact C-N 3.28Å; L643-S645 PolarHBondContact O-N 3.13Å; L643-Q646 PolarHBondContact O-N 2.9Å; L643-Q646 VanDerWaalsContact O-N 3.15Å; L643-L647 WeakPolarHBondContact O-CB 3.38Å; L643-L647 WeakPolarHBondContact O-CG 3.41Å; L643-L647 PolarHBondContact O-N 2.68Å |
| 644 | V | 45.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 85.4 Ų | 85.4 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 179.7 | -178 | 0 | 0 | 0 | 0 | 111.3 | I618 | I618-V644 HydrophobicContact CD1-CG2 4.46Å |
| 645 | S | 45.5 | Very low | 42.5 | Very low | 78 Ų | 78 | 90.1 Ų | 90.1 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.4 | -30.2 | 174.2 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | H641 S642 L643 | H641-S645 WeakPolarHBondContact O-CB 3.19Å; H641-S645 PolarHBondContact O-N 2.88Å; H641-S645 PolarHBondContact O-OG 3.29Å; S642-S645 PolarHBondContact O-OG 3.14Å; L643-S645 VanDerWaalsContact C-N 3.28Å; L643-S645 PolarHBondContact O-N 3.13Å |
| 646 | Q | 41.7 | Very low | 41.8 | Very low | 140 Ų | 140 | 94.6 Ų | 94.6 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.9 | -34.6 | 175.3 | -77.9 | 177.5 | -7.9 | 0 | 0 | 113.4 | S642 L643 S648 | S642-Q646 WeakPolarHBondContact O-CB 3.41Å; S642-Q646 WeakPolarHBondContact O-CG 3.29Å; S642-Q646 PolarHBondContact O-N 3.15Å; L643-Q646 PolarHBondContact O-N 2.9Å; L643-Q646 VanDerWaalsContact O-N 3.15Å; Q646-S648 PolarHBondContact O-N 3.37Å |
| 647 | L | 40.6 | Very low | 41 | Very low | 54 Ų | 54 | 93 Ų | 93 | 28% | 0.283 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -75.3 | 2.1 | -175.2 | -73.8 | 166.1 | 0 | 0 | 0 | 114.7 | W570 C571 L643 | W570-L647 HydrophobicContact CH2-CD1 3.65Å; W570-L647 HydrophobicContact CZ3-CD1 3.86Å; C571-L647 HydrophobicContact CB-CD2 4.08Å; L643-L647 WeakPolarHBondContact O-CB 3.38Å; L643-L647 WeakPolarHBondContact O-CG 3.41Å; L643-L647 PolarHBondContact O-N 2.68Å |
| 648 | S | 39.5 | Very low | 40.4 | Very low | 49 Ų | 49 | 94.4 Ų | 94.4 | 34% | 0.343 | 52% | 0.524 | S | S | . | . | trans | -156.6 | 82.2 | 175.5 | -71.8 | 0 | 0 | 0 | 0 | 113.4 | Q646 N650 F651 | Q646-S648 PolarHBondContact O-N 3.37Å; S648-N650 PolarHBondContact O-N 2.96Å; S648-F651 PolarHBondContact O-N 3.26Å | ||
| 649 | P | 35.6 | Very low | 40.2 | Very low | 112 Ų | 112 | 98.5 Ų | 98.5 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -57.5 | -23.4 | -178.4 | -26.9 | 35.3 | 0 | 0 | 0 | 115.6 | F651 | P649-F651 PolarHBondContact O-N 2.87Š|
| 650 | N | 35.1 | Very low | 39.9 | Very low | 124 Ų | 124 | 90 Ų | 90 | 66% | 0.663 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -78.7 | -8.8 | -173.3 | -72 | -13.9 | 0 | 0 | 0 | 114.9 | S648 N652 | S648-N650 PolarHBondContact O-N 2.96Å; N650-N652 PolarHBondContact O-N 2.92Å |
| 651 | F | 37.2 | Very low | 40 | Very low | 86 Ų | 86 | 88.8 Ų | 88.8 | 38% | 0.377 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -78.2 | -12.6 | -174.3 | -99.4 | -62.5 | 0 | 0 | 0 | 116 | R622 S648 P649 S653 | R622-F651 VanDerWaalsContact NH2-CZ 3.25Å; S648-F651 PolarHBondContact O-N 3.26Å; P649-F651 PolarHBondContact O-N 2.87Å; F651-S653 VanDerWaalsContact C-N 3.33Å |
| 652 | N | 34.9 | Very low | 40.3 | Very low | 161 Ų | 161 | 87.4 Ų | 87.4 | 86% | 0.861 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -83.9 | -2.5 | 177.1 | -77.7 | -11.4 | 0 | 0 | 0 | 114 | N650 A654 | N650-N652 PolarHBondContact O-N 2.92Å; N652-A654 PolarHBondContact O-N 3.22Å |
| 653 | S | 32.2 | Very low | 40.4 | Very low | 79 Ų | 79 | 91.1 Ų | 91.1 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | trans | -79.6 | 95.9 | 172.4 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | F651 N655 | F651-S653 VanDerWaalsContact C-N 3.33Å; S653-N655 PolarHBondContact O-N 3.15Å | ||
| 654 | A | 33.8 | Very low | 41 | Very low | 83 Ų | 83 | 89.2 Ų | 89.2 | 69% | 0.686 | 49% | 0.486 | S | S | * | . | trans | -71.3 | 8.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N652 | N652-A654 PolarHBondContact O-N 3.22Š| ||
| 655 | N | 32 | Very low | 41.6 | Very low | 121 Ų | 121 | 88.2 Ų | 88.2 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -118.9 | 126.7 | -173 | -65.8 | -16.5 | 0 | 0 | 0 | 112.4 | S653 H657 | S653-N655 PolarHBondContact O-N 3.15Å; N655-H657 PolarHBondContact O-N 2.83Å |
| 656 | N | 39.1 | Very low | 42.2 | Very low | 142 Ų | 142 | 86 Ų | 86 | 76% | 0.759 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 70 | 19.6 | 160.5 | -54.3 | 5.1 | 0 | 0 | 0 | 119.5 | ||
| 657 | H | 36.2 | Very low | 43.2 | Very low | 68 Ų | 68 | 79.9 Ų | 79.9 | 32% | 0.315 | 45% | 0.446 | S | S | . | . | trans | -90.9 | -16.5 | 171.5 | -101.7 | -100.9 | 0 | 0 | 0 | 114.9 | E582 N655 D659 I660 | E582-H657 IonicContact OE1-CE1 2.61Å; E582-H657 IonicContact OE1-ND1 3.26Å; E582-H657 PolarHBondContact OE1-ND1 2.69Å; N655-H657 PolarHBondContact O-N 2.83Å; H657-D659 PolarHBondContact O-N 2.63Å; H657-I660 WeakPolarHBondContact O-CB 3.27Å; H657-I660 WeakPolarHBondContact O-CG1 3.49Å; H657-I660 PolarHBondContact O-N 2.76Å | ||
| 658 | D | 42 | Very low | 44.5 | Very low | 70 Ų | 70 | 77.7 Ų | 77.7 | 37% | 0.374 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -73.2 | -27 | -171.3 | -69.3 | -70.8 | 0 | 0 | 0 | 114.1 | S627 R631 I660 | S627-D658 PolarHBondContact OG-OD1 3.03Å; R631-D658 IonicContact CZ-OD1 2.85Å; R631-D658 IonicContact CZ-OD2 2.66Å; R631-D658 IonicContact NH2-OD1 3.82Å; R631-D658 PolarHBondContact NH2-OD1 3.21Å; R631-D658 IonicContact NH2-OD2 3.96Å; R631-D658 PolarHBondContact NH2-OD2 3.43Å; D658-I660 PolarHBondContact O-N 2.94Å |
| 659 | D | 45.9 | Very low | 45.6 | Very low | 117 Ų | 117 | 75.8 Ų | 75.8 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -59.8 | -14.6 | 174.4 | -63.4 | 3.7 | 0 | 0 | 0 | 114.3 | H657 | H657-D659 PolarHBondContact O-N 2.63Š|
| 660 | I | 44.4 | Very low | 46.9 | Very low | 24 Ų | 24 | 70.6 Ų | 70.6 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -76.6 | -34.2 | -171.3 | -60.2 | 176 | 0 | 0 | 0 | 111.7 | Y479 H657 D658 | Y479-I660 HydrophobicContact CE1-CG2 4.45Å; H657-I660 WeakPolarHBondContact O-CB 3.27Å; H657-I660 WeakPolarHBondContact O-CG1 3.49Å; H657-I660 PolarHBondContact O-N 2.76Å; D658-I660 PolarHBondContact O-N 2.94Å |
| 661 | F | 47.7 | Very low | 48 | Very low | 49 Ų | 49 | 65.8 Ų | 65.8 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -72.5 | -29 | -179.7 | -101.4 | -95.2 | 0 | 0 | 0 | 112.9 | F581 R663 S664 H727 | F581-F661 HydrophobicContact CE1-CE1 4.49Å; F581-F661 HydrophobicContact CE1-CZ 4.27Å; F661-R663 PolarHBondContact O-N 3.01Å; F661-R663 VanDerWaalsContact O-N 3.13Å; F661-S664 PolarHBondContact O-N 2.87Å; F661-S664 PolarHBondContact O-OG 3.35Å; F661-H727 AromaticContact CD1-NE2 3.29Å; F661-H727 VanDerWaalsContact CD1-NE2 3.29Å; F661-H727 WeakPolarHBondContact CD1-NE2 3.36Å; F661-H727 AromaticContact CE1-NE2 3.58Å |
| 662 | E | 47.1 | Very low | 48.6 | Very low | 82 Ų | 82 | 65.9 Ų | 65.9 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -67.6 | -12.7 | -174.6 | -59.1 | -160.1 | 145 | 0 | 0 | 114.7 | ||
| 663 | R | 49.2 | Very low | 49.2 | Very low | 152 Ų | 152 | 59 Ų | 59 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -83.9 | -13.1 | -179.6 | -64.7 | -168.9 | -178.8 | -159.7 | -0.1 | 114.9 | Y479 F661 | Y479-R663 VanDerWaalsContact CZ-NH1 3.34Å; Y479-R663 PolarHBondContact OH-NH1 3.01Å; F661-R663 PolarHBondContact O-N 3.01Å; F661-R663 VanDerWaalsContact O-N 3.13Å |
| 664 | S | 56.1 | Low | 49.6 | Very low | 11 Ų | 11 | 61.4 Ų | 61.4 | 8% | 0.077 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -74.5 | 133.9 | 161.1 | 43.4 | 0 | 0 | 0 | 0 | 109.5 | F661 I666 T724 K726 | F661-S664 PolarHBondContact O-N 2.87Å; F661-S664 PolarHBondContact O-OG 3.35Å; S664-I666 PolarHBondContact O-N 2.88Å; S664-T724 VanDerWaalsContact O-CG2 3.3Å; S664-T724 WeakPolarHBondContact O-CG2 3.33Å; S664-T724 VanDerWaalsContact OG-CB 3.22Å; S664-T724 WeakPolarHBondContact OG-CB 3.4Å; S664-T724 WeakPolarHBondContact OG-CG2 3.29Å; S664-T724 PolarHBondContact OG-OG1 2.95Å; S664-K726 WeakPolarHBondContact OG-CD 3.5Å |
| 665 | G | 57 | Low | 50.2 | Low | 50 Ų | 50 | 60.8 Ų | 60.8 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | trans | -47.2 | 124.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A667 T724 V725 | G665-A667 PolarHBondContact O-N 3.48Å; G665-T724 WeakPolarHBondContact O-CA 3.2Å; G665-V725 PolarHBondContact O-N 2.84Å; G665-V725 VanDerWaalsContact O-N 3.12Å | ||
| 666 | I | 58.6 | Low | 51.1 | Low | 32 Ų | 32 | 61.6 Ų | 61.6 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 109.7 | 174.7 | -62 | 166.1 | 0 | 0 | 0 | 106.9 | S664 V669 V686 L722 | S664-I666 PolarHBondContact O-N 2.88Å; I666-V669 HydrophobicContact CG2-CG2 3.97Å; I666-V686 HydrophobicContact CD1-CG1 3.85Å; I666-L722 HydrophobicContact CD1-CD1 4.08Å; I666-L722 HydrophobicContact CD1-CD2 4.38Å; I666-L722 HydrophobicContact CG2-CD2 4.16Å |
| 667 | A | 62.6 | Low | 51.4 | Low | 12 Ų | 12 | 58 Ų | 58 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G665 L723 V725 L728 | G665-A667 PolarHBondContact O-N 3.48Å; A667-L723 PolarHBondContact N-O 2.97Å; A667-V725 HydrophobicContact CB-CG2 4.03Å; A667-L728 HydrophobicContact CB-CD1 3.71Å |
| 668 | L | 67.5 | Low | 52.2 | Low | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.3 | -174.1 | -71.6 | 177.1 | 0 | 0 | 0 | 111.4 | I680 L723 L763 V834 | L668-I680 HydrophobicContact CD1-CG2 4.09Å; L668-I680 HydrophobicContact CD2-CG2 3.37Å; L668-I680 HydrophobicContact CG-CG2 4.22Å; L668-L723 HydrophobicContact CB-CB 4.2Å; L668-L723 PolarHBondContact N-O 3.22Å; L668-L723 VanDerWaalsContact N-O 3.09Å; L668-L723 PolarHBondContact O-N 2.89Å; L668-L763 HydrophobicContact CD1-CD2 3.76Å; L668-V834 HydrophobicContact CD1-CG1 4.25Å; L668-V834 HydrophobicContact CD2-CG1 3.52Å; L668-V834 HydrophobicContact CG-CG1 3.97Å |
| 669 | V | 63.7 | Low | 52.8 | Low | 8 Ų | 8 | 58 Ų | 58 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109.8 | 166.3 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | I666 N681 I689 N720 L722 | I666-V669 HydrophobicContact CG2-CG2 3.97Å; V669-N681 PolarHBondContact N-O 3.32Å; V669-N681 VanDerWaalsContact N-O 3.11Å; V669-N681 PolarHBondContact O-N 3.18Å; V669-I689 HydrophobicContact CG1-CD1 4.23Å; V669-N720 HydrophobicContact CG1-CB 4.03Å; V669-L722 HydrophobicContact CB-CD2 4.37Å; V669-L722 HydrophobicContact CG1-CD2 4.08Å; V669-L722 HydrophobicContact CG2-CD2 3.88Å |
| 670 | I | 63.4 | Low | 53.5 | Low | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 110.6 | 173.9 | -69.7 | 159.1 | 0 | 0 | 0 | 108.3 | V678 N720 I721 L723 M762 | I670-V678 HydrophobicContact CG2-CG1 3.84Å; I670-N720 CarbonylContact O-C 3.54Å; I670-N720 WeakPolarHBondContact O-CA 3.46Å; I670-I721 HydrophobicContact CB-CB 4.11Å; I670-I721 HydrophobicContact CG2-CB 4.41Å; I670-I721 PolarHBondContact N-O 2.89Å; I670-I721 PolarHBondContact O-N 3.45Å; I670-L723 HydrophobicContact CD1-CD1 3.44Å; I670-L723 VanDerWaalsContact CD1-CD1 3.44Å; I670-L723 HydrophobicContact CD1-CG 4.07Å; I670-M762 HydrophobicContact CD1-CB 4.05Å; I670-M762 WeakPolarHBondContact CD1-O 3.37Å |
| 671 | S | 58 | Low | 54.1 | Low | 23 Ų | 23 | 57.2 Ų | 57.2 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.5 | 172.3 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | H679 N681 N720 | S671-H679 PolarHBondContact N-O 3.45Å; S671-H679 PolarHBondContact O-N 3.39Å; S671-H679 WeakPolarHBondContact OG-CB 3.24Å; S671-H679 PolarHBondContact OG-O 2.84Å; S671-N681 PolarHBondContact OG-ND2 3.07Å; S671-N720 WeakPolarHBondContact CA-OD1 3.48Å; S671-N720 VanDerWaalsContact CB-OD1 3.3Å; S671-N720 WeakPolarHBondContact CB-OD1 3.49Å |
| 672 | Q | 48.9 | Very low | 54.6 | Low | 88 Ų | 88 | 57.4 Ų | 57.4 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 113.8 | 173 | -67.1 | -177.6 | -5.8 | 0 | 0 | 109.8 | ||
| 673 | G | 48.5 | Very low | 54.9 | Low | 18 Ų | 18 | 56.2 Ų | 56.2 | 19% | 0.186 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 164.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G675 H676 T677 | G673-G675 PolarHBondContact O-N 2.93Å; G673-H676 PolarHBondContact O-N 3.31Å; G673-T677 WeakPolarHBondContact CA-OG1 3.48Å; G673-T677 PolarHBondContact N-O 2.72Å; G673-T677 PolarHBondContact O-N 3.47Å |
| 674 | P | 40.7 | Very low | 54.9 | Low | 128 Ų | 128 | 54.5 Ų | 54.5 | 83% | 0.831 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 139.7 | 172 | 24.5 | -32.9 | 0 | 0 | 0 | 110.8 | T677 | P674-T677 PolarHBondContact O-OG1 3Š|
| 675 | G | 46.3 | Very low | 54.4 | Low | 71 Ų | 71 | 59.2 Ų | 59.2 | 73% | 0.732 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 30.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G673 T677 | G673-G675 PolarHBondContact O-N 2.93Å; G675-T677 PolarHBondContact O-N 2.86Å; G675-T677 VanDerWaalsContact O-N 3.1Å |
| 676 | H | 49.4 | Very low | 53.9 | Low | 138 Ų | 138 | 59 Ų | 59 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 23.7 | -179.5 | -61.2 | -71.7 | 0 | 0 | 0 | 114.8 | G673 V678 E883 | G673-H676 PolarHBondContact O-N 3.31Å; H676-V678 PolarHBondContact O-N 3.3Å; H676-E883 IonicContact CD2-OE2 2.61Å |
| 677 | T | 45.5 | Very low | 53.1 | Low | 67 Ų | 67 | 61.3 Ų | 61.3 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 107.2 | 179.6 | 45 | 0 | 0 | 0 | 0 | 110.5 | G673 P674 G675 H679 | G673-T677 WeakPolarHBondContact CA-OG1 3.48Å; G673-T677 PolarHBondContact N-O 2.72Å; G673-T677 PolarHBondContact O-N 3.47Å; P674-T677 PolarHBondContact O-OG1 3Å; G675-T677 PolarHBondContact O-N 2.86Å; G675-T677 VanDerWaalsContact O-N 3.1Å; T677-H679 PolarHBondContact O-N 3.03Å |
| 678 | V | 53.7 | Low | 52.2 | Low | 31 Ų | 31 | 63.5 Ų | 63.5 | 19% | 0.188 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 102.3 | 179.5 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | I670 H676 I680 | I670-V678 HydrophobicContact CG2-CG1 3.84Å; H676-V678 PolarHBondContact O-N 3.3Å; V678-I680 HydrophobicContact CG1-CG1 4.15Å |
| 679 | H | 53.9 | Low | 51 | Low | 106 Ų | 106 | 65.2 Ų | 65.2 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.7 | 172.1 | -86.7 | -87.6 | 0 | 0 | 0 | 110.2 | S671 T677 N681 | S671-H679 PolarHBondContact N-O 3.45Å; S671-H679 PolarHBondContact O-N 3.39Å; S671-H679 WeakPolarHBondContact OG-CB 3.24Å; S671-H679 PolarHBondContact OG-O 2.84Å; T677-H679 PolarHBondContact O-N 3.03Å; H679-N681 PolarHBondContact O-N 3.19Å |
| 680 | I | 60.3 | Low | 50 | Low | 55 Ų | 55 | 68.6 Ų | 68.6 | 28% | 0.282 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 98.4 | 173.8 | -57.3 | 178.9 | 0 | 0 | 0 | 107.7 | L668 V678 L763 N764 | L668-I680 HydrophobicContact CD1-CG2 4.09Å; L668-I680 HydrophobicContact CD2-CG2 3.37Å; L668-I680 HydrophobicContact CG-CG2 4.22Å; V678-I680 HydrophobicContact CG1-CG1 4.15Å; I680-L763 WeakPolarHBondContact CD1-O 3.36Å; I680-N764 HydrophobicContact CD1-CB 4.49Å |
| 681 | N | 58.8 | Low | 48.7 | Very low | 69 Ų | 69 | 75.4 Ų | 75.4 | 37% | 0.369 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.5 | -178.2 | -74.2 | -46.9 | 0 | 0 | 0 | 111.3 | V669 S671 H679 | V669-N681 PolarHBondContact N-O 3.32Å; V669-N681 VanDerWaalsContact N-O 3.11Å; V669-N681 PolarHBondContact O-N 3.18Å; S671-N681 PolarHBondContact OG-ND2 3.07Å; H679-N681 PolarHBondContact O-N 3.19Å |
| 682 | P | 57.6 | Low | 47.7 | Very low | 54 Ų | 54 | 80.9 Ų | 80.9 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | trans | -66 | 151 | 166.3 | 29.4 | -33.7 | 0 | 0 | 0 | 110.2 | T684 L831 | P682-T684 HydrophobicContact CG-CG2 4.25Å; P682-T684 PolarHBondContact O-N 3.39Å; P682-L831 HydrophobicContact CB-CD1 3.81Å; P682-L831 HydrophobicContact CG-CD1 3.83Å | ||
| 683 | P | 53.6 | Low | 47 | Very low | 56 Ų | 56 | 81.3 Ų | 81.3 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | trans | -72.9 | 83.4 | -176.2 | 30.9 | -37.4 | 0 | 0 | 0 | 112 | V686 | P683-V686 HydrophobicContact CB-CG2 3.79Š| ||
| 684 | T | 48.3 | Very low | 46.2 | Very low | 117 Ų | 117 | 84.6 Ų | 84.6 | 72% | 0.718 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -97.9 | -11.5 | -178.5 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | P682 | P682-T684 HydrophobicContact CG-CG2 4.25Å; P682-T684 PolarHBondContact O-N 3.39Å |
| 685 | N | 47.1 | Very low | 45.4 | Very low | 109 Ų | 109 | 85 Ų | 85 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | trans | -156.5 | 67.8 | 175.3 | -110.4 | -24.2 | 0 | 0 | 0 | 112.7 | S687 S688 | N685-S687 VanDerWaalsContact C-N 3.34Å; N685-S687 PolarHBondContact O-N 3.4Å; N685-S688 PolarHBondContact O-OG 3.11Å; N685-S688 VanDerWaalsContact O-OG 3.13Å | ||
| 686 | V | 44.7 | Very low | 44.4 | Very low | 46 Ų | 46 | 89 Ų | 89 | 28% | 0.279 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.3 | -32.7 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 112.6 | I666 P683 S688 I689 L690 | I666-V686 HydrophobicContact CD1-CG1 3.85Å; P683-V686 HydrophobicContact CB-CG2 3.79Å; V686-S688 PolarHBondContact O-N 3.27Å; V686-I689 PolarHBondContact O-N 3.01Å; V686-I689 VanDerWaalsContact O-N 3.12Å; V686-L690 HydrophobicContact CG1-CD1 3.9Å; V686-L690 HydrophobicContact CG1-CG 4.25Å; V686-L690 PolarHBondContact O-N 3.22Å; V686-L690 VanDerWaalsContact O-N 3.15Å |
| 687 | S | 42.3 | Very low | 43.2 | Very low | 80 Ų | 80 | 88.6 Ų | 88.6 | 56% | 0.559 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | -176.9 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | N685 Q691 | N685-S687 VanDerWaalsContact C-N 3.34Å; N685-S687 PolarHBondContact O-N 3.4Å; S687-Q691 PolarHBondContact O-N 3.49Å |
| 688 | S | 43.6 | Very low | 42.3 | Very low | 58 Ų | 58 | 91.1 Ų | 91.1 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.2 | -24.1 | 176.7 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | N685 V686 | N685-S688 PolarHBondContact O-OG 3.11Å; N685-S688 VanDerWaalsContact O-OG 3.13Å; V686-S688 PolarHBondContact O-N 3.27Å |
| 689 | I | 43.5 | Very low | 40.8 | Very low | 45 Ų | 45 | 95.8 Ų | 95.8 | 23% | 0.231 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -76.2 | -43.9 | 178.6 | -62.5 | 174.7 | 0 | 0 | 0 | 109.8 | V669 V686 N692 | V669-I689 HydrophobicContact CG1-CD1 4.23Å; V686-I689 PolarHBondContact O-N 3.01Å; V686-I689 VanDerWaalsContact O-N 3.12Å; I689-N692 PolarHBondContact O-N 3.12Å |
| 690 | L | 41.2 | Very low | 39.4 | Very low | 79 Ų | 79 | 97.4 Ų | 97.4 | 41% | 0.414 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -40.4 | 178.2 | -71.3 | 170.1 | 0 | 0 | 0 | 112.8 | V686 N692 M693 | V686-L690 HydrophobicContact CG1-CD1 3.9Å; V686-L690 HydrophobicContact CG1-CG 4.25Å; V686-L690 PolarHBondContact O-N 3.22Å; V686-L690 VanDerWaalsContact O-N 3.15Å; L690-N692 VanDerWaalsContact C-N 3.26Å; L690-N692 PolarHBondContact O-N 3.3Å; L690-M693 PolarHBondContact O-N 2.79Å |
| 691 | Q | 36.9 | Very low | 37.6 | Very low | 146 Ų | 146 | 98 Ų | 98 | 68% | 0.682 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65 | -24.6 | 179.8 | -79 | -174 | -24 | 0 | 0 | 114.5 | S687 S694 | S687-Q691 PolarHBondContact O-N 3.49Å; Q691-S694 PolarHBondContact O-OG 3.33Å; Q691-S694 VanDerWaalsContact O-OG 3.1Å |
| 692 | N | 36.5 | Very low | 36 | Very low | 138 Ų | 138 | 103 Ų | 103 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.8 | -16.9 | 177 | -88.5 | -11.7 | 0 | 0 | 0 | 113.5 | I689 L690 | I689-N692 PolarHBondContact O-N 3.12Å; L690-N692 VanDerWaalsContact C-N 3.26Å; L690-N692 PolarHBondContact O-N 3.3Å |
| 693 | M | 34.2 | Very low | 34.3 | Very low | 97 Ų | 97 | 107.2 Ų | 107.2 | 48% | 0.478 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.7 | -25.8 | 176.3 | -71 | -168.8 | 175.4 | 0 | 0 | 113.1 | L690 N695 | L690-M693 PolarHBondContact O-N 2.79Å; M693-N695 VanDerWaalsContact C-N 3.32Å; M693-N695 PolarHBondContact O-N 2.63Å |
| 694 | S | 31 | Very low | 32.7 | Very low | 87 Ų | 87 | 112.9 Ų | 112.9 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -5 | -172.4 | 50 | 0 | 0 | 0 | 0 | 116.5 | Q691 | Q691-S694 PolarHBondContact O-OG 3.33Å; Q691-S694 VanDerWaalsContact O-OG 3.1Å |
| 695 | N | 25.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 113.2 Ų | 113.2 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 11.2 | -170.3 | -82.3 | -3.6 | 0 | 0 | 0 | 116.2 | M693 T697 | M693-N695 VanDerWaalsContact C-N 3.32Å; M693-N695 PolarHBondContact O-N 2.63Å; N695-T697 PolarHBondContact O-N 2.96Å |
| 696 | Q | 24.5 | Very low | 30.3 | Very low | 155 Ų | 155 | 111.7 Ų | 111.7 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | trans | -92.1 | 82 | 171.9 | -68.4 | -166 | 8 | 0 | 0 | 111.7 | T698 | Q696-T698 PolarHBondContact O-N 3.33Š| ||
| 697 | T | 25.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -72 | 124.5 | 173.8 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | N695 | N695-T697 PolarHBondContact O-N 2.96Š| ||
| 698 | T | 24.8 | Very low | 28.2 | Very low | 119 Ų | 119 | 115.7 Ų | 115.7 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | trans | -61.9 | 130.4 | -176.4 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | Q696 | Q696-T698 PolarHBondContact O-N 3.33Š| ||
| 699 | P | 23.8 | Very low | 27.2 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 74% | 0.735 | S | S | * | * | trans | -82.1 | 115.2 | 163.6 | 30.8 | -28.8 | 0 | 0 | 0 | 110.5 | G701 | P699-G701 PolarHBondContact O-N 3.43Š| ||
| 700 | T | 24.1 | Very low | 26.3 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -74.9 | 118.3 | 179.5 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 701 | G | 23.1 | Very low | 25.6 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -142.2 | 108 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P699 V703 | P699-G701 PolarHBondContact O-N 3.43Å; G701-V703 PolarHBondContact O-N 3.13Å | ||
| 702 | N | 23.9 | Very low | 24.9 | Very low | 172 Ų | 172 | 120.8 Ų | 120.8 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | trans | -69.4 | 125.5 | 175 | -73.4 | -13.7 | 0 | 0 | 0 | 111 | ||||
| 703 | V | 22 | Very low | 24.6 | Very low | 143 Ų | 143 | 117.2 Ų | 117.2 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -134 | 132.3 | 156.6 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | G701 | G701-V703 PolarHBondContact O-N 3.13Š| ||
| 704 | Q | 20.9 | Very low | 24.3 | Very low | 176 Ų | 176 | 119 Ų | 119 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -79.6 | 139.9 | -175 | -71.2 | 162.1 | -68.7 | 0 | 0 | 112.4 | G706 | Q704-G706 PolarHBondContact O-N 3.25Š| ||
| 705 | S | 22.4 | Very low | 24.2 | Very low | 124 Ų | 124 | 120 Ų | 120 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 10.5 | 97.3 | 147.8 | 56.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 706 | G | 21.2 | Very low | 24.6 | Very low | 76 Ų | 76 | 119.9 Ų | 119.9 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | -132.9 | 132.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q704 | Q704-G706 PolarHBondContact O-N 3.25Š| ||
| 707 | S | 22.2 | Very low | 25 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -81.4 | 146.4 | -172.4 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 708 | G | 22.5 | Very low | 25.6 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 107 | 78.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 709 | S | 22.3 | Very low | 26.9 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 119.7 | 166.7 | -71 | 0 | 0 | 0 | 0 | 111.3 | ||
| 710 | A | 24.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 111.5 Ų | 111.5 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 131.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | N712 | A710-N712 PolarHBondContact O-N 2.88Š|
| 711 | G | 26.1 | Very low | 30.7 | Very low | 59 Ų | 59 | 105.8 Ų | 105.8 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 118.4 | -159.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 712 | N | 23 | Very low | 33 | Very low | 151 Ų | 151 | 103.8 Ų | 103.8 | 81% | 0.807 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 124.4 | 157.3 | -73.6 | -17.6 | 0 | 0 | 0 | 109.1 | A710 | A710-N712 PolarHBondContact O-N 2.88Š|
| 713 | T | 28.6 | Very low | 35.5 | Very low | 64 Ų | 64 | 95.7 Ų | 95.7 | 39% | 0.393 | 63% | 0.632 | S | S | . | * | trans | -108.4 | 16.1 | 179.7 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | S715 R882 | T713-S715 VanDerWaalsContact C-N 3.34Å; T713-S715 PolarHBondContact O-N 3.14Å; T713-R882 PolarHBondContact OG1-NH1 3.44Å; T713-R882 VanDerWaalsContact OG1-NH1 3.15Å; T713-R882 PolarHBondContact OG1-NH2 3.45Å; T713-R882 VanDerWaalsContact OG1-NH2 3.11Å | ||
| 714 | D | 27.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 89.1 Ų | 89.1 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 20.1 | -169.3 | -60.4 | -3.5 | 0 | 0 | 0 | 112.7 | R882 | D714-R882 IonicContact OD1-NE 2.83Å; D714-R882 IonicContact OD1-NH2 3.02Å |
| 715 | S | 30 | Very low | 41 | Very low | 107 Ų | 107 | 83 Ų | 83 | 75% | 0.748 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 36.8 | 173.8 | 75.4 | 0 | 0 | 0 | 0 | 113 | T713 | T713-S715 VanDerWaalsContact C-N 3.34Å; T713-S715 PolarHBondContact O-N 3.14Å |
| 716 | L | 33.9 | Very low | 43.8 | Very low | 133 Ų | 133 | 77.6 Ų | 77.6 | 70% | 0.696 | 53% | 0.528 | S | S | * | . | trans | -93.6 | 112.4 | 164.6 | -84.1 | 163.4 | 0 | 0 | 0 | 109 | ||||
| 717 | L | 32.4 | Very low | 46.7 | Very low | 140 Ų | 140 | 74.3 Ų | 74.3 | 73% | 0.733 | 49% | 0.492 | S | S | * | . | trans | -58.6 | 145.2 | -167.1 | -68.7 | 139.9 | 0 | 0 | 0 | 113.2 | G719 | L717-G719 PolarHBondContact O-N 2.84Š| ||
| 718 | S | 38.7 | Very low | 49.7 | Very low | 122 Ų | 122 | 68.6 Ų | 68.6 | 85% | 0.853 | 45% | 0.451 | S | S | * | . | trans | -70.8 | 54.8 | 173.8 | -49.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 719 | G | 51.1 | Low | 52.6 | Low | 36 Ų | 36 | 66 Ų | 66 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 155.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L717 I721 | L717-G719 PolarHBondContact O-N 2.84Å; G719-I721 PolarHBondContact O-N 3.47Å |
| 720 | N | 59.5 | Low | 55.8 | Low | 60 Ų | 60 | 59.9 Ų | 59.9 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 132.5 | 171.5 | -68.2 | -25 | 0 | 0 | 0 | 110.3 | V669 I670 S671 | V669-N720 HydrophobicContact CG1-CB 4.03Å; I670-N720 CarbonylContact O-C 3.54Å; I670-N720 WeakPolarHBondContact O-CA 3.46Å; S671-N720 WeakPolarHBondContact CA-OD1 3.48Å; S671-N720 VanDerWaalsContact CB-OD1 3.3Å; S671-N720 WeakPolarHBondContact CB-OD1 3.49Å |
| 721 | I | 69.5 | Low | 58.9 | Low | 20 Ų | 20 | 55.3 Ų | 55.3 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.2 | 175.6 | -59.7 | 167.5 | 0 | 0 | 0 | 108.2 | P626 F629 I670 G719 | P626-I721 HydrophobicContact CG-CG2 3.78Å; F629-I721 HydrophobicContact CE2-CD1 3.74Å; F629-I721 HydrophobicContact CE2-CG1 4.26Å; F629-I721 HydrophobicContact CZ-CD1 3.92Å; I670-I721 HydrophobicContact CB-CB 4.11Å; I670-I721 HydrophobicContact CG2-CB 4.41Å; I670-I721 PolarHBondContact N-O 2.89Å; I670-I721 PolarHBondContact O-N 3.45Å; G719-I721 PolarHBondContact O-N 3.47Å |
| 722 | L | 70 | Confident | 61.9 | Low | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 115.5 | 178.1 | -58 | 177.9 | 0 | 0 | 0 | 109.8 | I666 V669 | I666-L722 HydrophobicContact CD1-CD1 4.08Å; I666-L722 HydrophobicContact CD1-CD2 4.38Å; I666-L722 HydrophobicContact CG2-CD2 4.16Å; V669-L722 HydrophobicContact CB-CD2 4.37Å; V669-L722 HydrophobicContact CG1-CD2 4.08Å; V669-L722 HydrophobicContact CG2-CD2 3.88Å |
| 723 | L | 77.1 | Confident | 65 | Low | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.8 | 172.3 | -74.6 | 174.9 | 0 | 0 | 0 | 110.1 | P626 A667 L668 I670 H727 L763 | P626-L723 HydrophobicContact CG-CD2 3.81Å; A667-L723 PolarHBondContact N-O 2.97Å; L668-L723 HydrophobicContact CB-CB 4.2Å; L668-L723 PolarHBondContact N-O 3.22Å; L668-L723 VanDerWaalsContact N-O 3.09Å; L668-L723 PolarHBondContact O-N 2.89Å; I670-L723 HydrophobicContact CD1-CD1 3.44Å; I670-L723 VanDerWaalsContact CD1-CD1 3.44Å; I670-L723 HydrophobicContact CD1-CG 4.07Å; L723-H727 HydrophobicContact CD2-CB 3.92Å; L723-L763 HydrophobicContact CD1-CD2 3.57Å; L723-L763 HydrophobicContact CD1-CG 4.41Å |
| 724 | T | 79.6 | Confident | 67.9 | Low | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 163.1 | 178.1 | 68.3 | 0 | 0 | 0 | 0 | 111 | S664 G665 K726 H727 L728 | S664-T724 VanDerWaalsContact O-CG2 3.3Å; S664-T724 WeakPolarHBondContact O-CG2 3.33Å; S664-T724 VanDerWaalsContact OG-CB 3.22Å; S664-T724 WeakPolarHBondContact OG-CB 3.4Å; S664-T724 WeakPolarHBondContact OG-CG2 3.29Å; S664-T724 PolarHBondContact OG-OG1 2.95Å; G665-T724 WeakPolarHBondContact O-CA 3.2Å; T724-K726 PolarHBondContact O-N 3.23Å; T724-K726 VanDerWaalsContact O-N 3.17Å; T724-H727 PolarHBondContact N-ND1 3.15Å; T724-H727 PolarHBondContact O-N 3.37Å; T724-L728 PolarHBondContact O-N 2.88Å |
| 725 | V | 78.3 | Confident | 70.9 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 30% | 0.297 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53 | -36.1 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | G665 A667 H727 L728 Q729 | G665-V725 PolarHBondContact O-N 2.84Å; G665-V725 VanDerWaalsContact O-N 3.12Å; A667-V725 HydrophobicContact CB-CG2 4.03Å; V725-H727 PolarHBondContact O-N 3.42Å; V725-L728 PolarHBondContact O-N 3.38Å; V725-Q729 HydrophobicContact CG1-CG 4.37Å; V725-Q729 WeakPolarHBondContact O-CG 3.49Å; V725-Q729 PolarHBondContact O-N 3.06Å |
| 726 | K | 81.3 | Confident | 73.7 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 176.6 | -67.5 | 179.6 | 178.2 | 172.9 | 0 | 112.9 | S584 T590 S664 T724 L728 Q729 A730 | S584-K726 WeakPolarHBondContact O-CE 3.4Å; S584-K726 PolarHBondContact O-NZ 3.03Å; T590-K726 HydrophobicContact CG2-CG 4.3Å; S664-K726 WeakPolarHBondContact OG-CD 3.5Å; T724-K726 PolarHBondContact O-N 3.23Å; T724-K726 VanDerWaalsContact O-N 3.17Å; K726-L728 VanDerWaalsContact C-N 3.29Å; K726-L728 PolarHBondContact O-N 3.22Å; K726-Q729 PolarHBondContact O-N 2.91Å; K726-A730 WeakPolarHBondContact O-CB 3.35Å; K726-A730 PolarHBondContact O-N 2.87Å |
| 727 | H | 83.1 | Confident | 76.4 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 178.9 | -58.9 | 155.6 | 0 | 0 | 0 | 110.8 | A623 F661 L723 T724 V725 A730 A731 | A623-H727 PolarHBondContact O-CD2 3.24Å; F661-H727 AromaticContact CD1-NE2 3.29Å; F661-H727 VanDerWaalsContact CD1-NE2 3.29Å; F661-H727 WeakPolarHBondContact CD1-NE2 3.36Å; F661-H727 AromaticContact CE1-NE2 3.58Å; L723-H727 HydrophobicContact CD2-CB 3.92Å; T724-H727 PolarHBondContact N-ND1 3.15Å; T724-H727 PolarHBondContact O-N 3.37Å; V725-H727 PolarHBondContact O-N 3.42Å; H727-A730 PolarHBondContact O-N 3.39Å; H727-A731 VanDerWaalsContact O-CB 3.27Å; H727-A731 WeakPolarHBondContact O-CB 3.4Å; H727-A731 PolarHBondContact O-N 3.04Å |
| 728 | L | 84.5 | Confident | 79.1 | Confident | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.7 | -41.2 | 176.4 | -62.2 | 177.5 | 0 | 0 | 0 | 112.2 | A667 T724 V725 K726 A731 S732 L763 E837 L841 | A667-L728 HydrophobicContact CB-CD1 3.71Å; T724-L728 PolarHBondContact O-N 2.88Å; V725-L728 PolarHBondContact O-N 3.38Å; K726-L728 VanDerWaalsContact C-N 3.29Å; K726-L728 PolarHBondContact O-N 3.22Å; L728-A731 PolarHBondContact O-N 3.17Å; L728-S732 PolarHBondContact O-N 3.41Å; L728-L763 HydrophobicContact CD2-CD1 4.3Å; L728-L763 HydrophobicContact CD2-CD2 4.31Å; L728-E837 WeakPolarHBondContact CD1-OE2 3.15Å; L728-L841 HydrophobicContact CD2-CD1 4.14Å |
| 729 | Q | 84 | Confident | 81.3 | Confident | 26 Ų | 26 | 17.4 Ų | 17.4 | 12% | 0.121 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 171.9 | -70.9 | -176 | -74.8 | 0 | 0 | 111.7 | H587 L594 V725 K726 S732 A733 | H587-Q729 PolarHBondContact CE1-NE2 2.69Å; H587-Q729 PolarHBondContact ND1-NE2 2.75Å; H587-Q729 VanDerWaalsContact ND1-NE2 3.15Å; H587-Q729 PolarHBondContact NE2-NE2 3.25Å; H587-Q729 PolarHBondContact O-NE2 3.48Å; H587-Q729 VanDerWaalsContact O-NE2 3.15Å; L594-Q729 HydrophobicContact CD1-CB 3.86Å; V725-Q729 HydrophobicContact CG1-CG 4.37Å; V725-Q729 WeakPolarHBondContact O-CG 3.49Å; V725-Q729 PolarHBondContact O-N 3.06Å; K726-Q729 PolarHBondContact O-N 2.91Å; Q729-S732 WeakPolarHBondContact O-CB 3.35Å; Q729-S732 PolarHBondContact O-N 3.34Å; Q729-A733 PolarHBondContact O-N 3.42Å |
| 730 | A | 88.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F581 L594 A623 A624 K726 H727 A733 V734 | F581-A730 HydrophobicContact CZ-CB 4.38Å; L594-A730 HydrophobicContact CD1-CB 4.46Å; L594-A730 HydrophobicContact CD2-CB 4.04Å; A623-A730 VanDerWaalsContact C-CB 3.41Å; A623-A730 HydrophobicContact CB-CB 3.8Å; A623-A730 VanDerWaalsContact O-CB 3.3Å; A623-A730 WeakPolarHBondContact O-CB 2.91Å; A624-A730 HydrophobicContact CB-CB 4.14Å; K726-A730 WeakPolarHBondContact O-CB 3.35Å; K726-A730 PolarHBondContact O-N 2.87Å; H727-A730 PolarHBondContact O-N 3.39Å; A730-A733 CarbonylContact O-C 3.57Å; A730-A733 WeakPolarHBondContact O-CB 3.24Å; A730-A733 PolarHBondContact O-N 2.97Å; A730-V734 WeakPolarHBondContact O-CG2 3.48Å; A730-V734 PolarHBondContact O-N 3.07Å |
| 731 | A | 89.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | A624 H727 L728 A733 V734 L735 L759 L841 | A624-A731 HydrophobicContact CB-CB 4.21Å; H727-A731 VanDerWaalsContact O-CB 3.27Å; H727-A731 WeakPolarHBondContact O-CB 3.4Å; H727-A731 PolarHBondContact O-N 3.04Å; L728-A731 PolarHBondContact O-N 3.17Å; A731-A733 VanDerWaalsContact C-N 3.33Å; A731-A733 PolarHBondContact O-N 2.83Å; A731-V734 PolarHBondContact O-N 3.49Å; A731-L735 WeakPolarHBondContact O-CG 3.49Å; A731-L735 PolarHBondContact O-N 3.44Å; A731-L759 HydrophobicContact CB-CD1 3.77Å; A731-L759 HydrophobicContact CB-CD2 3.73Å; A731-L759 HydrophobicContact CB-CG 4.43Å; A731-L841 HydrophobicContact CB-CD2 4.19Å |
| 732 | S | 89.1 | Confident | 84.8 | Confident | 35 Ų | 35 | 16.7 Ų | 16.7 | 25% | 0.245 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 173.2 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | L728 Q729 L735 T736 | L728-S732 PolarHBondContact O-N 3.41Å; Q729-S732 WeakPolarHBondContact O-CB 3.35Å; Q729-S732 PolarHBondContact O-N 3.34Å; S732-L735 PolarHBondContact O-N 3.32Å; S732-T736 WeakPolarHBondContact O-CB 3.49Å; S732-T736 WeakPolarHBondContact O-CG2 3.33Å; S732-T736 PolarHBondContact O-N 3.21Å; S732-T736 PolarHBondContact O-OG1 3.45Å |
| 733 | A | 89.2 | Confident | 85.3 | Confident | 6 Ų | 6 | 18.1 Ų | 18.1 | 5% | 0.05 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L594 Q598 L620 Q729 A730 A731 L735 T736 T737 | L594-A733 HydrophobicContact CB-CB 4.02Å; L594-A733 HydrophobicContact CD1-CB 4.11Å; L594-A733 HydrophobicContact CD2-CB 3.97Å; L594-A733 HydrophobicContact CG-CB 4.26Å; Q598-A733 PolarHBondContact NE2-O 3.41Å; L620-A733 HydrophobicContact CD1-CB 3.88Å; Q729-A733 PolarHBondContact O-N 3.42Å; A730-A733 CarbonylContact O-C 3.57Å; A730-A733 WeakPolarHBondContact O-CB 3.24Å; A730-A733 PolarHBondContact O-N 2.97Å; A731-A733 VanDerWaalsContact C-N 3.33Å; A731-A733 PolarHBondContact O-N 2.83Å; A733-L735 PolarHBondContact O-N 3.02Å; A733-T736 WeakPolarHBondContact CA-OG1 3.3Å; A733-T736 PolarHBondContact O-N 3.31Å; A733-T736 PolarHBondContact O-OG1 3.24Å; A733-T737 WeakPolarHBondContact O-CB 3.43Å; A733-T737 PolarHBondContact O-N 2.88Å; A733-T737 PolarHBondContact O-OG1 3Å |
| 734 | V | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 173.6 | 167.1 | 0 | 0 | 0 | 0 | 110.5 | L620 A624 A730 A731 T737 A738 F752 T755 M756 | L620-V734 HydrophobicContact CD1-CG2 4.49Å; L620-V734 HydrophobicContact CD2-CG2 4.45Å; L620-V734 HydrophobicContact CG-CG2 3.9Å; A624-V734 HydrophobicContact CB-CG2 3.9Å; A730-V734 WeakPolarHBondContact O-CG2 3.48Å; A730-V734 PolarHBondContact O-N 3.07Å; A731-V734 PolarHBondContact O-N 3.49Å; V734-T737 PolarHBondContact O-N 3.41Å; V734-A738 PolarHBondContact O-N 2.73Å; V734-A738 VanDerWaalsContact O-N 3.12Å; V734-F752 HydrophobicContact CB-CE1 4.49Å; V734-F752 HydrophobicContact CG1-CD1 3.69Å; V734-F752 HydrophobicContact CG1-CE1 4.04Å; V734-F752 WeakPolarHBondContact O-CE1 3.33Å; V734-T755 HydrophobicContact CG1-CG2 4.3Å; V734-M756 HydrophobicContact CG1-CE 4.5Å |
| 735 | L | 90.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.6 | -44.7 | -179.8 | -64.1 | 175.4 | 0 | 0 | 0 | 112.2 | A731 S732 A733 T737 A738 L739 M756 L841 F844 L845 I848 | A731-L735 WeakPolarHBondContact O-CG 3.49Å; A731-L735 PolarHBondContact O-N 3.44Å; S732-L735 PolarHBondContact O-N 3.32Å; A733-L735 PolarHBondContact O-N 3.02Å; L735-T737 VanDerWaalsContact C-N 3.33Å; L735-T737 PolarHBondContact O-N 2.96Å; L735-A738 PolarHBondContact O-N 3.42Å; L735-L739 WeakPolarHBondContact O-CG 3.42Å; L735-L739 PolarHBondContact O-N 3.22Å; L735-M756 HydrophobicContact CD2-CE 4.12Å; L735-M756 HydrophobicContact CD2-CG 3.85Å; L735-M756 HydrophobicContact CD2-SD 4.18Å; L735-L841 HydrophobicContact CD1-CB 4.18Å; L735-L841 HydrophobicContact CD1-CD2 3.78Å; L735-L841 WeakPolarHBondContact CD1-O 3.36Å; L735-F844 HydrophobicContact CB-CB 3.89Å; L735-F844 HydrophobicContact CD1-CB 4.05Å; L735-L845 HydrophobicContact CD1-CB 4.27Å; L735-L845 HydrophobicContact CD2-CB 4.07Å; L735-L845 HydrophobicContact CD2-CD1 4.31Å; L735-L845 HydrophobicContact CD2-CG 4.48Å; L735-I848 HydrophobicContact CB-CD1 4.27Å; L735-I848 HydrophobicContact CD2-CD1 3.68Å |
| 736 | T | 88.5 | Confident | 86.2 | Confident | 41 Ų | 41 | 18 Ų | 18 | 25% | 0.252 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -69 | -27.3 | 178.8 | 51 | 0 | 0 | 0 | 0 | 113.7 | Q598 S732 A733 L739 A740 F844 | Q598-T736 PolarHBondContact NE2-OG1 3.2Å; S732-T736 WeakPolarHBondContact O-CB 3.49Å; S732-T736 WeakPolarHBondContact O-CG2 3.33Å; S732-T736 PolarHBondContact O-N 3.21Å; S732-T736 PolarHBondContact O-OG1 3.45Å; A733-T736 WeakPolarHBondContact CA-OG1 3.3Å; A733-T736 PolarHBondContact O-N 3.31Å; A733-T736 PolarHBondContact O-OG1 3.24Å; T736-L739 HydrophobicContact CG2-CD1 4.46Å; T736-A740 WeakPolarHBondContact O-CB 3.38Å; T736-A740 PolarHBondContact O-N 3.45Å; T736-F844 HydrophobicContact CG2-CD2 4.31Å; T736-F844 HydrophobicContact CG2-CE2 4.24Å; T736-F844 HydrophobicContact CG2-CG 4.49Å; T736-F844 HydrophobicContact CG2-CZ 4.34Å |
| 737 | T | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -45 | 171 | -48.6 | 0 | 0 | 0 | 0 | 110.9 | Q598 I601 L620 A733 V734 L735 L739 A740 H741 F752 | Q598-T737 WeakPolarHBondContact CG-OG1 3.4Å; Q598-T737 PolarHBondContact NE2-OG1 3.11Å; I601-T737 HydrophobicContact CB-CG2 4.32Å; I601-T737 HydrophobicContact CD1-CG2 4.12Å; I601-T737 HydrophobicContact CG2-CG2 3.94Å; L620-T737 HydrophobicContact CD2-CG2 4.35Å; L620-T737 WeakPolarHBondContact CD2-OG1 3.28Å; A733-T737 WeakPolarHBondContact O-CB 3.43Å; A733-T737 PolarHBondContact O-N 2.88Å; A733-T737 PolarHBondContact O-OG1 3Å; V734-T737 PolarHBondContact O-N 3.41Å; L735-T737 VanDerWaalsContact C-N 3.33Å; L735-T737 PolarHBondContact O-N 2.96Å; T737-L739 VanDerWaalsContact C-N 3.29Å; T737-L739 PolarHBondContact O-N 3.1Å; T737-A740 PolarHBondContact O-N 3.38Å; T737-H741 WeakPolarHBondContact O-CA 3.38Å; T737-H741 WeakPolarHBondContact O-CB 3.33Å; T737-H741 PolarHBondContact O-N 3.35Å; T737-F752 HydrophobicContact CG2-CE1 4.13Å; T737-F752 HydrophobicContact CG2-CZ 3.84Å |
| 738 | A | 88.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.033 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -32.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V734 L735 G742 L745 W749 F752 M756 I848 | V734-A738 PolarHBondContact O-N 2.73Å; V734-A738 VanDerWaalsContact O-N 3.12Å; L735-A738 PolarHBondContact O-N 3.42Å; A738-G742 WeakPolarHBondContact O-CA 3.47Å; A738-G742 PolarHBondContact O-N 3.22Å; A738-L745 HydrophobicContact CB-CD1 4.48Å; A738-W749 HydrophobicContact CB-CH2 4.1Å; A738-W749 HydrophobicContact CB-CZ3 3.9Å; A738-F752 HydrophobicContact CB-CD1 4.09Å; A738-M756 HydrophobicContact CB-CE 3.51Å; A738-I848 HydrophobicContact CB-CD1 3.77Å; A738-I848 HydrophobicContact CB-CG1 4.23Å |
| 739 | L | 86.7 | Confident | 86.6 | Confident | 27 Ų | 27 | 19.6 Ų | 19.6 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -57.3 | 170 | -72.7 | 168.9 | 0 | 0 | 0 | 112.1 | L735 T736 T737 F844 Q847 I848 Q851 | L735-L739 WeakPolarHBondContact O-CG 3.42Å; L735-L739 PolarHBondContact O-N 3.22Å; T736-L739 HydrophobicContact CG2-CD1 4.46Å; T737-L739 VanDerWaalsContact C-N 3.29Å; T737-L739 PolarHBondContact O-N 3.1Å; L739-F844 HydrophobicContact CD1-CB 3.9Å; L739-F844 HydrophobicContact CD1-CD1 3.86Å; L739-F844 HydrophobicContact CD1-CG 4.15Å; L739-Q847 VanDerWaalsContact CD2-C 3.47Å; L739-Q847 HydrophobicContact CD2-CB 3.68Å; L739-Q847 HydrophobicContact CD2-CG 3.56Å; L739-I848 HydrophobicContact CD2-CB 4.21Å; L739-I848 HydrophobicContact CD2-CG1 3.55Å; L739-I848 VanDerWaalsContact CD2-N 3.3Å; L739-I848 HydrophobicContact CG-CG1 3.59Å; L739-Q851 VanDerWaalsContact CD2-OE1 3.23Å |
| 740 | A | 84.3 | Confident | 86.8 | Confident | 69 Ų | 69 | 18.9 Ų | 18.9 | 57% | 0.57 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -80.2 | -22 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T736 T737 | T736-A740 WeakPolarHBondContact O-CB 3.38Å; T736-A740 PolarHBondContact O-N 3.45Å; T737-A740 PolarHBondContact O-N 3.38Å |
| 741 | H | 85 | Confident | 86.6 | Confident | 28 Ų | 28 | 19.3 Ų | 19.3 | 13% | 0.13 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -133.3 | 19.6 | -169.8 | -51.8 | -41 | 0 | 0 | 0 | 112.9 | E602 T737 D743 V744 | E602-H741 IonicContact OE2-CE1 3.57Å; E602-H741 PolarHBondContact OE2-CE1 2.72Å; E602-H741 IonicContact OE2-NE2 2.73Å; T737-H741 WeakPolarHBondContact O-CA 3.38Å; T737-H741 WeakPolarHBondContact O-CB 3.33Å; T737-H741 PolarHBondContact O-N 3.35Å; H741-D743 PolarHBondContact O-N 3.14Å; H741-V744 HydrophobicContact CB-CG2 4.41Å; H741-V744 WeakPolarHBondContact O-CG2 3.45Å; H741-V744 PolarHBondContact O-N 3.22Å |
| 742 | G | 82.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 19.3 Ų | 19.3 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -57.2 | -31 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A738 V744 W749 | A738-G742 WeakPolarHBondContact O-CA 3.47Å; A738-G742 PolarHBondContact O-N 3.22Å; G742-V744 PolarHBondContact O-N 3.47Å; G742-V744 VanDerWaalsContact O-N 3.16Å; G742-W749 WeakPolarHBondContact O-CZ2 3.28Å; G742-W749 PolarHBondContact O-NE1 3.09Å |
| 743 | D | 81.8 | Confident | 86.7 | Confident | 57 Ų | 57 | 17.6 Ų | 17.6 | 31% | 0.305 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -63.4 | -16.4 | 175.5 | -84.7 | -56.6 | 0 | 0 | 0 | 115 | H741 L855 S856 A859 | H741-D743 PolarHBondContact O-N 3.14Å; D743-L855 HydrophobicContact CB-CD2 4.44Å; D743-L855 WeakPolarHBondContact OD1-CA 3.25Å; D743-S856 VanDerWaalsContact OD1-CB 3.27Å; D743-S856 WeakPolarHBondContact OD1-CB 3.35Å; D743-S856 PolarHBondContact OD1-N 3.31Å; D743-S856 PolarHBondContact OD1-OG 3.47Å; D743-A859 HydrophobicContact CB-CB 4.45Å |
| 744 | V | 82.6 | Confident | 86.5 | Confident | 25 Ų | 25 | 17.6 Ų | 17.6 | 15% | 0.152 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -121.3 | 4.4 | -165.4 | -124.6 | 0 | 0 | 0 | 0 | 113.2 | G605 K606 R613 H741 G742 | G605-V744 WeakPolarHBondContact CA-O 3.48Å; G605-V744 WeakPolarHBondContact O-CG1 3.49Å; K606-V744 HydrophobicContact CG-CG1 4.21Å; K606-V744 VanDerWaalsContact N-CG1 3.29Å; R613-V744 WeakPolarHBondContact CD-O 3.38Å; R613-V744 PolarHBondContact NH1-O 3.28Å; R613-V744 VanDerWaalsContact NH1-O 3.12Å; H741-V744 HydrophobicContact CB-CG2 4.41Å; H741-V744 WeakPolarHBondContact O-CG2 3.45Å; H741-V744 PolarHBondContact O-N 3.22Å; G742-V744 PolarHBondContact O-N 3.47Å; G742-V744 VanDerWaalsContact O-N 3.16Å |
| 745 | L | 84.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -80.5 | -26.3 | -177.2 | -69.8 | -177.5 | 0 | 0 | 0 | 114.1 | I601 R613 A738 S747 S748 W749 F752 | I601-L745 HydrophobicContact CG2-CD2 3.68Å; R613-L745 PolarHBondContact NE-O 3.1Å; A738-L745 HydrophobicContact CB-CD1 4.48Å; L745-S747 PolarHBondContact O-N 2.85Å; L745-S747 VanDerWaalsContact O-N 3.1Å; L745-S748 WeakPolarHBondContact O-CA 3.44Å; L745-S748 WeakPolarHBondContact O-CB 3.21Å; L745-S748 PolarHBondContact O-N 3.15Å; L745-W749 HydrophobicContact CB-CD2 4.11Å; L745-W749 HydrophobicContact CB-CG 3.99Å; L745-W749 HydrophobicContact CD1-CD2 3.87Å; L745-W749 HydrophobicContact CD1-CE3 3.89Å; L745-W749 HydrophobicContact CD1-CH2 4.13Å; L745-W749 HydrophobicContact CD1-CZ2 4.11Å; L745-W749 HydrophobicContact CD1-CZ3 4.02Å; L745-F752 HydrophobicContact CD1-CD1 4.5Å; L745-F752 HydrophobicContact CD1-CD2 3.84Å; L745-F752 HydrophobicContact CD1-CE2 3.99Å; L745-F752 HydrophobicContact CD1-CG 4.12Å; L745-F752 HydrophobicContact CD1-CZ 4.41Å; L745-F752 HydrophobicContact CD2-CD2 4.17Å; L745-F752 HydrophobicContact CD2-CE2 3.59Å; L745-F752 HydrophobicContact CD2-CZ 4.08Å; L745-F752 HydrophobicContact CG-CE2 4.43Å | ||
| 746 | D | 85.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 17.5 Ų | 17.5 | 16% | 0.155 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | 32.8 | -111.2 | -173.6 | -47.2 | -44.9 | 0 | 0 | 0 | 114.2 | R613 S748 W749 N862 | R613-D746 IonicContact CZ-OD2 2.63Å; R613-D746 IonicContact NH1-OD2 3.54Å; R613-D746 PolarHBondContact NH1-OD2 2.99Å; D746-S748 VanDerWaalsContact C-N 3.27Å; D746-S748 PolarHBondContact O-N 3.04Å; D746-W749 WeakPolarHBondContact O-CB 3.47Å; D746-W749 PolarHBondContact O-N 3.31Å; D746-N862 WeakPolarHBondContact CA-ND2 3.21Å; D746-N862 WeakPolarHBondContact CB-ND2 3.42Å; D746-N862 PolarHBondContact OD1-ND2 2.98Å; D746-N862 VanDerWaalsContact OD1-ND2 3.13Å |
| 747 | S | 80.7 | Confident | 86.2 | Confident | 56 Ų | 56 | 17 Ų | 17 | 39% | 0.392 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -62.6 | -27.9 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 114 | R613 D614 L745 W749 I750 | R613-S747 PolarHBondContact NH2-OG 3.12Å; D614-S747 VanDerWaalsContact CG-OG 3.3Å; D614-S747 PolarHBondContact OD1-OG 2.97Å; D614-S747 PolarHBondContact OD2-OG 3.4Å; L745-S747 PolarHBondContact O-N 2.85Å; L745-S747 VanDerWaalsContact O-N 3.1Å; S747-W749 PolarHBondContact O-N 3.47Å; S747-I750 WeakPolarHBondContact O-CG2 3.19Å |
| 748 | S | 86.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -63.7 | -21.1 | 177.6 | -81.8 | 0 | 0 | 0 | 0 | 113.1 | D614 S617 L745 D746 I750 I751 F752 | D614-S748 WeakPolarHBondContact CA-OG 3.29Å; D614-S748 PolarHBondContact OD1-OG 2.68Å; S617-S748 VanDerWaalsContact CB-OG 3.29Å; S617-S748 WeakPolarHBondContact CB-OG 3.47Å; S617-S748 PolarHBondContact OG-OG 2.94Å; L745-S748 WeakPolarHBondContact O-CA 3.44Å; L745-S748 WeakPolarHBondContact O-CB 3.21Å; L745-S748 PolarHBondContact O-N 3.15Å; D746-S748 VanDerWaalsContact C-N 3.27Å; D746-S748 PolarHBondContact O-N 3.04Å; S748-I750 PolarHBondContact O-N 2.94Å; S748-I751 WeakPolarHBondContact O-CB 3.43Å; S748-I751 PolarHBondContact O-N 3.21Å; S748-F752 WeakPolarHBondContact O-CD2 3.37Å; S748-F752 PolarHBondContact O-N 3.09Å |
| 749 | W | 90.1 | Very high | 85.7 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -52.3 | -34.2 | -179.8 | -92.2 | 122.2 | 0 | 0 | 0 | 113.5 | A738 G742 L745 D746 S747 F752 L753 I848 L855 F863 A866 | A738-W749 HydrophobicContact CB-CH2 4.1Å; A738-W749 HydrophobicContact CB-CZ3 3.9Å; G742-W749 WeakPolarHBondContact O-CZ2 3.28Å; G742-W749 PolarHBondContact O-NE1 3.09Å; L745-W749 HydrophobicContact CB-CD2 4.11Å; L745-W749 HydrophobicContact CB-CG 3.99Å; L745-W749 HydrophobicContact CD1-CD2 3.87Å; L745-W749 HydrophobicContact CD1-CE3 3.89Å; L745-W749 HydrophobicContact CD1-CH2 4.13Å; L745-W749 HydrophobicContact CD1-CZ2 4.11Å; L745-W749 HydrophobicContact CD1-CZ3 4.02Å; D746-W749 WeakPolarHBondContact O-CB 3.47Å; D746-W749 PolarHBondContact O-N 3.31Å; S747-W749 PolarHBondContact O-N 3.47Å; W749-F752 HydrophobicContact CE3-CB 4.34Å; W749-F752 PolarHBondContact O-N 3.39Å; W749-L753 HydrophobicContact CE3-CG 4.49Å; W749-L753 VanDerWaalsContact O-CB 3.32Å; W749-L753 WeakPolarHBondContact O-CB 3.14Å; W749-L753 WeakPolarHBondContact O-CG 3.41Å; W749-L753 PolarHBondContact O-N 2.68Å; W749-I848 HydrophobicContact CH2-CG2 4.15Å; W749-I848 HydrophobicContact CZ3-CG2 4.39Å; W749-L855 HydrophobicContact CZ2-CD1 4.36Å; W749-F863 HydrophobicContact CD2-CB 4.13Å; W749-F863 AromaticContact CD2-CD2 3.4Å; W749-F863 HydrophobicContact CD2-CD2 3.4Å; W749-F863 HydrophobicContact CD2-CE2 4.05Å; W749-F863 HydrophobicContact CD2-CG 4.06Å; W749-F863 AromaticContact CE2-CD2 3.75Å; W749-F863 AromaticContact CE2-CG 3.98Å; W749-F863 AromaticContact CE3-CD2 3.28Å; W749-F863 HydrophobicContact CE3-CD2 3.28Å; W749-F863 AromaticContact CE3-CE2 3.45Å; W749-F863 HydrophobicContact CE3-CE2 3.45Å; W749-F863 VanDerWaalsContact CE3-CE2 3.45Å; W749-F863 HydrophobicContact CE3-CG 4.31Å; W749-F863 HydrophobicContact CG-CB 4.16Å; W749-F863 HydrophobicContact CG-CD2 4.02Å; W749-F863 AromaticContact CH2-CD2 3.87Å; W749-F863 HydrophobicContact CH2-CD2 3.87Å; W749-F863 AromaticContact CH2-CE2 3.72Å; W749-F863 HydrophobicContact CH2-CE2 3.72Å; W749-F863 HydrophobicContact CH2-CG 4.39Å; W749-F863 HydrophobicContact CH2-CZ 4.13Å; W749-F863 HydrophobicContact CZ2-CB 4.45Å; W749-F863 AromaticContact CZ2-CD2 3.96Å; W749-F863 HydrophobicContact CZ2-CD2 3.96Å; W749-F863 HydrophobicContact CZ2-CE2 4.27Å; W749-F863 HydrophobicContact CZ2-CG 4.14Å; W749-F863 AromaticContact CZ3-CD2 3.55Å; W749-F863 HydrophobicContact CZ3-CD2 3.55Å; W749-F863 AromaticContact CZ3-CE2 3.28Å; W749-F863 HydrophobicContact CZ3-CE2 3.28Å; W749-F863 HydrophobicContact CZ3-CG 4.48Å; W749-F863 HydrophobicContact CZ3-CZ 4.04Å; W749-A866 HydrophobicContact CB-CB 3.97Å |
| 750 | I | 87.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 18.2 Ų | 18.2 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.2 | -168.5 | 69 | 0 | 0 | 0 | 111.9 | S747 S748 F752 L753 T754 A866 R869 L870 | S747-I750 WeakPolarHBondContact O-CG2 3.19Å; S748-I750 PolarHBondContact O-N 2.94Å; I750-F752 VanDerWaalsContact C-N 3.32Å; I750-F752 PolarHBondContact O-N 2.9Å; I750-L753 PolarHBondContact O-N 3.05Å; I750-T754 WeakPolarHBondContact O-CB 3.45Å; I750-T754 PolarHBondContact O-N 3.34Å; I750-T754 PolarHBondContact O-OG1 3.36Å; I750-A866 HydrophobicContact CB-CB 4.06Å; I750-A866 HydrophobicContact CD1-CB 4.11Å; I750-A866 WeakPolarHBondContact CD1-O 3.4Å; I750-R869 HydrophobicContact CD1-CB 4.12Å; I750-L870 HydrophobicContact CD1-CD1 4.32Å; I750-L870 HydrophobicContact CD1-CD2 3.97Å; I750-L870 HydrophobicContact CD1-CG 3.69Å |
| 751 | I | 85.5 | Confident | 85.4 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.051 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | -177.5 | -64.5 | 152.9 | 0 | 0 | 0 | 110.4 | I618 C621 L634 S748 T755 | I618-I751 HydrophobicContact CD1-CD1 4.23Å; I618-I751 HydrophobicContact CG1-CD1 3.69Å; I618-I751 HydrophobicContact CG1-CG1 4.38Å; I618-I751 HydrophobicContact CG1-CG2 4.4Å; C621-I751 HydrophobicContact CB-CG2 3.66Å; L634-I751 HydrophobicContact CD2-CG2 3.68Å; S748-I751 WeakPolarHBondContact O-CB 3.43Å; S748-I751 PolarHBondContact O-N 3.21Å; I751-T755 WeakPolarHBondContact O-CB 3.4Å; I751-T755 PolarHBondContact O-N 3.29Å; I751-T755 VanDerWaalsContact O-N 3.11Å; I751-T755 PolarHBondContact O-OG1 3.43Å |
| 752 | F | 90.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.3 | -50.7 | 174.1 | -83.6 | -89.9 | 0 | 0 | 0 | 111.8 | I601 S617 L620 V734 T737 A738 L745 S748 W749 I750 T755 M756 | I601-F752 HydrophobicContact CD1-CZ 4.36Å; S617-F752 WeakPolarHBondContact OG-CE2 3.25Å; L620-F752 HydrophobicContact CD2-CE1 4.38Å; L620-F752 HydrophobicContact CD2-CZ 4.25Å; V734-F752 HydrophobicContact CB-CE1 4.49Å; V734-F752 HydrophobicContact CG1-CD1 3.69Å; V734-F752 HydrophobicContact CG1-CE1 4.04Å; V734-F752 WeakPolarHBondContact O-CE1 3.33Å; T737-F752 HydrophobicContact CG2-CE1 4.13Å; T737-F752 HydrophobicContact CG2-CZ 3.84Å; A738-F752 HydrophobicContact CB-CD1 4.09Å; L745-F752 HydrophobicContact CD1-CD1 4.5Å; L745-F752 HydrophobicContact CD1-CD2 3.84Å; L745-F752 HydrophobicContact CD1-CE2 3.99Å; L745-F752 HydrophobicContact CD1-CG 4.12Å; L745-F752 HydrophobicContact CD1-CZ 4.41Å; L745-F752 HydrophobicContact CD2-CD2 4.17Å; L745-F752 HydrophobicContact CD2-CE2 3.59Å; L745-F752 HydrophobicContact CD2-CZ 4.08Å; L745-F752 HydrophobicContact CG-CE2 4.43Å; S748-F752 WeakPolarHBondContact O-CD2 3.37Å; S748-F752 PolarHBondContact O-N 3.09Å; W749-F752 HydrophobicContact CE3-CB 4.34Å; W749-F752 PolarHBondContact O-N 3.39Å; I750-F752 VanDerWaalsContact C-N 3.32Å; I750-F752 PolarHBondContact O-N 2.9Å; F752-T755 WeakPolarHBondContact O-CB 3.15Å; F752-T755 PolarHBondContact O-N 2.94Å; F752-M756 HydrophobicContact CB-CE 4.03Å; F752-M756 HydrophobicContact CD1-CE 4.25Å; F752-M756 VanDerWaalsContact O-CG 3.29Å; F752-M756 WeakPolarHBondContact O-CG 3.48Å; F752-M756 PolarHBondContact O-N 3.17Å |
| 753 | L | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | -178.4 | -78.4 | 166.8 | 0 | 0 | 0 | 113.3 | W749 I750 T755 M756 Q757 F849 F863 A866 L867 L870 F887 | W749-L753 HydrophobicContact CE3-CG 4.49Å; W749-L753 VanDerWaalsContact O-CB 3.32Å; W749-L753 WeakPolarHBondContact O-CB 3.14Å; W749-L753 WeakPolarHBondContact O-CG 3.41Å; W749-L753 PolarHBondContact O-N 2.68Å; I750-L753 PolarHBondContact O-N 3.05Å; L753-T755 VanDerWaalsContact C-N 3.27Å; L753-T755 PolarHBondContact O-N 3.22Å; L753-M756 HydrophobicContact CD2-SD 4.24Å; L753-M756 PolarHBondContact O-N 3.12Å; L753-Q757 PolarHBondContact O-N 3.03Å; L753-F849 HydrophobicContact CD2-CZ 4.32Å; L753-F863 HydrophobicContact CD1-CD2 3.76Å; L753-F863 HydrophobicContact CD1-CE2 3.85Å; L753-F863 HydrophobicContact CD2-CD2 4.48Å; L753-F863 HydrophobicContact CD2-CE2 3.71Å; L753-F863 HydrophobicContact CD2-CZ 4.48Å; L753-F863 HydrophobicContact CG-CD2 4.31Å; L753-F863 HydrophobicContact CG-CE2 3.95Å; L753-A866 HydrophobicContact CD1-CB 3.65Å; L753-L867 HydrophobicContact CD1-CD2 3.9Å; L753-L867 HydrophobicContact CD1-CG 3.68Å; L753-L867 HydrophobicContact CD2-CD2 3.75Å; L753-L867 HydrophobicContact CD2-CG 4.21Å; L753-L867 HydrophobicContact CG-CD2 4.33Å; L753-L870 HydrophobicContact CB-CD1 3.63Å; L753-F887 HydrophobicContact CD2-CE1 4.46Å; L753-F887 HydrophobicContact CD2-CZ 4.49Å |
| 754 | T | 85.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 173.8 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | L633 I750 Q757 H758 L870 | L633-T754 HydrophobicContact CD1-CG2 3.54Å; L633-T754 HydrophobicContact CD2-CG2 3.9Å; L633-T754 HydrophobicContact CG-CG2 3.8Å; I750-T754 WeakPolarHBondContact O-CB 3.45Å; I750-T754 PolarHBondContact O-N 3.34Å; I750-T754 PolarHBondContact O-OG1 3.36Å; T754-Q757 WeakPolarHBondContact O-CB 3.49Å; T754-Q757 PolarHBondContact O-N 3.4Å; T754-H758 PolarHBondContact O-N 3.06Å; T754-H758 PolarHBondContact O-ND1 2.94Å; T754-L870 HydrophobicContact CG2-CD2 4.31Å |
| 755 | T | 87.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.7 | -43 | 176.1 | -59 | 0 | 0 | 0 | 0 | 111.6 | C621 A624 L625 V734 I751 F752 L753 Q757 H758 L759 | C621-T755 HydrophobicContact CB-CG2 4.27Å; C621-T755 WeakPolarHBondContact CB-OG1 3.38Å; A624-T755 HydrophobicContact CB-CG2 4.07Å; L625-T755 HydrophobicContact CD1-CG2 4.22Å; L625-T755 HydrophobicContact CD2-CG2 4.15Å; L625-T755 HydrophobicContact CG-CG2 4.09Å; V734-T755 HydrophobicContact CG1-CG2 4.3Å; I751-T755 WeakPolarHBondContact O-CB 3.4Å; I751-T755 PolarHBondContact O-N 3.29Å; I751-T755 VanDerWaalsContact O-N 3.11Å; I751-T755 PolarHBondContact O-OG1 3.43Å; F752-T755 WeakPolarHBondContact O-CB 3.15Å; F752-T755 PolarHBondContact O-N 2.94Å; L753-T755 VanDerWaalsContact C-N 3.27Å; L753-T755 PolarHBondContact O-N 3.22Å; T755-Q757 VanDerWaalsContact C-N 3.34Å; T755-Q757 PolarHBondContact O-N 2.92Å; T755-H758 PolarHBondContact O-N 3.26Å; T755-L759 HydrophobicContact CG2-CD1 4.08Å; T755-L759 HydrophobicContact CG2-CG 4.43Å; T755-L759 WeakPolarHBondContact O-CG 3.43Å; T755-L759 PolarHBondContact O-N 3.22Å |
| 756 | M | 88.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.4 | -69.7 | 171.5 | -158.8 | 0 | 0 | 112.3 | V734 L735 A738 F752 L753 H758 L759 V760 L845 I848 F887 | V734-M756 HydrophobicContact CG1-CE 4.5Å; L735-M756 HydrophobicContact CD2-CE 4.12Å; L735-M756 HydrophobicContact CD2-CG 3.85Å; L735-M756 HydrophobicContact CD2-SD 4.18Å; A738-M756 HydrophobicContact CB-CE 3.51Å; F752-M756 HydrophobicContact CB-CE 4.03Å; F752-M756 HydrophobicContact CD1-CE 4.25Å; F752-M756 VanDerWaalsContact O-CG 3.29Å; F752-M756 WeakPolarHBondContact O-CG 3.48Å; F752-M756 PolarHBondContact O-N 3.17Å; L753-M756 HydrophobicContact CD2-SD 4.24Å; L753-M756 PolarHBondContact O-N 3.12Å; M756-H758 VanDerWaalsContact C-N 3.32Å; M756-H758 PolarHBondContact O-N 3.18Å; M756-L759 PolarHBondContact O-N 3.5Å; M756-V760 WeakPolarHBondContact O-CB 3.46Å; M756-V760 VanDerWaalsContact O-CG2 3.3Å; M756-V760 WeakPolarHBondContact O-CG2 3.49Å; M756-V760 PolarHBondContact O-N 3.09Å; M756-L845 HydrophobicContact CB-CD1 4.46Å; M756-I848 HydrophobicContact CE-CD1 3.65Å; M756-I848 HydrophobicContact SD-CD1 4.07Å; M756-F887 HydrophobicContact CB-CZ 3.88Å |
| 757 | Q | 86.3 | Confident | 82.3 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 15% | 0.15 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.6 | -45.3 | 174.6 | 179.2 | 170.4 | -55.1 | 0 | 0 | 111.7 | L753 T754 T755 V760 W761 S885 F887 | L753-Q757 PolarHBondContact O-N 3.03Å; T754-Q757 WeakPolarHBondContact O-CB 3.49Å; T754-Q757 PolarHBondContact O-N 3.4Å; T755-Q757 VanDerWaalsContact C-N 3.34Å; T755-Q757 PolarHBondContact O-N 2.92Å; Q757-V760 PolarHBondContact O-N 3.45Å; Q757-W761 WeakPolarHBondContact O-CB 3.22Å; Q757-W761 PolarHBondContact O-N 2.98Å; Q757-W761 VanDerWaalsContact O-N 3.08Å; Q757-S885 PolarHBondContact NE2-OG 3.49Å; Q757-S885 VanDerWaalsContact NE2-OG 3.14Å; Q757-S885 PolarHBondContact OE1-OG 3.37Å; Q757-F887 HydrophobicContact CB-CD1 3.54Å; Q757-F887 HydrophobicContact CB-CE1 3.79Å; Q757-F887 HydrophobicContact CB-CG 4.08Å; Q757-F887 HydrophobicContact CG-CB 4.1Å; Q757-F887 HydrophobicContact CG-CD1 3.86Å; Q757-F887 HydrophobicContact CG-CG 4.13Å |
| 758 | H | 83.3 | Confident | 80.9 | Confident | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.7 | -38.4 | 178.5 | -72.5 | 74.5 | 0 | 0 | 0 | 112.2 | L625 L633 T754 T755 M756 W761 M762 | L625-H758 HydrophobicContact CD2-CB 3.93Å; L633-H758 WeakPolarHBondContact CD1-CE1 3.45Å; L633-H758 WeakPolarHBondContact CD2-ND1 3.48Å; T754-H758 PolarHBondContact O-N 3.06Å; T754-H758 PolarHBondContact O-ND1 2.94Å; T755-H758 PolarHBondContact O-N 3.26Å; M756-H758 VanDerWaalsContact C-N 3.32Å; M756-H758 PolarHBondContact O-N 3.18Å; H758-W761 PolarHBondContact O-N 3.37Å; H758-M762 HydrophobicContact CB-CE 4.43Å; H758-M762 WeakPolarHBondContact O-CB 3.26Å; H758-M762 VanDerWaalsContact O-CG 3.3Å; H758-M762 WeakPolarHBondContact O-CG 3.39Å; H758-M762 PolarHBondContact O-N 2.82Å |
| 759 | L | 84.7 | Confident | 79.4 | Confident | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 174.1 | -71.1 | 170 | 0 | 0 | 0 | 111.6 | A731 T755 M756 W761 M762 L763 | A731-L759 HydrophobicContact CB-CD1 3.77Å; A731-L759 HydrophobicContact CB-CD2 3.73Å; A731-L759 HydrophobicContact CB-CG 4.43Å; T755-L759 HydrophobicContact CG2-CD1 4.08Å; T755-L759 HydrophobicContact CG2-CG 4.43Å; T755-L759 WeakPolarHBondContact O-CG 3.43Å; T755-L759 PolarHBondContact O-N 3.22Å; M756-L759 PolarHBondContact O-N 3.5Å; L759-W761 VanDerWaalsContact C-N 3.32Å; L759-W761 PolarHBondContact O-N 3.14Å; L759-M762 HydrophobicContact CD2-CE 4.22Å; L759-L763 HydrophobicContact CD2-CD1 4.29Å; L759-L763 WeakPolarHBondContact O-CB 3.27Å; L759-L763 PolarHBondContact O-N 3.35Å |
| 760 | V | 84.3 | Confident | 77.6 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | M756 Q757 N764 L765 I767 L845 F887 | M756-V760 WeakPolarHBondContact O-CB 3.46Å; M756-V760 VanDerWaalsContact O-CG2 3.3Å; M756-V760 WeakPolarHBondContact O-CG2 3.49Å; M756-V760 PolarHBondContact O-N 3.09Å; Q757-V760 PolarHBondContact O-N 3.45Å; V760-N764 VanDerWaalsContact O-CA 3.27Å; V760-N764 WeakPolarHBondContact O-CA 3.35Å; V760-N764 PolarHBondContact O-N 3.46Å; V760-L765 HydrophobicContact CB-CB 4.49Å; V760-L765 HydrophobicContact CG1-CB 4.43Å; V760-L765 HydrophobicContact CG2-CB 4.21Å; V760-L765 HydrophobicContact CG2-CD1 4.08Å; V760-L765 PolarHBondContact O-N 2.94Å; V760-L765 VanDerWaalsContact O-N 3.14Å; V760-I767 HydrophobicContact CG1-CD1 3.85Å; V760-I767 HydrophobicContact CG1-CG1 3.85Å; V760-L845 HydrophobicContact CG2-CD1 3.39Å; V760-L845 HydrophobicContact CG2-CD2 4.48Å; V760-F887 HydrophobicContact CB-CD2 4.23Å; V760-F887 HydrophobicContact CB-CE2 4.48Å; V760-F887 HydrophobicContact CG1-CD2 4.27Å; V760-F887 HydrophobicContact CG2-CD2 4.05Å; V760-F887 HydrophobicContact CG2-CE2 3.86Å |
| 761 | W | 80 | Confident | 76.1 | Confident | 115 Ų | 115 | 42.7 Ų | 42.7 | 44% | 0.436 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.2 | -52.9 | 177.1 | 175.4 | 73.9 | 0 | 0 | 0 | 112.7 | F629 Q757 H758 L759 L763 N764 | F629-W761 HydrophobicContact CE1-CH2 4.4Å; F629-W761 AromaticContact CE1-CZ3 3.82Å; F629-W761 HydrophobicContact CE1-CZ3 3.82Å; F629-W761 HydrophobicContact CZ-CH2 4.18Å; F629-W761 AromaticContact CZ-CZ3 3.81Å; F629-W761 HydrophobicContact CZ-CZ3 3.81Å; Q757-W761 WeakPolarHBondContact O-CB 3.22Å; Q757-W761 PolarHBondContact O-N 2.98Å; Q757-W761 VanDerWaalsContact O-N 3.08Å; H758-W761 PolarHBondContact O-N 3.37Å; L759-W761 VanDerWaalsContact C-N 3.32Å; L759-W761 PolarHBondContact O-N 3.14Å; W761-L763 PolarHBondContact O-N 3.45Å; W761-N764 PolarHBondContact O-N 3.39Å |
| 762 | M | 78.5 | Confident | 74.5 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | -178.5 | -72.3 | -171.6 | -63 | 0 | 0 | 113 | L625 P626 I670 H758 L759 | L625-M762 HydrophobicContact CD2-CE 3.52Å; P626-M762 HydrophobicContact CG-SD 4.24Å; I670-M762 HydrophobicContact CD1-CB 4.05Å; I670-M762 WeakPolarHBondContact CD1-O 3.37Å; H758-M762 HydrophobicContact CB-CE 4.43Å; H758-M762 WeakPolarHBondContact O-CB 3.26Å; H758-M762 VanDerWaalsContact O-CG 3.3Å; H758-M762 WeakPolarHBondContact O-CG 3.39Å; H758-M762 PolarHBondContact O-N 2.82Å; L759-M762 HydrophobicContact CD2-CE 4.22Å |
| 763 | L | 79.7 | Confident | 72.6 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 1.9 | -175 | -61.7 | 174.3 | 0 | 0 | 0 | 113.6 | L668 I680 L723 L728 L759 W761 L765 L838 L841 | L668-L763 HydrophobicContact CD1-CD2 3.76Å; I680-L763 WeakPolarHBondContact CD1-O 3.36Å; L723-L763 HydrophobicContact CD1-CD2 3.57Å; L723-L763 HydrophobicContact CD1-CG 4.41Å; L728-L763 HydrophobicContact CD2-CD1 4.3Å; L728-L763 HydrophobicContact CD2-CD2 4.31Å; L759-L763 HydrophobicContact CD2-CD1 4.29Å; L759-L763 WeakPolarHBondContact O-CB 3.27Å; L759-L763 PolarHBondContact O-N 3.35Å; W761-L763 PolarHBondContact O-N 3.45Å; L763-L765 VanDerWaalsContact C-N 3.27Å; L763-L765 HydrophobicContact CB-CD2 4.24Å; L763-L765 HydrophobicContact CB-CG 4.01Å; L763-L765 PolarHBondContact O-N 3.36Å; L763-L838 HydrophobicContact CB-CD1 3.81Å; L763-L838 HydrophobicContact CD1-CD1 4.35Å; L763-L838 HydrophobicContact CD2-CD1 4.37Å; L763-L838 HydrophobicContact CG-CD1 4.42Å; L763-L841 HydrophobicContact CD1-CD1 4.02Å |
| 764 | N | 73.3 | Confident | 70.9 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 46.9 | -177.5 | -163.7 | 10.9 | 0 | 0 | 0 | 113.2 | I680 V760 W761 | I680-N764 HydrophobicContact CD1-CB 4.49Å; V760-N764 VanDerWaalsContact O-CA 3.27Å; V760-N764 WeakPolarHBondContact O-CA 3.35Å; V760-N764 PolarHBondContact O-N 3.46Å; W761-N764 PolarHBondContact O-N 3.39Å |
| 765 | L | 78.3 | Confident | 69.1 | Low | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | trans | -68.3 | 134 | -176.9 | -65 | 174.9 | 0 | 0 | 0 | 110.5 | V760 L763 I767 L838 L845 | V760-L765 HydrophobicContact CB-CB 4.49Å; V760-L765 HydrophobicContact CG1-CB 4.43Å; V760-L765 HydrophobicContact CG2-CB 4.21Å; V760-L765 HydrophobicContact CG2-CD1 4.08Å; V760-L765 PolarHBondContact O-N 2.94Å; V760-L765 VanDerWaalsContact O-N 3.14Å; L763-L765 VanDerWaalsContact C-N 3.27Å; L763-L765 HydrophobicContact CB-CD2 4.24Å; L763-L765 HydrophobicContact CB-CG 4.01Å; L763-L765 PolarHBondContact O-N 3.36Å; L765-I767 PolarHBondContact O-N 3.24Å; L765-L838 HydrophobicContact CD2-CD1 3.51Å; L765-L838 HydrophobicContact CD2-CG 4.08Å; L765-L845 HydrophobicContact CD1-CD1 4.28Å | ||
| 766 | K | 66.2 | Low | 66.8 | Low | 164 Ų | 164 | 71.9 Ų | 71.9 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | trans | -67.2 | 107.9 | -177.8 | -75.3 | -179.6 | 178.8 | 170.9 | 0 | 111.4 | K768 | K766-K768 VanDerWaalsContact C-N 3.31Å; K766-K768 PolarHBondContact O-N 3.47Å | ||
| 767 | I | 61.2 | Low | 64.2 | Low | 69 Ų | 69 | 75.9 Ų | 75.9 | 35% | 0.354 | 37% | 0.369 | S | S | . | . | trans | -76.5 | 81.3 | 170.7 | -46.9 | 173.2 | 0 | 0 | 0 | 108.9 | V760 L765 A890 | V760-I767 HydrophobicContact CG1-CD1 3.85Å; V760-I767 HydrophobicContact CG1-CG1 3.85Å; L765-I767 PolarHBondContact O-N 3.24Å; I767-A890 HydrophobicContact CG2-CB 3.81Å | ||
| 768 | K | 52 | Low | 61.7 | Low | 150 Ų | 150 | 80.2 Ų | 80.2 | 65% | 0.652 | 40% | 0.398 | S | S | * | . | trans | -110 | 117.9 | 168.6 | -76.8 | -164.6 | 173.1 | -167.7 | 0 | 110.1 | K766 S770 | K766-K768 VanDerWaalsContact C-N 3.31Å; K766-K768 PolarHBondContact O-N 3.47Å; K768-S770 PolarHBondContact O-N 3.25Å; K768-S770 PolarHBondContact O-OG 2.61Å | ||
| 769 | P | 55.1 | Low | 59 | Low | 85 Ų | 85 | 87.9 Ų | 87.9 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | trans | -63.9 | 123.9 | 175.7 | 27.2 | -33.1 | 0 | 0 | 0 | 109 | E894 | P769-E894 HydrophobicContact CB-CG 4.46Š| ||
| 770 | S | 52.3 | Low | 56.1 | Low | 65 Ų | 65 | 95.7 Ų | 95.7 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | trans | -103 | 1.5 | -174.1 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | K768 K772 T846 E894 | K768-S770 PolarHBondContact O-N 3.25Å; K768-S770 PolarHBondContact O-OG 2.61Å; S770-K772 PolarHBondContact O-N 3.2Å; S770-T846 VanDerWaalsContact CB-CG2 3.46Å; S770-T846 VanDerWaalsContact OG-CG2 3.27Å; S770-T846 WeakPolarHBondContact OG-CG2 3.27Å; S770-E894 PolarHBondContact N-OE1 3.47Å | ||
| 771 | A | 56 | Low | 53.2 | Low | 19 Ų | 19 | 100.5 Ų | 100.5 | 16% | 0.157 | 50% | 0.504 | C | S | . | . | trans | -57.9 | 134 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L773 L897 V898 | A771-L773 PolarHBondContact O-N 3.28Å; A771-L897 HydrophobicContact CB-CB 3.98Å; A771-V898 HydrophobicContact CB-CG2 3.91Å | ||
| 772 | K | 51.1 | Low | 50.4 | Low | 203 Ų | 203 | 101.4 Ų | 101.4 | 88% | 0.883 | 53% | 0.526 | S | S | * | . | trans | -67.7 | 96.8 | 168.9 | -75.9 | -179.4 | 179.1 | 174.6 | 0 | 108.6 | S770 F774 | S770-K772 PolarHBondContact O-N 3.2Å; K772-F774 PolarHBondContact O-N 3.31Å | ||
| 773 | L | 51.1 | Low | 47.8 | Very low | 54 Ų | 54 | 107.6 Ų | 107.6 | 28% | 0.283 | 56% | 0.564 | S | S | . | * | trans | -60.7 | 126.6 | 173.7 | -55.3 | 176.4 | 0 | 0 | 0 | 109.6 | A771 F775 L897 Q939 | A771-L773 PolarHBondContact O-N 3.28Å; L773-F775 VanDerWaalsContact CB-O 3.27Å; L773-F775 WeakPolarHBondContact CB-O 3.27Å; L773-F775 PolarHBondContact O-N 3.1Å; L773-L897 HydrophobicContact CD2-CD1 3.98Å; L773-L897 HydrophobicContact CD2-CD2 3.79Å; L773-L897 HydrophobicContact CD2-CG 4.44Å; L773-Q939 HydrophobicContact CD2-CG 4.45Å | ||
| 774 | F | 53.1 | Low | 45.1 | Very low | 123 Ų | 123 | 112 Ų | 112 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -60.1 | -34.3 | 167.9 | -63.1 | -82.5 | 0 | 0 | 0 | 110.2 | K772 A942 A943 | K772-F774 PolarHBondContact O-N 3.31Å; F774-A942 HydrophobicContact CB-CB 3.98Å; F774-A943 HydrophobicContact CE2-CB 4.34Å |
| 775 | F | 48.4 | Very low | 42.6 | Very low | 76 Ų | 76 | 113.6 Ų | 113.6 | 33% | 0.333 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -112.5 | 105.7 | 171.4 | -125.9 | -86.5 | 0 | 0 | 0 | 111.6 | L773 Q939 A942 C989 W990 | L773-F775 VanDerWaalsContact CB-O 3.27Å; L773-F775 WeakPolarHBondContact CB-O 3.27Å; L773-F775 PolarHBondContact O-N 3.1Å; F775-Q939 PolarHBondContact O-NE2 3.46Å; F775-A942 HydrophobicContact CD2-CB 4.13Å; F775-C989 HydrophobicContact CE2-CB 4.3Å; F775-C989 HydrophobicContact CZ-CB 4.16Å; F775-C989 WeakPolarHBondContact CZ-SG 3.29Å; F775-W990 AromaticContact CD2-CH2 3.85Å; F775-W990 HydrophobicContact CD2-CH2 3.85Å; F775-W990 HydrophobicContact CD2-CZ2 4.12Å; F775-W990 AromaticContact CE2-CH2 3.9Å; F775-W990 HydrophobicContact CE2-CH2 3.9Å; F775-W990 HydrophobicContact CE2-CZ2 4.02Å |
| 776 | K | 39 | Very low | 40 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 127.3 | 169.6 | -76.7 | -176.4 | 177.4 | 179.3 | 0 | 109.6 | V778 | K776-V778 PolarHBondContact O-N 3Š|
| 777 | P | 34.9 | Very low | 37.8 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128.3 | 171.4 | 27.8 | -33 | 0 | 0 | 0 | 109.8 | Q779 | P777-Q779 PolarHBondContact O-N 3.47Š|
| 778 | V | 33.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 126.6 | 168.6 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | K776 E780 | K776-V778 PolarHBondContact O-N 3Å; V778-E780 HydrophobicContact CG1-CG 4.3Å; V778-E780 PolarHBondContact O-N 3.08Å |
| 779 | Q | 26.3 | Very low | 34.5 | Very low | 198 Ų | 198 | 126.1 Ų | 126.1 | 93% | 0.925 | 70% | 0.695 | S | S | * | * | trans | -75.9 | 88.5 | 173.8 | -74.7 | -175.8 | -55.1 | 0 | 0 | 109.6 | P777 | P777-Q779 PolarHBondContact O-N 3.47Š| ||
| 780 | E | 25.5 | Very low | 32.9 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -75.3 | 124.4 | 169.7 | -69.5 | -172.5 | 150.9 | 0 | 0 | 110.6 | V778 C782 | V778-E780 HydrophobicContact CG1-CG 4.3Å; V778-E780 PolarHBondContact O-N 3.08Å; E780-C782 PolarHBondContact O-N 3.46Å; E780-C782 VanDerWaalsContact O-N 3.17Å | ||
| 781 | S | 22.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -81.5 | 90.7 | -174 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | T783 | S781-T783 PolarHBondContact O-N 3.1Å; S781-T783 VanDerWaalsContact O-N 3.13Å | ||
| 782 | C | 20.9 | Very low | 29.9 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 91% | 0.905 | 75% | 0.746 | S | S | * | * | trans | -73.1 | 100.5 | 172 | -82 | 0 | 0 | 0 | 0 | 112.3 | E780 | E780-C782 PolarHBondContact O-N 3.46Å; E780-C782 VanDerWaalsContact O-N 3.17Å | ||
| 783 | T | 23.1 | Very low | 28.5 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -89 | 126.7 | 162.7 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | S781 | S781-T783 PolarHBondContact O-N 3.1Å; S781-T783 VanDerWaalsContact O-N 3.13Å | ||
| 784 | A | 23.3 | Very low | 27.2 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 143.4 | 66.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 785 | T | 21.2 | Very low | 25.8 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -141.7 | 85.2 | 142 | 35.4 | 0 | 0 | 0 | 0 | 109.4 | E787 | T785-E787 PolarHBondContact O-N 2.86Š| ||
| 786 | K | 23.2 | Very low | 24.5 | Very low | 211 Ų | 211 | 142.3 Ų | 142.3 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -79.7 | 94.2 | 169.1 | -77.6 | -177.2 | 175.9 | 178.1 | 0 | 109.3 | ||||
| 787 | E | 20.9 | Very low | 23.8 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 128.5 | 145 | -73.9 | -166.5 | 155.9 | 0 | 0 | 108.3 | T785 V789 | T785-E787 PolarHBondContact O-N 2.86Å; E787-V789 PolarHBondContact O-N 3.26Å | ||
| 788 | S | 20.3 | Very low | 23.2 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | -86.5 | 106.3 | -165.5 | 53 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 789 | V | 23.2 | Very low | 22.7 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -126.3 | 91.1 | 152.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | E787 | E787-V789 PolarHBondContact O-N 3.26Š| ||
| 790 | N | 21.8 | Very low | 22.6 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | 29.8 | 123.1 | 153.8 | -65.5 | -13.6 | 0 | 0 | 0 | 122.4 | ||||
| 791 | S | 22.3 | Very low | 22.6 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | 79.2 | 107.3 | 130.3 | 61.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 792 | S | 21.9 | Very low | 23.2 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | 91.9 | 97.1 | 127.8 | -55.5 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 793 | N | 22.6 | Very low | 23.2 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | 29.5 | 120.6 | 129.3 | -53 | 3.4 | 0 | 0 | 0 | 118.4 | |||||
| 794 | D | 22.6 | Very low | 23.3 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | -159.5 | 162.3 | 88.5 | -99.6 | -23.9 | 0 | 0 | 0 | 112.7 | |||||
| 795 | T | 23.9 | Very low | 23.2 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -91.3 | 152.5 | -159.5 | 46.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 796 | M | 21.6 | Very low | 23.2 | Very low | 173 Ų | 173 | 138 Ų | 138 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -39 | 137.6 | 158.9 | -71.8 | -77.3 | 169.1 | 0 | 0 | 113.7 | ||||
| 797 | N | 24.7 | Very low | 23.1 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -153.7 | 102.4 | 135.9 | -153 | 21.4 | 0 | 0 | 0 | 110.7 | ||||
| 798 | E | 21.5 | Very low | 23.2 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -72.7 | 139.8 | 157.3 | -67.2 | -178.5 | 134.6 | 0 | 0 | 108.5 | ||||
| 799 | N | 23.4 | Very low | 23.3 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 138.4 | 102.4 | 153.7 | -74 | -45.2 | 0 | 0 | 0 | 112.5 | ||||
| 800 | A | 24.2 | Very low | 23.3 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 176.2 | 142.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 801 | D | 25.6 | Very low | 23.3 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -47.5 | 160 | -167.8 | -70.7 | -58.1 | 0 | 0 | 0 | 120.4 | ||||
| 802 | P | 35 | Very low | 23.4 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -81.7 | 126.1 | 178.6 | 33.3 | -33.7 | 0 | 0 | 0 | 112.4 | ||||
| 803 | G | 21.6 | Very low | 23.5 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 141.4 | 84.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 804 | T | 23.6 | Very low | 23.6 | Very low | 153 Ų | 153 | 132 Ų | 132 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | -160.6 | 145.4 | 127.4 | 4.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 805 | A | 21.3 | Very low | 23.8 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -85.1 | 170.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 806 | S | 21.5 | Very low | 23.8 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 84.9 | 121.9 | 155.9 | 73.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 807 | T | 21.7 | Very low | 24 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 54.1 | 133.9 | 136.6 | 54.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 808 | N | 22.5 | Very low | 24.1 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | cis | -167.3 | 157.5 | 6.7 | -81.3 | -30.1 | 0 | 0 | 0 | 100.6 | ||||
| 809 | T | 23.5 | Very low | 24.3 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | -169.4 | 127.6 | 70.4 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 810 | A | 22.9 | Very low | 24.3 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 122.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | T812 | A810-T812 PolarHBondContact O-N 3.25Å; A810-T812 PolarHBondContact O-OG1 2.82Å | ||
| 811 | T | 22.5 | Very low | 24.4 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 106.1 | 172.1 | -17.3 | 0 | 0 | 0 | 0 | 108.7 | I813 | T811-I813 PolarHBondContact O-N 3.42Š| ||
| 812 | T | 23.5 | Very low | 24.3 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 116.9 | -173.5 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | A810 T814 | A810-T812 PolarHBondContact O-N 3.25Å; A810-T812 PolarHBondContact O-OG1 2.82Å; T812-T814 PolarHBondContact O-N 3.11Å |
| 813 | I | 23.9 | Very low | 23.8 | Very low | 156 Ų | 156 | 128.8 Ų | 128.8 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126 | 167.8 | -66.3 | 174.9 | 0 | 0 | 0 | 107.9 | T811 T815 | T811-I813 PolarHBondContact O-N 3.42Å; I813-T815 PolarHBondContact O-N 3.43Å |
| 814 | T | 25.2 | Very low | 24 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 124.9 | -173.7 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | T812 | T812-T814 PolarHBondContact O-N 3.11Š|
| 815 | T | 26.2 | Very low | 24 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 130.9 | 175.9 | 47.1 | 0 | 0 | 0 | 0 | 112 | I813 N817 | I813-T815 PolarHBondContact O-N 3.43Å; T815-N817 PolarHBondContact O-N 3.1Å; T815-N817 PolarHBondContact OG1-OD1 3.2Å |
| 816 | N | 24.3 | Very low | 24.3 | Very low | 174 Ų | 174 | 139 Ų | 139 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | -77.4 | 101.3 | 158.2 | -106.1 | -12.9 | 0 | 0 | 0 | 108.2 | N818 | N816-N818 PolarHBondContact O-N 2.87Š| ||
| 817 | N | 25 | Very low | 24.8 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 116.8 | 179.3 | -72.4 | -19.8 | 0 | 0 | 0 | 111 | T815 | T815-N817 PolarHBondContact O-N 3.1Å; T815-N817 PolarHBondContact OG1-OD1 3.2Å | ||
| 818 | N | 26.6 | Very low | 25.1 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 97.9 | 153.8 | -93.2 | -24.8 | 0 | 0 | 0 | 109.7 | N816 | N816-N818 PolarHBondContact O-N 2.87Š| ||
| 819 | S | 26.3 | Very low | 25.7 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 31.6 | 97.8 | 153.3 | 56.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 820 | Q | 23.3 | Very low | 26.4 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | 45.7 | 101.1 | 125.6 | -64.2 | 178.9 | -25.4 | 0 | 0 | 119.8 | |||||
| 821 | V | 26.1 | Very low | 27.3 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | trans | -133.5 | 128.1 | 130.6 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 822 | S | 24.2 | Very low | 28.6 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -98 | 110.6 | -171.9 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 823 | T | 24.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | -116 | 137.7 | 168 | -13 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 824 | Q | 25.6 | Very low | 32 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -77.7 | 155.1 | -164.1 | -69.2 | 170.7 | -25.2 | 0 | 0 | 114.2 | I826 | Q824-I826 PolarHBondContact O-N 3.39Š| ||
| 825 | Q | 24.2 | Very low | 34 | Very low | 197 Ų | 197 | 124.9 Ų | 124.9 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -81.1 | 110.9 | -167.8 | -60.6 | 161.7 | -72.1 | 0 | 0 | 113.1 | ||||
| 826 | I | 27.7 | Very low | 36.2 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -126.2 | -19.8 | 167.9 | -67 | -178 | 0 | 0 | 0 | 113.2 | Q824 M828 | Q824-I826 PolarHBondContact O-N 3.39Å; I826-M828 PolarHBondContact O-N 3.36Å; I826-M828 VanDerWaalsContact O-N 3.15Å | ||
| 827 | S | 31.8 | Very low | 38.5 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -1.8 | -165.1 | -42.7 | 0 | 0 | 0 | 0 | 118.3 | ||
| 828 | M | 27.2 | Very low | 41 | Very low | 146 Ų | 146 | 114 Ų | 114 | 72% | 0.719 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -33.4 | -176.1 | -83 | -97.3 | -80.2 | 0 | 0 | 114.1 | I826 T830 | I826-M828 PolarHBondContact O-N 3.36Å; I826-M828 VanDerWaalsContact O-N 3.15Å; M828-T830 PolarHBondContact O-N 2.87Å |
| 829 | T | 35.1 | Very low | 43.4 | Very low | 113 Ų | 113 | 111.1 Ų | 111.1 | 69% | 0.693 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.8 | -31 | -170.9 | -30.8 | 0 | 0 | 0 | 0 | 112.9 | F832 S833 | T829-F832 PolarHBondContact O-N 2.96Å; T829-S833 PolarHBondContact O-N 3.25Å |
| 830 | T | 38.4 | Very low | 46 | Very low | 82 Ų | 82 | 108.1 Ų | 108.1 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71 | -26.2 | -179.8 | 42.1 | 0 | 0 | 0 | 0 | 113.9 | M828 S833 V834 | M828-T830 PolarHBondContact O-N 2.87Å; T830-S833 PolarHBondContact O-OG 3.41Å; T830-S833 VanDerWaalsContact O-OG 3.09Å; T830-V834 WeakPolarHBondContact O-CG2 3.48Å; T830-V834 PolarHBondContact O-N 3.25Å |
| 831 | L | 40.7 | Very low | 48.9 | Very low | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.2 | -41.3 | 176.4 | -159.8 | 89.4 | 0 | 0 | 0 | 111.3 | P682 T835 | P682-L831 HydrophobicContact CB-CD1 3.81Å; P682-L831 HydrophobicContact CG-CD1 3.83Å; L831-T835 WeakPolarHBondContact O-CG2 3.41Å; L831-T835 PolarHBondContact O-N 3Å; L831-T835 PolarHBondContact O-OG1 3.4Å; L831-T835 VanDerWaalsContact O-OG1 3.06Å |
| 832 | F | 50.4 | Low | 51.5 | Low | 147 Ų | 147 | 93.8 Ų | 93.8 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -37.9 | 178.5 | -78.1 | -77.4 | 0 | 0 | 0 | 112.6 | T829 T835 S836 | T829-F832 PolarHBondContact O-N 2.96Å; F832-T835 PolarHBondContact O-OG1 3.33Å; F832-T835 VanDerWaalsContact O-OG1 3.04Å; F832-S836 PolarHBondContact O-N 2.81Å |
| 833 | S | 56 | Low | 54.3 | Low | 50 Ų | 50 | 91 Ų | 91 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 176.8 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | T829 T830 T835 S836 E837 | T829-S833 PolarHBondContact O-N 3.25Å; T830-S833 PolarHBondContact O-OG 3.41Å; T830-S833 VanDerWaalsContact O-OG 3.09Å; S833-T835 PolarHBondContact O-N 2.93Å; S833-S836 PolarHBondContact O-N 3.02Å; S833-S836 VanDerWaalsContact O-N 3.09Å; S833-S836 PolarHBondContact O-OG 2.84Å; S833-E837 PolarHBondContact O-N 3.11Å |
| 834 | V | 62.3 | Low | 57.1 | Low | 29 Ų | 29 | 87 Ų | 87 | 18% | 0.176 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | -177.7 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | L668 T830 S836 E837 L838 | L668-V834 HydrophobicContact CD1-CG1 4.25Å; L668-V834 HydrophobicContact CD2-CG1 3.52Å; L668-V834 HydrophobicContact CG-CG1 3.97Å; T830-V834 WeakPolarHBondContact O-CG2 3.48Å; T830-V834 PolarHBondContact O-N 3.25Å; V834-S836 VanDerWaalsContact C-N 3.33Å; V834-S836 PolarHBondContact O-N 2.87Å; V834-E837 PolarHBondContact O-N 3.35Å; V834-L838 WeakPolarHBondContact O-CB 3.27Å; V834-L838 PolarHBondContact O-N 3.5Å |
| 835 | T | 67.4 | Low | 59.9 | Low | 72 Ų | 72 | 78.1 Ų | 78.1 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | 174.6 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | L831 F832 S833 T839 | L831-T835 WeakPolarHBondContact O-CG2 3.41Å; L831-T835 PolarHBondContact O-N 3Å; L831-T835 PolarHBondContact O-OG1 3.4Å; L831-T835 VanDerWaalsContact O-OG1 3.06Å; F832-T835 PolarHBondContact O-OG1 3.33Å; F832-T835 VanDerWaalsContact O-OG1 3.04Å; S833-T835 PolarHBondContact O-N 2.93Å; T835-T839 WeakPolarHBondContact O-CB 3.37Å; T835-T839 PolarHBondContact O-N 2.83Å; T835-T839 VanDerWaalsContact O-N 3.1Å; T835-T839 PolarHBondContact O-OG1 3.34Å |
| 836 | S | 72 | Confident | 62.7 | Low | 69 Ų | 69 | 69.7 Ų | 69.7 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 173.6 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | F832 S833 V834 T839 S840 | F832-S836 PolarHBondContact O-N 2.81Å; S833-S836 PolarHBondContact O-N 3.02Å; S833-S836 VanDerWaalsContact O-N 3.09Å; S833-S836 PolarHBondContact O-OG 2.84Å; V834-S836 VanDerWaalsContact C-N 3.33Å; V834-S836 PolarHBondContact O-N 2.87Å; S836-T839 PolarHBondContact O-N 3.18Å; S836-S840 PolarHBondContact O-N 3.41Å |
| 837 | E | 72.9 | Confident | 65.4 | Low | 63 Ų | 63 | 67.1 Ų | 67.1 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 175 | -72.9 | 179.6 | -174.2 | 0 | 0 | 111.1 | L728 S833 V834 T839 S840 L841 | L728-E837 WeakPolarHBondContact CD1-OE2 3.15Å; S833-E837 PolarHBondContact O-N 3.11Å; V834-E837 PolarHBondContact O-N 3.35Å; E837-T839 VanDerWaalsContact C-N 3.26Å; E837-T839 PolarHBondContact O-N 3.07Å; E837-S840 PolarHBondContact O-N 3.31Å; E837-S840 PolarHBondContact O-OG 3.37Å; E837-L841 WeakPolarHBondContact O-CG 3.05Å; E837-L841 PolarHBondContact O-N 2.86Å |
| 838 | L | 77.5 | Confident | 67.9 | Low | 51 Ų | 51 | 62.1 Ų | 62.1 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 177 | -170.8 | 70.1 | 0 | 0 | 0 | 112.3 | L763 L765 V834 S842 | L763-L838 HydrophobicContact CB-CD1 3.81Å; L763-L838 HydrophobicContact CD1-CD1 4.35Å; L763-L838 HydrophobicContact CD2-CD1 4.37Å; L763-L838 HydrophobicContact CG-CD1 4.42Å; L765-L838 HydrophobicContact CD2-CD1 3.51Å; L765-L838 HydrophobicContact CD2-CG 4.08Å; V834-L838 WeakPolarHBondContact O-CB 3.27Å; V834-L838 PolarHBondContact O-N 3.5Å; L838-S842 PolarHBondContact O-N 3.23Å |
| 839 | T | 78.6 | Confident | 70.7 | Confident | 98 Ų | 98 | 55.1 Ų | 55.1 | 60% | 0.601 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 175 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | T835 S836 E837 S842 S843 | T835-T839 WeakPolarHBondContact O-CB 3.37Å; T835-T839 PolarHBondContact O-N 2.83Å; T835-T839 VanDerWaalsContact O-N 3.1Å; T835-T839 PolarHBondContact O-OG1 3.34Å; S836-T839 PolarHBondContact O-N 3.18Å; E837-T839 VanDerWaalsContact C-N 3.26Å; E837-T839 PolarHBondContact O-N 3.07Å; T839-S842 WeakPolarHBondContact O-CB 3.41Å; T839-S842 PolarHBondContact O-N 3.33Å; T839-S843 PolarHBondContact O-N 2.94Å |
| 840 | S | 79.6 | Confident | 73 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.4 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | S836 E837 S842 S843 F844 | S836-S840 PolarHBondContact O-N 3.41Å; E837-S840 PolarHBondContact O-N 3.31Å; E837-S840 PolarHBondContact O-OG 3.37Å; S840-S842 VanDerWaalsContact C-N 3.33Å; S840-S842 PolarHBondContact O-N 3.25Å; S840-S843 WeakPolarHBondContact CA-OG 3.49Å; S840-S843 PolarHBondContact O-N 3.15Å; S840-S843 VanDerWaalsContact O-N 3.14Å; S840-S843 PolarHBondContact O-OG 2.93Å; S840-F844 VanDerWaalsContact O-CD2 3.24Å; S840-F844 WeakPolarHBondContact O-CD2 3.34Å; S840-F844 WeakPolarHBondContact O-CG 3.38Å; S840-F844 PolarHBondContact O-N 2.89Å |
| 841 | L | 83.8 | Confident | 75.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 174.3 | -68 | 174.2 | 0 | 0 | 0 | 111 | L728 A731 L735 L763 E837 S843 L845 | L728-L841 HydrophobicContact CD2-CD1 4.14Å; A731-L841 HydrophobicContact CB-CD2 4.19Å; L735-L841 HydrophobicContact CD1-CB 4.18Å; L735-L841 HydrophobicContact CD1-CD2 3.78Å; L735-L841 WeakPolarHBondContact CD1-O 3.36Å; L763-L841 HydrophobicContact CD1-CD1 4.02Å; E837-L841 WeakPolarHBondContact O-CG 3.05Å; E837-L841 PolarHBondContact O-N 2.86Å; L841-S843 PolarHBondContact O-N 2.64Å; L841-L845 VanDerWaalsContact O-CB 3.27Å; L841-L845 WeakPolarHBondContact O-CB 3.32Å; L841-L845 PolarHBondContact O-N 3.04Å |
| 842 | S | 81.7 | Confident | 77.2 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 173.2 | -164.6 | 0 | 0 | 0 | 0 | 112.1 | L838 T839 S840 T846 | L838-S842 PolarHBondContact O-N 3.23Å; T839-S842 WeakPolarHBondContact O-CB 3.41Å; T839-S842 PolarHBondContact O-N 3.33Å; S840-S842 VanDerWaalsContact C-N 3.33Å; S840-S842 PolarHBondContact O-N 3.25Å; S842-T846 PolarHBondContact O-N 3.25Å; S842-T846 VanDerWaalsContact O-N 3.09Å; S842-T846 PolarHBondContact O-OG1 3.21Å |
| 843 | S | 83.3 | Confident | 78.7 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 43% | 0.427 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.2 | -42.3 | 179.1 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | T839 S840 L841 T846 Q847 | T839-S843 PolarHBondContact O-N 2.94Å; S840-S843 WeakPolarHBondContact CA-OG 3.49Å; S840-S843 PolarHBondContact O-N 3.15Å; S840-S843 VanDerWaalsContact O-N 3.14Å; S840-S843 PolarHBondContact O-OG 2.93Å; L841-S843 PolarHBondContact O-N 2.64Å; S843-T846 PolarHBondContact O-N 3.14Å; S843-Q847 WeakPolarHBondContact O-CB 3.29Å; S843-Q847 PolarHBondContact O-N 3.34Å |
| 844 | F | 82.5 | Confident | 79.8 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 23% | 0.232 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.2 | -63.8 | -39 | 0 | 0 | 0 | 111.3 | L735 T736 L739 S840 T846 Q847 I848 | L735-F844 HydrophobicContact CB-CB 3.89Å; L735-F844 HydrophobicContact CD1-CB 4.05Å; T736-F844 HydrophobicContact CG2-CD2 4.31Å; T736-F844 HydrophobicContact CG2-CE2 4.24Å; T736-F844 HydrophobicContact CG2-CG 4.49Å; T736-F844 HydrophobicContact CG2-CZ 4.34Å; L739-F844 HydrophobicContact CD1-CB 3.9Å; L739-F844 HydrophobicContact CD1-CD1 3.86Å; L739-F844 HydrophobicContact CD1-CG 4.15Å; S840-F844 VanDerWaalsContact O-CD2 3.24Å; S840-F844 WeakPolarHBondContact O-CD2 3.34Å; S840-F844 WeakPolarHBondContact O-CG 3.38Å; S840-F844 PolarHBondContact O-N 2.89Å; F844-T846 VanDerWaalsContact C-N 3.32Å; F844-T846 PolarHBondContact O-N 3.27Å; F844-Q847 PolarHBondContact O-N 3.49Å; F844-Q847 VanDerWaalsContact O-N 3.11Å; F844-I848 WeakPolarHBondContact O-CG1 3.37Å; F844-I848 PolarHBondContact O-N 3.03Å |
| 845 | L | 84.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 176.9 | -177.6 | 142 | 0 | 0 | 0 | 111.7 | L735 M756 V760 L765 L841 F849 K891 | L735-L845 HydrophobicContact CD1-CB 4.27Å; L735-L845 HydrophobicContact CD2-CB 4.07Å; L735-L845 HydrophobicContact CD2-CD1 4.31Å; L735-L845 HydrophobicContact CD2-CG 4.48Å; M756-L845 HydrophobicContact CB-CD1 4.46Å; V760-L845 HydrophobicContact CG2-CD1 3.39Å; V760-L845 HydrophobicContact CG2-CD2 4.48Å; L765-L845 HydrophobicContact CD1-CD1 4.28Å; L841-L845 VanDerWaalsContact O-CB 3.27Å; L841-L845 WeakPolarHBondContact O-CB 3.32Å; L841-L845 PolarHBondContact O-N 3.04Å; L845-F849 HydrophobicContact CD2-CE2 4.23Å; L845-F849 HydrophobicContact CG-CE2 4.29Å; L845-F849 WeakPolarHBondContact O-CD2 3.39Å; L845-F849 WeakPolarHBondContact O-CE2 3.1Å; L845-K891 VanDerWaalsContact CD2-NZ 3.34Å |
| 846 | T | 83.1 | Confident | 81.5 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -42.3 | 172.8 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | S770 S842 S843 F844 I848 F849 I850 | S770-T846 VanDerWaalsContact CB-CG2 3.46Å; S770-T846 VanDerWaalsContact OG-CG2 3.27Å; S770-T846 WeakPolarHBondContact OG-CG2 3.27Å; S842-T846 PolarHBondContact O-N 3.25Å; S842-T846 VanDerWaalsContact O-N 3.09Å; S842-T846 PolarHBondContact O-OG1 3.21Å; S843-T846 PolarHBondContact O-N 3.14Å; F844-T846 VanDerWaalsContact C-N 3.32Å; F844-T846 PolarHBondContact O-N 3.27Å; T846-I848 VanDerWaalsContact C-N 3.29Å; T846-I848 PolarHBondContact O-N 2.8Å; T846-F849 PolarHBondContact O-N 2.83Å; T846-I850 HydrophobicContact CG2-CD1 3.82Å; T846-I850 HydrophobicContact CG2-CG1 4.43Å; T846-I850 PolarHBondContact O-N 3.3Å |
| 847 | Q | 84.1 | Confident | 82 | Confident | 81 Ų | 81 | 44.3 Ų | 44.3 | 38% | 0.379 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -32.5 | -178.1 | -172.5 | -174.4 | -23.7 | 0 | 0 | 112.6 | L739 S843 F844 F849 I850 Q851 | L739-Q847 VanDerWaalsContact CD2-C 3.47Å; L739-Q847 HydrophobicContact CD2-CB 3.68Å; L739-Q847 HydrophobicContact CD2-CG 3.56Å; S843-Q847 WeakPolarHBondContact O-CB 3.29Å; S843-Q847 PolarHBondContact O-N 3.34Å; F844-Q847 PolarHBondContact O-N 3.49Å; F844-Q847 VanDerWaalsContact O-N 3.11Å; Q847-F849 VanDerWaalsContact C-N 3.31Å; Q847-F849 PolarHBondContact O-N 3.33Å; Q847-I850 PolarHBondContact O-N 3.22Å; Q847-Q851 HydrophobicContact CG-CG 4.19Å; Q847-Q851 PolarHBondContact O-N 3.07Å |
| 848 | I | 85.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 176.5 | -65.4 | 164.4 | 0 | 0 | 0 | 110.4 | L735 A738 L739 W749 M756 F844 T846 Q851 S852 F863 | L735-I848 HydrophobicContact CB-CD1 4.27Å; L735-I848 HydrophobicContact CD2-CD1 3.68Å; A738-I848 HydrophobicContact CB-CD1 3.77Å; A738-I848 HydrophobicContact CB-CG1 4.23Å; L739-I848 HydrophobicContact CD2-CB 4.21Å; L739-I848 HydrophobicContact CD2-CG1 3.55Å; L739-I848 VanDerWaalsContact CD2-N 3.3Å; L739-I848 HydrophobicContact CG-CG1 3.59Å; W749-I848 HydrophobicContact CH2-CG2 4.15Å; W749-I848 HydrophobicContact CZ3-CG2 4.39Å; M756-I848 HydrophobicContact CE-CD1 3.65Å; M756-I848 HydrophobicContact SD-CD1 4.07Å; F844-I848 WeakPolarHBondContact O-CG1 3.37Å; F844-I848 PolarHBondContact O-N 3.03Å; T846-I848 VanDerWaalsContact C-N 3.29Å; T846-I848 PolarHBondContact O-N 2.8Å; I848-Q851 PolarHBondContact O-N 3.09Å; I848-S852 PolarHBondContact O-N 3.32Å; I848-S852 VanDerWaalsContact O-N 3.13Å; I848-F863 HydrophobicContact CG2-CZ 3.96Å |
| 849 | F | 85.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.8 | -30.7 | -179.2 | -60 | -74.6 | 0 | 0 | 0 | 111.7 | L753 L845 T846 Q847 S852 F863 K891 E894 I895 V898 | L753-F849 HydrophobicContact CD2-CZ 4.32Å; L845-F849 HydrophobicContact CD2-CE2 4.23Å; L845-F849 HydrophobicContact CG-CE2 4.29Å; L845-F849 WeakPolarHBondContact O-CD2 3.39Å; L845-F849 WeakPolarHBondContact O-CE2 3.1Å; T846-F849 PolarHBondContact O-N 2.83Å; Q847-F849 VanDerWaalsContact C-N 3.31Å; Q847-F849 PolarHBondContact O-N 3.33Å; F849-S852 WeakPolarHBondContact O-CB 3.25Å; F849-S852 PolarHBondContact O-N 3.15Å; F849-S852 PolarHBondContact O-OG 3.28Å; F849-F863 HydrophobicContact CD1-CE1 4.14Å; F849-F863 AromaticContact CD1-CZ 3.84Å; F849-F863 HydrophobicContact CD1-CZ 3.84Å; F849-F863 HydrophobicContact CE1-CE1 4.22Å; F849-F863 HydrophobicContact CE1-CE2 4.32Å; F849-F863 AromaticContact CE1-CZ 3.52Å; F849-F863 HydrophobicContact CE1-CZ 3.52Å; F849-F863 HydrophobicContact CZ-CZ 4.33Å; F849-K891 HydrophobicContact CD1-CB 4.37Å; F849-K891 HydrophobicContact CD1-CD 4.22Å; F849-K891 HydrophobicContact CD2-CD 3.72Å; F849-K891 HydrophobicContact CE1-CB 3.72Å; F849-K891 HydrophobicContact CE1-CD 3.95Å; F849-K891 HydrophobicContact CE1-CG 3.99Å; F849-K891 HydrophobicContact CE2-CD 3.46Å; F849-K891 VanDerWaalsContact CE2-CD 3.46Å; F849-K891 HydrophobicContact CE2-CG 4.01Å; F849-K891 HydrophobicContact CG-CD 4.11Å; F849-K891 HydrophobicContact CZ-CB 3.89Å; F849-K891 HydrophobicContact CZ-CD 3.58Å; F849-K891 HydrophobicContact CZ-CG 3.63Å; F849-E894 HydrophobicContact CB-CB 4.32Å; F849-E894 HydrophobicContact CB-CG 3.78Å; F849-E894 HydrophobicContact CG-CG 4.47Å; F849-I895 HydrophobicContact CD1-CD1 4.06Å; F849-I895 HydrophobicContact CD1-CG1 3.64Å; F849-I895 HydrophobicContact CE1-CD1 4.19Å; F849-I895 HydrophobicContact CE1-CG1 4.25Å; F849-V898 WeakPolarHBondContact O-CG1 3.5Å |
| 850 | I | 82.7 | Confident | 83.1 | Confident | 71 Ų | 71 | 39.9 Ų | 39.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.7 | -41.9 | 172.5 | -64.1 | 172.7 | 0 | 0 | 0 | 111.9 | T846 Q847 S852 S853 V898 | T846-I850 HydrophobicContact CG2-CD1 3.82Å; T846-I850 HydrophobicContact CG2-CG1 4.43Å; T846-I850 PolarHBondContact O-N 3.3Å; Q847-I850 PolarHBondContact O-N 3.22Å; I850-S852 PolarHBondContact O-N 3.4Å; I850-S853 PolarHBondContact O-OG 3.47Å; I850-V898 VanDerWaalsContact O-CG1 3.25Å; I850-V898 WeakPolarHBondContact O-CG1 3.29Å |
| 851 | Q | 82 | Confident | 83.5 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 27% | 0.271 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -75.8 | -6 | 177.8 | -68.7 | -168.2 | -80.7 | 0 | 0 | 113.3 | L739 Q847 I848 S853 E854 | L739-Q851 VanDerWaalsContact CD2-OE1 3.23Å; Q847-Q851 HydrophobicContact CG-CG 4.19Å; Q847-Q851 PolarHBondContact O-N 3.07Å; I848-Q851 PolarHBondContact O-N 3.09Å; Q851-S853 PolarHBondContact O-N 2.93Å; Q851-E854 PolarHBondContact NE2-OE2 3.15Å; Q851-E854 WeakPolarHBondContact O-CB 3.48Å; Q851-E854 PolarHBondContact O-N 3.49Å |
| 852 | S | 84.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.8 | 171.8 | 75.4 | 0 | 0 | 0 | 0 | 113.6 | I848 F849 I850 E854 N899 R902 | I848-S852 PolarHBondContact O-N 3.32Å; I848-S852 VanDerWaalsContact O-N 3.13Å; F849-S852 WeakPolarHBondContact O-CB 3.25Å; F849-S852 PolarHBondContact O-N 3.15Å; F849-S852 PolarHBondContact O-OG 3.28Å; I850-S852 PolarHBondContact O-N 3.4Å; S852-E854 VanDerWaalsContact C-N 3.31Å; S852-N899 VanDerWaalsContact C-ND2 3.28Å; S852-N899 PolarHBondContact O-ND2 2.94Å; S852-N899 PolarHBondContact O-OD1 3.06Å; S852-N899 PolarHBondContact OG-ND2 3.27Å; S852-R902 PolarHBondContact O-NH2 3.11Å |
| 853 | S | 82.6 | Confident | 83.9 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 26% | 0.259 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.3 | 171.2 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | I850 Q851 H901 R902 | I850-S853 PolarHBondContact O-OG 3.47Å; Q851-S853 PolarHBondContact O-N 2.93Å; S853-H901 PolarHBondContact O-NE2 3.34Å; S853-R902 VanDerWaalsContact O-CZ 3.29Å; S853-R902 PolarHBondContact O-NH1 3.31Å; S853-R902 PolarHBondContact O-NH2 3.16Å |
| 854 | E | 79.9 | Confident | 84.1 | Confident | 137 Ų | 137 | 40 Ų | 40 | 64% | 0.64 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -22.5 | 179.9 | -61.8 | 177.1 | 156.7 | 0 | 0 | 111.5 | Q851 S852 | Q851-E854 PolarHBondContact NE2-OE2 3.15Å; Q851-E854 WeakPolarHBondContact O-CB 3.48Å; Q851-E854 PolarHBondContact O-N 3.49Å; S852-E854 VanDerWaalsContact C-N 3.31Å |
| 855 | L | 83.6 | Confident | 84.3 | Confident | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -55.8 | 146.1 | 178.3 | -67.2 | 175.7 | 0 | 0 | 0 | 112.8 | D743 W749 A859 F863 R902 | D743-L855 HydrophobicContact CB-CD2 4.44Å; D743-L855 WeakPolarHBondContact OD1-CA 3.25Å; W749-L855 HydrophobicContact CZ2-CD1 4.36Å; L855-A859 HydrophobicContact CB-CB 4.5Å; L855-A859 HydrophobicContact CD2-CB 4.41Å; L855-F863 HydrophobicContact CD1-CD1 4.06Å; L855-R902 PolarHBondContact O-NH1 2.92Å; L855-R902 PolarHBondContact O-NH2 3.29Å |
| 856 | S | 82 | Confident | 84.4 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | trans | -63.8 | 163.4 | 169.1 | 59.9 | 0 | 0 | 0 | 0 | 113 | D743 D858 A859 L860 | D743-S856 VanDerWaalsContact OD1-CB 3.27Å; D743-S856 WeakPolarHBondContact OD1-CB 3.35Å; D743-S856 PolarHBondContact OD1-N 3.31Å; D743-S856 PolarHBondContact OD1-OG 3.47Å; S856-D858 PolarHBondContact O-N 3.06Å; S856-A859 PolarHBondContact O-N 2.95Å; S856-A859 VanDerWaalsContact OG-CB 3.23Å; S856-A859 WeakPolarHBondContact OG-CB 3.32Å; S856-L860 VanDerWaalsContact O-CB 3.29Å; S856-L860 WeakPolarHBondContact O-CB 3.44Å; S856-L860 PolarHBondContact O-N 3.09Å | ||
| 857 | V | 81.7 | Confident | 84.7 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 40% | 0.4 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.2 | -47.1 | -175.9 | 176 | 0 | 0 | 0 | 0 | 111.9 | H861 L905 | V857-H861 PolarHBondContact O-N 3.49Å; V857-H861 VanDerWaalsContact O-N 3.08Å; V857-H861 PolarHBondContact O-ND1 3.18Å; V857-L905 HydrophobicContact CB-CD1 4.34Å; V857-L905 HydrophobicContact CG1-CD1 4.04Å; V857-L905 HydrophobicContact CG1-CD2 3.86Å; V857-L905 HydrophobicContact CG1-CG 4.5Å; V857-L905 HydrophobicContact CG2-CD1 3.85Å |
| 858 | D | 80.4 | Confident | 85 | Confident | 118 Ų | 118 | 37 Ų | 37 | 63% | 0.631 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -72.3 | -41.5 | -177.2 | -62.3 | -42 | 0 | 0 | 0 | 111.7 | S856 L860 H861 N862 | S856-D858 PolarHBondContact O-N 3.06Å; D858-L860 VanDerWaalsContact C-N 3.34Å; D858-L860 PolarHBondContact O-N 3.4Å; D858-H861 WeakPolarHBondContact O-CB 3.41Å; D858-H861 PolarHBondContact O-N 3.3Å; D858-N862 WeakPolarHBondContact O-CB 3.35Å; D858-N862 PolarHBondContact O-N 2.75Å; D858-N862 PolarHBondContact O-ND2 3.1Å |
| 859 | A | 84.8 | Confident | 85 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D743 L855 S856 N862 F863 | D743-A859 HydrophobicContact CB-CB 4.45Å; L855-A859 HydrophobicContact CB-CB 4.5Å; L855-A859 HydrophobicContact CD2-CB 4.41Å; S856-A859 PolarHBondContact O-N 2.95Å; S856-A859 VanDerWaalsContact OG-CB 3.23Å; S856-A859 WeakPolarHBondContact OG-CB 3.32Å; A859-N862 PolarHBondContact O-N 3.2Å; A859-F863 VanDerWaalsContact O-CB 3.29Å; A859-F863 WeakPolarHBondContact O-CB 3.06Å; A859-F863 PolarHBondContact O-N 3.05Å |
| 860 | L | 87.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 174.7 | -176.3 | 63.8 | 0 | 0 | 0 | 111.4 | S856 D858 F863 I864 I895 N899 | S856-L860 VanDerWaalsContact O-CB 3.29Å; S856-L860 WeakPolarHBondContact O-CB 3.44Å; S856-L860 PolarHBondContact O-N 3.09Å; D858-L860 VanDerWaalsContact C-N 3.34Å; D858-L860 PolarHBondContact O-N 3.4Å; L860-F863 PolarHBondContact O-N 2.84Å; L860-I864 HydrophobicContact CD1-CD1 3.8Å; L860-I864 HydrophobicContact CD1-CG1 4.3Å; L860-I864 HydrophobicContact CG-CD1 3.82Å; L860-I864 WeakPolarHBondContact O-CB 3.49Å; L860-I864 VanDerWaalsContact O-CG1 3.25Å; L860-I864 WeakPolarHBondContact O-CG1 3.28Å; L860-I864 PolarHBondContact O-N 3.02Å; L860-I895 HydrophobicContact CD1-CG2 3.91Å; L860-N899 HydrophobicContact CD2-CB 4.3Å |
| 861 | H | 86.5 | Confident | 85.3 | Confident | 75 Ų | 75 | 38.6 Ų | 38.6 | 35% | 0.347 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 173.6 | -84 | 87.1 | 0 | 0 | 0 | 112.1 | V857 D858 I864 S865 L905 | V857-H861 PolarHBondContact O-N 3.49Å; V857-H861 VanDerWaalsContact O-N 3.08Å; V857-H861 PolarHBondContact O-ND1 3.18Å; D858-H861 WeakPolarHBondContact O-CB 3.41Å; D858-H861 PolarHBondContact O-N 3.3Å; H861-I864 PolarHBondContact O-N 3.41Å; H861-S865 WeakPolarHBondContact O-CB 3.35Å; H861-S865 PolarHBondContact O-N 3.07Å; H861-L905 PolarHBondContact NE2-O 3.11Å; H861-L905 VanDerWaalsContact NE2-O 3.1Å |
| 862 | N | 85.6 | Confident | 85.5 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 178.3 | -75.3 | -33.7 | 0 | 0 | 0 | 111.8 | D746 D858 A859 A866 | D746-N862 WeakPolarHBondContact CA-ND2 3.21Å; D746-N862 WeakPolarHBondContact CB-ND2 3.42Å; D746-N862 PolarHBondContact OD1-ND2 2.98Å; D746-N862 VanDerWaalsContact OD1-ND2 3.13Å; D858-N862 WeakPolarHBondContact O-CB 3.35Å; D858-N862 PolarHBondContact O-N 2.75Å; D858-N862 PolarHBondContact O-ND2 3.1Å; A859-N862 PolarHBondContact O-N 3.2Å; N862-A866 WeakPolarHBondContact O-CB 3.5Å; N862-A866 PolarHBondContact O-N 3.13Å |
| 863 | F | 88.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | -172.6 | -144.6 | 0 | 0 | 0 | 112.5 | W749 L753 I848 F849 L855 A859 L860 L867 I895 | W749-F863 HydrophobicContact CD2-CB 4.13Å; W749-F863 AromaticContact CD2-CD2 3.4Å; W749-F863 HydrophobicContact CD2-CD2 3.4Å; W749-F863 HydrophobicContact CD2-CE2 4.05Å; W749-F863 HydrophobicContact CD2-CG 4.06Å; W749-F863 AromaticContact CE2-CD2 3.75Å; W749-F863 AromaticContact CE2-CG 3.98Å; W749-F863 AromaticContact CE3-CD2 3.28Å; W749-F863 HydrophobicContact CE3-CD2 3.28Å; W749-F863 AromaticContact CE3-CE2 3.45Å; W749-F863 HydrophobicContact CE3-CE2 3.45Å; W749-F863 VanDerWaalsContact CE3-CE2 3.45Å; W749-F863 HydrophobicContact CE3-CG 4.31Å; W749-F863 HydrophobicContact CG-CB 4.16Å; W749-F863 HydrophobicContact CG-CD2 4.02Å; W749-F863 AromaticContact CH2-CD2 3.87Å; W749-F863 HydrophobicContact CH2-CD2 3.87Å; W749-F863 AromaticContact CH2-CE2 3.72Å; W749-F863 HydrophobicContact CH2-CE2 3.72Å; W749-F863 HydrophobicContact CH2-CG 4.39Å; W749-F863 HydrophobicContact CH2-CZ 4.13Å; W749-F863 HydrophobicContact CZ2-CB 4.45Å; W749-F863 AromaticContact CZ2-CD2 3.96Å; W749-F863 HydrophobicContact CZ2-CD2 3.96Å; W749-F863 HydrophobicContact CZ2-CE2 4.27Å; W749-F863 HydrophobicContact CZ2-CG 4.14Å; W749-F863 AromaticContact CZ3-CD2 3.55Å; W749-F863 HydrophobicContact CZ3-CD2 3.55Å; W749-F863 AromaticContact CZ3-CE2 3.28Å; W749-F863 HydrophobicContact CZ3-CE2 3.28Å; W749-F863 HydrophobicContact CZ3-CG 4.48Å; W749-F863 HydrophobicContact CZ3-CZ 4.04Å; L753-F863 HydrophobicContact CD1-CD2 3.76Å; L753-F863 HydrophobicContact CD1-CE2 3.85Å; L753-F863 HydrophobicContact CD2-CD2 4.48Å; L753-F863 HydrophobicContact CD2-CE2 3.71Å; L753-F863 HydrophobicContact CD2-CZ 4.48Å; L753-F863 HydrophobicContact CG-CD2 4.31Å; L753-F863 HydrophobicContact CG-CE2 3.95Å; I848-F863 HydrophobicContact CG2-CZ 3.96Å; F849-F863 HydrophobicContact CD1-CE1 4.14Å; F849-F863 AromaticContact CD1-CZ 3.84Å; F849-F863 HydrophobicContact CD1-CZ 3.84Å; F849-F863 HydrophobicContact CE1-CE1 4.22Å; F849-F863 HydrophobicContact CE1-CE2 4.32Å; F849-F863 AromaticContact CE1-CZ 3.52Å; F849-F863 HydrophobicContact CE1-CZ 3.52Å; F849-F863 HydrophobicContact CZ-CZ 4.33Å; L855-F863 HydrophobicContact CD1-CD1 4.06Å; A859-F863 VanDerWaalsContact O-CB 3.29Å; A859-F863 WeakPolarHBondContact O-CB 3.06Å; A859-F863 PolarHBondContact O-N 3.05Å; L860-F863 PolarHBondContact O-N 2.84Å; F863-L867 PolarHBondContact O-N 3.43Å; F863-I895 HydrophobicContact CD1-CD1 3.53Å; F863-I895 HydrophobicContact CD1-CG1 4.31Å; F863-I895 HydrophobicContact CE1-CD1 3.28Å; F863-I895 HydrophobicContact CE1-CG1 3.8Å; F863-I895 HydrophobicContact CG-CD1 4.28Å; F863-I895 HydrophobicContact CZ-CD1 3.88Å |
| 864 | I | 88.5 | Confident | 85.5 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.1 | -42.9 | 178.6 | -68.3 | 171.3 | 0 | 0 | 0 | 111.3 | L860 H861 A866 L867 C868 L892 I895 W906 V909 I910 | L860-I864 HydrophobicContact CD1-CD1 3.8Å; L860-I864 HydrophobicContact CD1-CG1 4.3Å; L860-I864 HydrophobicContact CG-CD1 3.82Å; L860-I864 WeakPolarHBondContact O-CB 3.49Å; L860-I864 VanDerWaalsContact O-CG1 3.25Å; L860-I864 WeakPolarHBondContact O-CG1 3.28Å; L860-I864 PolarHBondContact O-N 3.02Å; H861-I864 PolarHBondContact O-N 3.41Å; I864-A866 VanDerWaalsContact C-N 3.27Å; I864-A866 PolarHBondContact O-N 3.47Å; I864-L867 PolarHBondContact O-N 3.38Å; I864-L867 VanDerWaalsContact O-N 3.11Å; I864-C868 PolarHBondContact O-N 2.87Å; I864-C868 PolarHBondContact O-SG 3.01Å; I864-C868 VanDerWaalsContact O-SG 3.41Å; I864-L892 HydrophobicContact CG2-CD2 4.28Å; I864-I895 HydrophobicContact CD1-CG2 3.97Å; I864-I895 HydrophobicContact CG1-CD1 4.46Å; I864-I895 HydrophobicContact CG1-CG2 4.03Å; I864-W906 HydrophobicContact CD1-CB 3.4Å; I864-W906 VanDerWaalsContact CD1-CB 3.4Å; I864-W906 HydrophobicContact CD1-CG 4.12Å; I864-V909 HydrophobicContact CG2-CG1 4.08Å; I864-I910 HydrophobicContact CD1-CD1 4.05Å; I864-I910 HydrophobicContact CG1-CD1 4.29Å; I864-I910 HydrophobicContact CG2-CD1 3.96Å; I864-I910 HydrophobicContact CG2-CG1 3.63Å |
| 865 | S | 86.8 | Confident | 85.7 | Confident | 73 Ų | 73 | 34.3 Ų | 34.3 | 51% | 0.51 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -55.8 | -42.6 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | H861 C868 R869 | H861-S865 WeakPolarHBondContact O-CB 3.35Å; H861-S865 PolarHBondContact O-N 3.07Å; S865-C868 PolarHBondContact O-N 3.5Å; S865-R869 PolarHBondContact O-N 3.43Å |
| 866 | A | 86.5 | Confident | 85.7 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | W749 I750 L753 N862 I864 R869 L870 | W749-A866 HydrophobicContact CB-CB 3.97Å; I750-A866 HydrophobicContact CB-CB 4.06Å; I750-A866 HydrophobicContact CD1-CB 4.11Å; I750-A866 WeakPolarHBondContact CD1-O 3.4Å; L753-A866 HydrophobicContact CD1-CB 3.65Å; N862-A866 WeakPolarHBondContact O-CB 3.5Å; N862-A866 PolarHBondContact O-N 3.13Å; I864-A866 VanDerWaalsContact C-N 3.27Å; I864-A866 PolarHBondContact O-N 3.47Å; A866-R869 WeakPolarHBondContact O-CB 3.44Å; A866-R869 PolarHBondContact O-N 3.3Å; A866-L870 PolarHBondContact O-N 2.9Å; A866-L870 VanDerWaalsContact O-N 3.07Å |
| 867 | L | 90 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68 | -37.3 | 174.1 | -78.4 | 176.5 | 0 | 0 | 0 | 113.5 | L753 F863 I864 R869 L870 S871 F887 K891 L892 I895 | L753-L867 HydrophobicContact CD1-CD2 3.9Å; L753-L867 HydrophobicContact CD1-CG 3.68Å; L753-L867 HydrophobicContact CD2-CD2 3.75Å; L753-L867 HydrophobicContact CD2-CG 4.21Å; L753-L867 HydrophobicContact CG-CD2 4.33Å; F863-L867 PolarHBondContact O-N 3.43Å; I864-L867 PolarHBondContact O-N 3.38Å; I864-L867 VanDerWaalsContact O-N 3.11Å; L867-R869 VanDerWaalsContact C-N 3.26Å; L867-R869 PolarHBondContact O-N 2.78Å; L867-L870 HydrophobicContact CD2-CD1 4.48Å; L867-L870 PolarHBondContact O-N 3.12Å; L867-S871 WeakPolarHBondContact O-CB 3.5Å; L867-S871 PolarHBondContact O-N 3.1Å; L867-F887 HydrophobicContact CD2-CE1 4.48Å; L867-K891 HydrophobicContact CD1-CB 4.24Å; L867-K891 HydrophobicContact CD2-CB 4.29Å; L867-L892 HydrophobicContact CB-CD2 3.58Å; L867-L892 HydrophobicContact CB-CG 3.85Å; L867-L892 HydrophobicContact CD1-CD2 3.99Å; L867-L892 HydrophobicContact CD1-CG 4.12Å; L867-L892 HydrophobicContact CG-CD2 4.47Å; L867-I895 HydrophobicContact CD1-CD1 3.28Å; L867-I895 HydrophobicContact CD1-CG1 4.47Å |
| 868 | C | 89 | Confident | 85.7 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 9% | 0.088 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -35 | 173.7 | -71.8 | 0 | 0 | 0 | 0 | 111.4 | I864 S865 S871 S872 Q913 | I864-C868 PolarHBondContact O-N 2.87Å; I864-C868 PolarHBondContact O-SG 3.01Å; I864-C868 VanDerWaalsContact O-SG 3.41Å; S865-C868 PolarHBondContact O-N 3.5Å; C868-S871 PolarHBondContact O-N 3.45Å; C868-S872 WeakPolarHBondContact O-CB 3.43Å; C868-S872 PolarHBondContact O-N 3Å; C868-S872 PolarHBondContact O-OG 2.9Å; C868-Q913 HydrophobicContact CB-CG 4.34Å; C868-Q913 PolarHBondContact O-NE2 3.14Å |
| 869 | R | 86.8 | Confident | 85.8 | Confident | 102 Ų | 102 | 38.2 Ų | 38.2 | 39% | 0.385 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -50.6 | 170.9 | -163.8 | 163.6 | 95.8 | 179.2 | 10.7 | 111.4 | H637 I750 S865 A866 L867 S871 S872 D873 | H637-R869 PolarHBondContact ND1-NH2 2.89Å; I750-R869 HydrophobicContact CD1-CB 4.12Å; S865-R869 PolarHBondContact O-N 3.43Å; A866-R869 WeakPolarHBondContact O-CB 3.44Å; A866-R869 PolarHBondContact O-N 3.3Å; L867-R869 VanDerWaalsContact C-N 3.26Å; L867-R869 PolarHBondContact O-N 2.78Å; R869-S871 VanDerWaalsContact C-N 3.29Å; R869-S871 PolarHBondContact O-N 3.29Å; R869-S872 CarbonylContact O-C 3.44Å; R869-S872 WeakPolarHBondContact O-CA 3.27Å; R869-S872 WeakPolarHBondContact O-CB 3.45Å; R869-S872 PolarHBondContact O-N 2.76Å; R869-D873 VanDerWaalsContact O-CG 3.24Å; R869-D873 PolarHBondContact O-N 3.49Å |
| 870 | L | 86.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -36 | 175.7 | -69.4 | 175.9 | 0 | 0 | 0 | 113.6 | I750 L753 T754 A866 L867 S872 D873 A874 P888 | I750-L870 HydrophobicContact CD1-CD1 4.32Å; I750-L870 HydrophobicContact CD1-CD2 3.97Å; I750-L870 HydrophobicContact CD1-CG 3.69Å; L753-L870 HydrophobicContact CB-CD1 3.63Å; T754-L870 HydrophobicContact CG2-CD2 4.31Å; A866-L870 PolarHBondContact O-N 2.9Å; A866-L870 VanDerWaalsContact O-N 3.07Å; L867-L870 HydrophobicContact CD2-CD1 4.48Å; L867-L870 PolarHBondContact O-N 3.12Å; L870-S872 VanDerWaalsContact C-N 3.29Å; L870-D873 PolarHBondContact O-N 3.19Å; L870-A874 WeakPolarHBondContact O-CB 3.27Å; L870-A874 PolarHBondContact O-N 2.88Å; L870-P888 HydrophobicContact CB-CB 4.05Å; L870-P888 HydrophobicContact CB-CG 3.71Å |
| 871 | S | 87.8 | Confident | 85 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -32.8 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | L867 C868 R869 L875 Q913 | L867-S871 WeakPolarHBondContact O-CB 3.5Å; L867-S871 PolarHBondContact O-N 3.1Å; C868-S871 PolarHBondContact O-N 3.45Å; R869-S871 VanDerWaalsContact C-N 3.29Å; R869-S871 PolarHBondContact O-N 3.29Å; S871-L875 WeakPolarHBondContact O-CG 3.41Å; S871-L875 PolarHBondContact O-N 3.44Å; S871-L875 VanDerWaalsContact O-N 3.14Å; S871-Q913 PolarHBondContact OG-NE2 3.3Å |
| 872 | S | 86.5 | Confident | 84.5 | Confident | 49 Ų | 49 | 51 Ų | 51 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 175.8 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | C868 R869 L870 A874 L875 E876 Q913 | C868-S872 WeakPolarHBondContact O-CB 3.43Å; C868-S872 PolarHBondContact O-N 3Å; C868-S872 PolarHBondContact O-OG 2.9Å; R869-S872 CarbonylContact O-C 3.44Å; R869-S872 WeakPolarHBondContact O-CA 3.27Å; R869-S872 WeakPolarHBondContact O-CB 3.45Å; R869-S872 PolarHBondContact O-N 2.76Å; L870-S872 VanDerWaalsContact C-N 3.29Å; S872-A874 VanDerWaalsContact C-N 3.27Å; S872-A874 PolarHBondContact O-N 2.78Å; S872-L875 WeakPolarHBondContact O-CB 3.25Å; S872-L875 PolarHBondContact O-N 3.28Å; S872-L875 VanDerWaalsContact O-N 3.08Å; S872-E876 PolarHBondContact O-N 3.2Å; S872-Q913 PolarHBondContact OG-NE2 3.22Å; S872-Q913 VanDerWaalsContact OG-NE2 3.11Å |
| 873 | D | 82.7 | Confident | 83.9 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 172.7 | -58.8 | -15.1 | 0 | 0 | 0 | 110.5 | H637 R869 L870 E876 A877 | H637-D873 IonicContact CE1-OD2 3.02Å; R869-D873 VanDerWaalsContact O-CG 3.24Å; R869-D873 PolarHBondContact O-N 3.49Å; L870-D873 PolarHBondContact O-N 3.19Å; D873-E876 PolarHBondContact O-N 3.43Å; D873-A877 PolarHBondContact O-N 3.41Å |
| 874 | A | 84.4 | Confident | 83.7 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L870 S872 A877 V878 P884 | L870-A874 WeakPolarHBondContact O-CB 3.27Å; L870-A874 PolarHBondContact O-N 2.88Å; S872-A874 VanDerWaalsContact C-N 3.27Å; S872-A874 PolarHBondContact O-N 2.78Å; A874-A877 WeakPolarHBondContact O-CB 3.34Å; A874-A877 PolarHBondContact O-N 3Å; A874-V878 PolarHBondContact O-N 3.25Å; A874-P884 HydrophobicContact CB-CB 4.34Å |
| 875 | L | 84.5 | Confident | 83.3 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.131 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.3 | -33.4 | 172.3 | -75 | 172.8 | 0 | 0 | 0 | 112.4 | S871 S872 V878 K879 T916 V917 C920 L925 | S871-L875 WeakPolarHBondContact O-CG 3.41Å; S871-L875 PolarHBondContact O-N 3.44Å; S871-L875 VanDerWaalsContact O-N 3.14Å; S872-L875 WeakPolarHBondContact O-CB 3.25Å; S872-L875 PolarHBondContact O-N 3.28Å; S872-L875 VanDerWaalsContact O-N 3.08Å; L875-V878 PolarHBondContact O-N 3.4Å; L875-K879 PolarHBondContact O-N 3.26Å; L875-T916 HydrophobicContact CD1-CG2 3.97Å; L875-V917 HydrophobicContact CD1-CG2 3.83Å; L875-V917 HydrophobicContact CD2-CB 4.45Å; L875-V917 HydrophobicContact CD2-CG1 4.28Å; L875-V917 HydrophobicContact CD2-CG2 4.14Å; L875-V917 HydrophobicContact CG-CG2 4.1Å; L875-C920 HydrophobicContact CD2-CB 3.93Å; L875-L925 HydrophobicContact CD2-CD2 4.48Å |
| 876 | E | 83 | Confident | 83.2 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 172.7 | -168.8 | 171.9 | 174.3 | 0 | 0 | 111.6 | S872 D873 V878 K879 N880 | S872-E876 PolarHBondContact O-N 3.2Å; D873-E876 PolarHBondContact O-N 3.43Å; E876-V878 VanDerWaalsContact C-N 3.34Å; E876-V878 PolarHBondContact O-N 3.08Å; E876-K879 PolarHBondContact O-N 3Å; E876-N880 PolarHBondContact O-N 3.17Å; E876-N880 VanDerWaalsContact O-N 3.07Å; E876-N880 PolarHBondContact O-ND2 2.96Å |
| 877 | A | 81.5 | Confident | 83.2 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D873 A874 K879 N880 N881 R882 | D873-A877 PolarHBondContact O-N 3.41Å; A874-A877 WeakPolarHBondContact O-CB 3.34Å; A874-A877 PolarHBondContact O-N 3Å; A877-K879 PolarHBondContact O-N 3.32Å; A877-N880 CarbonylContact O-C 3.59Å; A877-N880 PolarHBondContact O-N 3.17Å; A877-N880 VanDerWaalsContact O-N 3.14Å; A877-N881 PolarHBondContact O-N 3.44Å; A877-R882 CarbonylContact C-O 3.22Å; A877-R882 HydrophobicContact CB-CB 4.18Å; A877-R882 PolarHBondContact O-N 3.33Å |
| 878 | V | 81.7 | Confident | 83 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | A874 L875 E876 N880 N881 P884 L925 | A874-V878 PolarHBondContact O-N 3.25Å; L875-V878 PolarHBondContact O-N 3.4Å; E876-V878 VanDerWaalsContact C-N 3.34Å; E876-V878 PolarHBondContact O-N 3.08Å; V878-N880 PolarHBondContact O-N 3.34Å; V878-N881 PolarHBondContact O-N 3.1Å; V878-P884 HydrophobicContact CG2-CB 3.71Å; V878-P884 HydrophobicContact CG2-CG 3.61Å; V878-L925 HydrophobicContact CG2-CD2 4.37Å |
| 879 | K | 82 | Confident | 82.8 | Confident | 169 Ų | 169 | 56.4 Ų | 56.4 | 74% | 0.735 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.3 | -33.2 | 177.6 | -69.5 | 174.6 | -176.9 | 174 | 0 | 112.2 | L875 E876 A877 N881 | L875-K879 PolarHBondContact O-N 3.26Å; E876-K879 PolarHBondContact O-N 3Å; A877-K879 PolarHBondContact O-N 3.32Å; K879-N881 VanDerWaalsContact C-N 3.27Å; K879-N881 PolarHBondContact O-N 3.49Å |
| 880 | N | 81.3 | Confident | 82.7 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 14.4 | 177.5 | -65.4 | -34 | 0 | 0 | 0 | 113.2 | E876 A877 V878 R882 | E876-N880 PolarHBondContact O-N 3.17Å; E876-N880 VanDerWaalsContact O-N 3.07Å; E876-N880 PolarHBondContact O-ND2 2.96Å; A877-N880 CarbonylContact O-C 3.59Å; A877-N880 PolarHBondContact O-N 3.17Å; A877-N880 VanDerWaalsContact O-N 3.14Å; V878-N880 PolarHBondContact O-N 3.34Å; N880-R882 PolarHBondContact O-N 3.02Å |
| 881 | N | 74.9 | Confident | 82.6 | Confident | 158 Ų | 158 | 52.3 Ų | 52.3 | 85% | 0.845 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 26.9 | -177.5 | -61.1 | -51.7 | 0 | 0 | 0 | 114.9 | A877 V878 K879 | A877-N881 PolarHBondContact O-N 3.44Å; V878-N881 PolarHBondContact O-N 3.1Å; K879-N881 VanDerWaalsContact C-N 3.27Å; K879-N881 PolarHBondContact O-N 3.49Å |
| 882 | R | 76.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 152.2 | 172.5 | -63.8 | -177.9 | 179.9 | 160 | 4.6 | 110.3 | T713 D714 A877 N880 P884 | T713-R882 PolarHBondContact OG1-NH1 3.44Å; T713-R882 VanDerWaalsContact OG1-NH1 3.15Å; T713-R882 PolarHBondContact OG1-NH2 3.45Å; T713-R882 VanDerWaalsContact OG1-NH2 3.11Å; D714-R882 IonicContact OD1-NE 2.83Å; D714-R882 IonicContact OD1-NH2 3.02Å; A877-R882 CarbonylContact C-O 3.22Å; A877-R882 HydrophobicContact CB-CB 4.18Å; A877-R882 PolarHBondContact O-N 3.33Å; N880-R882 PolarHBondContact O-N 3.02Å; R882-P884 WeakPolarHBondContact O-CD 3.45Å |
| 883 | E | 73.6 | Confident | 82.3 | Confident | 131 Ų | 131 | 50.4 Ų | 50.4 | 61% | 0.612 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 122.5 | 178.8 | -170.9 | 174.5 | -165.7 | 0 | 0 | 111 | H676 | H676-E883 IonicContact CD2-OE2 2.61Š|
| 884 | P | 83.5 | Confident | 82.3 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 140.4 | -178.3 | 30.6 | -34.4 | 0 | 0 | 0 | 113.1 | A874 V878 R882 Q886 Y922 L925 | A874-P884 HydrophobicContact CB-CB 4.34Å; V878-P884 HydrophobicContact CG2-CB 3.71Å; V878-P884 HydrophobicContact CG2-CG 3.61Å; R882-P884 WeakPolarHBondContact O-CD 3.45Å; P884-Q886 PolarHBondContact O-N 3.34Å; P884-Y922 HydrophobicContact CG-CD1 3.53Å; P884-Y922 HydrophobicContact CG-CE1 3.54Å; P884-Y922 HydrophobicContact CG-CG 4.2Å; P884-L925 HydrophobicContact CB-CD1 4.42Å; P884-L925 HydrophobicContact CB-CD2 4.07Å; P884-L925 HydrophobicContact CG-CD1 4.45Å; P884-L925 HydrophobicContact CG-CD2 4.13Å |
| 885 | S | 80.9 | Confident | 82.4 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 122.8 | 169.5 | 57 | 0 | 0 | 0 | 0 | 111.6 | Q757 F887 P888 | Q757-S885 PolarHBondContact NE2-OG 3.49Å; Q757-S885 VanDerWaalsContact NE2-OG 3.14Å; Q757-S885 PolarHBondContact OE1-OG 3.37Å; S885-F887 VanDerWaalsContact C-N 3.27Å; S885-F887 PolarHBondContact O-N 3.38Å; S885-P888 VanDerWaalsContact O-CD 3.29Å; S885-P888 WeakPolarHBondContact O-CD 3.36Å |
| 886 | Q | 83.4 | Confident | 82.3 | Confident | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -74.7 | -16.6 | 172.6 | -65.1 | 178.9 | 4.1 | 0 | 0 | 113.4 | P884 I889 A890 L925 L928 | P884-Q886 PolarHBondContact O-N 3.34Å; Q886-I889 PolarHBondContact O-N 3.47Å; Q886-A890 PolarHBondContact O-N 2.79Å; Q886-L925 HydrophobicContact CG-CD1 4.15Å; Q886-L928 HydrophobicContact CB-CD2 3.82Å; Q886-L928 HydrophobicContact CG-CD2 4.2Å |
| 887 | F | 86 | Confident | 82.3 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -50.9 | -48.3 | -175.5 | 170.6 | -93.8 | 0 | 0 | 0 | 114.6 | L753 M756 Q757 V760 L867 S885 I889 A890 K891 | L753-F887 HydrophobicContact CD2-CE1 4.46Å; L753-F887 HydrophobicContact CD2-CZ 4.49Å; M756-F887 HydrophobicContact CB-CZ 3.88Å; Q757-F887 HydrophobicContact CB-CD1 3.54Å; Q757-F887 HydrophobicContact CB-CE1 3.79Å; Q757-F887 HydrophobicContact CB-CG 4.08Å; Q757-F887 HydrophobicContact CG-CB 4.1Å; Q757-F887 HydrophobicContact CG-CD1 3.86Å; Q757-F887 HydrophobicContact CG-CG 4.13Å; V760-F887 HydrophobicContact CB-CD2 4.23Å; V760-F887 HydrophobicContact CB-CE2 4.48Å; V760-F887 HydrophobicContact CG1-CD2 4.27Å; V760-F887 HydrophobicContact CG2-CD2 4.05Å; V760-F887 HydrophobicContact CG2-CE2 3.86Å; L867-F887 HydrophobicContact CD2-CE1 4.48Å; S885-F887 VanDerWaalsContact C-N 3.27Å; S885-F887 PolarHBondContact O-N 3.38Å; F887-I889 VanDerWaalsContact C-N 3.31Å; F887-I889 PolarHBondContact O-N 2.96Å; F887-A890 PolarHBondContact O-N 3.31Å; F887-K891 HydrophobicContact CD2-CG 4.02Å; F887-K891 HydrophobicContact CE2-CG 3.72Å; F887-K891 HydrophobicContact CZ-CG 3.99Å; F887-K891 WeakPolarHBondContact O-CG 3.45Å; F887-K891 PolarHBondContact O-N 3Å; F887-K891 VanDerWaalsContact O-N 3.1Å |
| 888 | P | 86.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | -175.6 | -24.1 | 36 | 0 | 0 | 0 | 112.9 | L870 S885 K891 L892 | L870-P888 HydrophobicContact CB-CB 4.05Å; L870-P888 HydrophobicContact CB-CG 3.71Å; S885-P888 VanDerWaalsContact O-CD 3.29Å; S885-P888 WeakPolarHBondContact O-CD 3.36Å; P888-K891 PolarHBondContact O-N 3.06Å; P888-L892 WeakPolarHBondContact O-CB 3.43Å; P888-L892 VanDerWaalsContact O-CG 3.25Å; P888-L892 WeakPolarHBondContact O-CG 3.41Å; P888-L892 PolarHBondContact O-N 3.2Å |
| 889 | I | 84.9 | Confident | 82.5 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.3 | -46.4 | -177 | -57.1 | 177.3 | 0 | 0 | 0 | 110.9 | Q886 F887 K891 L892 T893 L914 V917 L925 L928 C932 | Q886-I889 PolarHBondContact O-N 3.47Å; F887-I889 VanDerWaalsContact C-N 3.31Å; F887-I889 PolarHBondContact O-N 2.96Å; I889-K891 PolarHBondContact O-N 3.38Å; I889-L892 PolarHBondContact O-N 3.26Å; I889-T893 PolarHBondContact O-N 3.22Å; I889-T893 PolarHBondContact O-OG1 3.18Å; I889-L914 HydrophobicContact CG2-CD2 3.81Å; I889-V917 HydrophobicContact CD1-CB 4.41Å; I889-V917 HydrophobicContact CD1-CG1 3.64Å; I889-V917 HydrophobicContact CD1-CG2 4.32Å; I889-L925 HydrophobicContact CD1-CD1 3.37Å; I889-L925 HydrophobicContact CD1-CD2 4.25Å; I889-L925 HydrophobicContact CD1-CG 3.53Å; I889-L925 HydrophobicContact CG1-CD1 4.46Å; I889-L928 HydrophobicContact CB-CD2 4.16Å; I889-L928 HydrophobicContact CG2-CD2 4.21Å; I889-L928 HydrophobicContact CG2-CG 4.01Å; I889-C932 HydrophobicContact CG2-CB 4.32Å |
| 890 | A | 83.9 | Confident | 82.5 | Confident | 20 Ų | 20 | 32.9 Ų | 32.9 | 17% | 0.165 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -37 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I767 Q886 F887 E894 | I767-A890 HydrophobicContact CG2-CB 3.81Å; Q886-A890 PolarHBondContact O-N 2.79Å; F887-A890 PolarHBondContact O-N 3.31Å; A890-E894 PolarHBondContact O-N 3.16Å; A890-E894 VanDerWaalsContact O-N 3.12Å |
| 891 | K | 85.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -81.6 | -34.3 | 178.9 | -65.9 | -50.6 | -168.4 | 167 | 0 | 114.9 | L845 F849 L867 F887 P888 I889 T893 E894 I895 | L845-K891 VanDerWaalsContact CD2-NZ 3.34Å; F849-K891 HydrophobicContact CD1-CB 4.37Å; F849-K891 HydrophobicContact CD1-CD 4.22Å; F849-K891 HydrophobicContact CD2-CD 3.72Å; F849-K891 HydrophobicContact CE1-CB 3.72Å; F849-K891 HydrophobicContact CE1-CD 3.95Å; F849-K891 HydrophobicContact CE1-CG 3.99Å; F849-K891 HydrophobicContact CE2-CD 3.46Å; F849-K891 VanDerWaalsContact CE2-CD 3.46Å; F849-K891 HydrophobicContact CE2-CG 4.01Å; F849-K891 HydrophobicContact CG-CD 4.11Å; F849-K891 HydrophobicContact CZ-CB 3.89Å; F849-K891 HydrophobicContact CZ-CD 3.58Å; F849-K891 HydrophobicContact CZ-CG 3.63Å; L867-K891 HydrophobicContact CD1-CB 4.24Å; L867-K891 HydrophobicContact CD2-CB 4.29Å; F887-K891 HydrophobicContact CD2-CG 4.02Å; F887-K891 HydrophobicContact CE2-CG 3.72Å; F887-K891 HydrophobicContact CZ-CG 3.99Å; F887-K891 WeakPolarHBondContact O-CG 3.45Å; F887-K891 PolarHBondContact O-N 3Å; F887-K891 VanDerWaalsContact O-N 3.1Å; P888-K891 PolarHBondContact O-N 3.06Å; I889-K891 PolarHBondContact O-N 3.38Å; K891-T893 PolarHBondContact O-N 2.84Å; K891-E894 VanDerWaalsContact CD-OE2 3.32Å; K891-E894 WeakPolarHBondContact CD-OE2 3.3Å; K891-E894 IonicContact NZ-OE2 3.85Å; K891-E894 PolarHBondContact NZ-OE2 3.44Å; K891-E894 PolarHBondContact O-N 3.02Å; K891-I895 WeakPolarHBondContact O-CG1 3.22Å; K891-I895 PolarHBondContact O-N 2.83Å |
| 892 | L | 85.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.2 | -40.1 | 167.3 | -79.2 | 168.6 | 0 | 0 | 0 | 111.1 | I864 L867 P888 I889 G896 I910 Q913 | I864-L892 HydrophobicContact CG2-CD2 4.28Å; L867-L892 HydrophobicContact CB-CD2 3.58Å; L867-L892 HydrophobicContact CB-CG 3.85Å; L867-L892 HydrophobicContact CD1-CD2 3.99Å; L867-L892 HydrophobicContact CD1-CG 4.12Å; L867-L892 HydrophobicContact CG-CD2 4.47Å; P888-L892 WeakPolarHBondContact O-CB 3.43Å; P888-L892 VanDerWaalsContact O-CG 3.25Å; P888-L892 WeakPolarHBondContact O-CG 3.41Å; P888-L892 PolarHBondContact O-N 3.2Å; I889-L892 PolarHBondContact O-N 3.26Å; L892-G896 PolarHBondContact O-N 2.87Å; L892-I910 HydrophobicContact CB-CG2 4.48Å; L892-I910 HydrophobicContact CD2-CD1 3.95Å; L892-I910 HydrophobicContact CD2-CG1 4.07Å; L892-Q913 HydrophobicContact CD1-CG 4.4Å |
| 893 | T | 82.7 | Confident | 82.8 | Confident | 11 Ų | 11 | 24.4 Ų | 24.4 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 176.1 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | I889 K891 I895 G896 L897 C932 L936 | I889-T893 PolarHBondContact O-N 3.22Å; I889-T893 PolarHBondContact O-OG1 3.18Å; K891-T893 PolarHBondContact O-N 2.84Å; T893-I895 VanDerWaalsContact C-N 3.34Å; T893-I895 PolarHBondContact O-N 3.28Å; T893-G896 PolarHBondContact O-N 3.45Å; T893-L897 HydrophobicContact CG2-CD1 4.01Å; T893-L897 HydrophobicContact CG2-CG 4.28Å; T893-L897 WeakPolarHBondContact O-CB 3.35Å; T893-L897 WeakPolarHBondContact O-CG 3.44Å; T893-L897 PolarHBondContact O-N 3Å; T893-C932 HydrophobicContact CG2-CB 4.03Å; T893-C932 WeakPolarHBondContact OG1-CB 3.37Å; T893-C932 PolarHBondContact OG1-SG 3.23Å; T893-L936 HydrophobicContact CG2-CD2 4.38Å; T893-L936 HydrophobicContact CG2-CG 4.29Å |
| 894 | E | 83.4 | Confident | 83 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.6 | -162.7 | 168 | -162.2 | 0 | 0 | 112.6 | P769 S770 F849 A890 K891 L897 V898 | P769-E894 HydrophobicContact CB-CG 4.46Å; S770-E894 PolarHBondContact N-OE1 3.47Å; F849-E894 HydrophobicContact CB-CB 4.32Å; F849-E894 HydrophobicContact CB-CG 3.78Å; F849-E894 HydrophobicContact CG-CG 4.47Å; A890-E894 PolarHBondContact O-N 3.16Å; A890-E894 VanDerWaalsContact O-N 3.12Å; K891-E894 VanDerWaalsContact CD-OE2 3.32Å; K891-E894 WeakPolarHBondContact CD-OE2 3.3Å; K891-E894 IonicContact NZ-OE2 3.85Å; K891-E894 PolarHBondContact NZ-OE2 3.44Å; K891-E894 PolarHBondContact O-N 3.02Å; E894-L897 PolarHBondContact O-N 3.3Å; E894-V898 WeakPolarHBondContact O-CB 3.48Å; E894-V898 VanDerWaalsContact O-CG2 3.28Å; E894-V898 WeakPolarHBondContact O-CG2 3.4Å; E894-V898 PolarHBondContact O-N 2.79Å; E894-V898 VanDerWaalsContact O-N 3.1Å |
| 895 | I | 85.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -48 | 173.6 | -65.2 | 171.6 | 0 | 0 | 0 | 111.3 | F849 L860 F863 I864 L867 K891 T893 L897 V898 N899 | F849-I895 HydrophobicContact CD1-CD1 4.06Å; F849-I895 HydrophobicContact CD1-CG1 3.64Å; F849-I895 HydrophobicContact CE1-CD1 4.19Å; F849-I895 HydrophobicContact CE1-CG1 4.25Å; L860-I895 HydrophobicContact CD1-CG2 3.91Å; F863-I895 HydrophobicContact CD1-CD1 3.53Å; F863-I895 HydrophobicContact CD1-CG1 4.31Å; F863-I895 HydrophobicContact CE1-CD1 3.28Å; F863-I895 HydrophobicContact CE1-CG1 3.8Å; F863-I895 HydrophobicContact CG-CD1 4.28Å; F863-I895 HydrophobicContact CZ-CD1 3.88Å; I864-I895 HydrophobicContact CD1-CG2 3.97Å; I864-I895 HydrophobicContact CG1-CD1 4.46Å; I864-I895 HydrophobicContact CG1-CG2 4.03Å; L867-I895 HydrophobicContact CD1-CD1 3.28Å; L867-I895 HydrophobicContact CD1-CG1 4.47Å; K891-I895 WeakPolarHBondContact O-CG1 3.22Å; K891-I895 PolarHBondContact O-N 2.83Å; T893-I895 VanDerWaalsContact C-N 3.34Å; T893-I895 PolarHBondContact O-N 3.28Å; I895-L897 VanDerWaalsContact C-N 3.27Å; I895-L897 PolarHBondContact O-N 2.95Å; I895-V898 PolarHBondContact O-N 3.38Å; I895-V898 VanDerWaalsContact O-N 3.08Å; I895-N899 WeakPolarHBondContact O-CB 3.41Å; I895-N899 PolarHBondContact O-N 2.89Å; I895-N899 PolarHBondContact O-ND2 3.02Å |
| 896 | G | 83.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L892 T893 V898 V900 W906 L936 | L892-G896 PolarHBondContact O-N 2.87Å; T893-G896 PolarHBondContact O-N 3.45Å; G896-V898 VanDerWaalsContact C-N 3.31Å; G896-V898 PolarHBondContact O-N 2.73Å; G896-V900 WeakPolarHBondContact O-CG2 3.37Å; G896-V900 PolarHBondContact O-N 3.24Å; G896-W906 VanDerWaalsContact CA-CH2 3.47Å; G896-W906 WeakPolarHBondContact O-CH2 3.3Å; G896-W906 VanDerWaalsContact O-CZ2 3.25Å; G896-W906 WeakPolarHBondContact O-CZ2 3.48Å; G896-L936 VanDerWaalsContact C-CD2 3.5Å |
| 897 | L | 81.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 19.8 Ų | 19.8 | 8% | 0.084 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.8 | -26.3 | 174.2 | -70.7 | 174 | 0 | 0 | 0 | 113.8 | A771 L773 T893 E894 I895 V900 L936 Q939 | A771-L897 HydrophobicContact CB-CB 3.98Å; L773-L897 HydrophobicContact CD2-CD1 3.98Å; L773-L897 HydrophobicContact CD2-CD2 3.79Å; L773-L897 HydrophobicContact CD2-CG 4.44Å; T893-L897 HydrophobicContact CG2-CD1 4.01Å; T893-L897 HydrophobicContact CG2-CG 4.28Å; T893-L897 WeakPolarHBondContact O-CB 3.35Å; T893-L897 WeakPolarHBondContact O-CG 3.44Å; T893-L897 PolarHBondContact O-N 3Å; E894-L897 PolarHBondContact O-N 3.3Å; I895-L897 VanDerWaalsContact C-N 3.27Å; I895-L897 PolarHBondContact O-N 2.95Å; L897-V900 WeakPolarHBondContact O-CG2 3.29Å; L897-L936 HydrophobicContact CD2-CD2 4.23Å; L897-L936 HydrophobicContact CG-CD2 4.06Å; L897-Q939 HydrophobicContact CD2-CB 4.13Å; L897-Q939 HydrophobicContact CD2-CG 3.47Å; L897-Q939 VanDerWaalsContact CD2-CG 3.47Å |
| 898 | V | 82.4 | Confident | 83.3 | Confident | 25 Ų | 25 | 25.4 Ų | 25.4 | 15% | 0.152 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -90.6 | -30.9 | 178.6 | 168 | 0 | 0 | 0 | 0 | 112 | A771 F849 I850 E894 I895 G896 | A771-V898 HydrophobicContact CB-CG2 3.91Å; F849-V898 WeakPolarHBondContact O-CG1 3.5Å; I850-V898 VanDerWaalsContact O-CG1 3.25Å; I850-V898 WeakPolarHBondContact O-CG1 3.29Å; E894-V898 WeakPolarHBondContact O-CB 3.48Å; E894-V898 VanDerWaalsContact O-CG2 3.28Å; E894-V898 WeakPolarHBondContact O-CG2 3.4Å; E894-V898 PolarHBondContact O-N 2.79Å; E894-V898 VanDerWaalsContact O-N 3.1Å; I895-V898 PolarHBondContact O-N 3.38Å; I895-V898 VanDerWaalsContact O-N 3.08Å; G896-V898 VanDerWaalsContact C-N 3.31Å; G896-V898 PolarHBondContact O-N 2.73Å |
| 899 | N | 85 | Confident | 83.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -100 | 22.1 | -177.7 | -80.3 | -80.5 | 0 | 0 | 0 | 114.7 | S852 L860 I895 H901 R902 W906 | S852-N899 VanDerWaalsContact C-ND2 3.28Å; S852-N899 PolarHBondContact O-ND2 2.94Å; S852-N899 PolarHBondContact O-OD1 3.06Å; S852-N899 PolarHBondContact OG-ND2 3.27Å; L860-N899 HydrophobicContact CD2-CB 4.3Å; I895-N899 WeakPolarHBondContact O-CB 3.41Å; I895-N899 PolarHBondContact O-N 2.89Å; I895-N899 PolarHBondContact O-ND2 3.02Å; N899-H901 PolarHBondContact O-N 3.47Å; N899-H901 VanDerWaalsContact O-N 3.15Å; N899-R902 CarbonylContact O-C 3.54Å; N899-R902 PolarHBondContact O-N 3.26Å; N899-R902 PolarHBondContact OD1-NH2 3.47Å; N899-W906 PolarHBondContact O-NE1 3.1Å | ||
| 900 | V | 81.7 | Confident | 83.4 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -58.7 | -29.4 | -178 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | G896 L897 R902 Q939 A943 | G896-V900 WeakPolarHBondContact O-CG2 3.37Å; G896-V900 PolarHBondContact O-N 3.24Å; L897-V900 WeakPolarHBondContact O-CG2 3.29Å; V900-R902 PolarHBondContact O-N 3.2Å; V900-Q939 HydrophobicContact CG2-CB 4.32Å; V900-A943 HydrophobicContact CB-CB 4.25Å; V900-A943 HydrophobicContact CG1-CB 3.44Å; V900-A943 VanDerWaalsContact CG1-CB 3.44Å |
| 901 | H | 77.4 | Confident | 83.5 | Confident | 103 Ų | 103 | 27.8 Ų | 27.8 | 48% | 0.477 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -65.3 | -14.6 | 175.3 | 64.9 | -49.9 | 0 | 0 | 0 | 114.5 | S853 N899 | S853-H901 PolarHBondContact O-NE2 3.34Å; N899-H901 PolarHBondContact O-N 3.47Å; N899-H901 VanDerWaalsContact O-N 3.15Å |
| 902 | R | 83.1 | Confident | 83.6 | Confident | 61 Ų | 61 | 32.2 Ų | 32.2 | 23% | 0.23 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -129.1 | 39.4 | -178 | -60.5 | -178.2 | -63.5 | -172 | 10.2 | 111.9 | S852 S853 L855 N899 V900 D904 L905 W906 | S852-R902 PolarHBondContact O-NH2 3.11Å; S853-R902 VanDerWaalsContact O-CZ 3.29Å; S853-R902 PolarHBondContact O-NH1 3.31Å; S853-R902 PolarHBondContact O-NH2 3.16Å; L855-R902 PolarHBondContact O-NH1 2.92Å; L855-R902 PolarHBondContact O-NH2 3.29Å; N899-R902 CarbonylContact O-C 3.54Å; N899-R902 PolarHBondContact O-N 3.26Å; N899-R902 PolarHBondContact OD1-NH2 3.47Å; V900-R902 PolarHBondContact O-N 3.2Å; R902-D904 VanDerWaalsContact C-N 3.3Å; R902-D904 PolarHBondContact O-N 3.48Å; R902-L905 HydrophobicContact CB-CD1 3.95Å; R902-L905 HydrophobicContact CB-CG 4.5Å; R902-L905 PolarHBondContact O-N 2.89Å; R902-W906 VanDerWaalsContact O-CD1 3.24Å; R902-W906 PolarHBondContact O-NE1 3.38Å |
| 903 | L | 79.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -50.7 | -42.6 | -171 | -175.2 | 145.1 | 0 | 0 | 0 | 114.2 | L905 W906 W907 A940 L955 V959 | L903-L905 PolarHBondContact O-N 3.14Å; L903-L905 VanDerWaalsContact O-N 3.11Å; L903-W906 PolarHBondContact O-N 3.21Å; L903-W907 HydrophobicContact CD1-CD2 4.26Å; L903-W907 HydrophobicContact CD1-CE3 3.66Å; L903-W907 HydrophobicContact CD1-CZ3 4.05Å; L903-W907 HydrophobicContact CD2-CB 3.64Å; L903-W907 HydrophobicContact CD2-CD2 4.08Å; L903-W907 HydrophobicContact CD2-CE3 4.22Å; L903-W907 HydrophobicContact CD2-CG 3.82Å; L903-W907 HydrophobicContact CG-CB 3.99Å; L903-W907 HydrophobicContact CG-CD2 4.17Å; L903-W907 HydrophobicContact CG-CE3 3.8Å; L903-W907 HydrophobicContact CG-CG 4.27Å; L903-W907 VanDerWaalsContact O-CB 3.26Å; L903-W907 WeakPolarHBondContact O-CB 3.24Å; L903-W907 PolarHBondContact O-N 3.41Å; L903-A940 HydrophobicContact CD1-CB 3.36Å; L903-L955 HydrophobicContact CD2-CG 4.49Å; L903-V959 HydrophobicContact CD1-CG2 3.81Å; L903-V959 HydrophobicContact CD2-CG2 3.67Å; L903-V959 HydrophobicContact CG-CG2 4.41Å |
| 904 | D | 78.4 | Confident | 83.9 | Confident | 99 Ų | 99 | 33 Ų | 33 | 53% | 0.529 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -59.5 | -27.7 | -172.6 | -64.3 | -46.4 | 0 | 0 | 0 | 114.3 | R902 | R902-D904 VanDerWaalsContact C-N 3.3Å; R902-D904 PolarHBondContact O-N 3.48Å |
| 905 | L | 80.8 | Confident | 84 | Confident | 52 Ų | 52 | 34.3 Ų | 34.3 | 27% | 0.272 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.4 | -42.2 | -178.5 | -57 | 179 | 0 | 0 | 0 | 112 | V857 H861 R902 L903 | V857-L905 HydrophobicContact CB-CD1 4.34Å; V857-L905 HydrophobicContact CG1-CD1 4.04Å; V857-L905 HydrophobicContact CG1-CD2 3.86Å; V857-L905 HydrophobicContact CG1-CG 4.5Å; V857-L905 HydrophobicContact CG2-CD1 3.85Å; H861-L905 PolarHBondContact NE2-O 3.11Å; H861-L905 VanDerWaalsContact NE2-O 3.1Å; R902-L905 HydrophobicContact CB-CD1 3.95Å; R902-L905 HydrophobicContact CB-CG 4.5Å; R902-L905 PolarHBondContact O-N 2.89Å; L903-L905 PolarHBondContact O-N 3.14Å; L903-L905 VanDerWaalsContact O-N 3.11Å |
| 906 | W | 84.5 | Confident | 84.1 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 2% | 0.023 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -115.1 | -20.2 | -165.8 | 56.4 | -96.7 | 0 | 0 | 0 | 114.6 | I864 G896 N899 R902 L903 K908 V909 I910 L936 | I864-W906 HydrophobicContact CD1-CB 3.4Å; I864-W906 VanDerWaalsContact CD1-CB 3.4Å; I864-W906 HydrophobicContact CD1-CG 4.12Å; G896-W906 VanDerWaalsContact CA-CH2 3.47Å; G896-W906 WeakPolarHBondContact O-CH2 3.3Å; G896-W906 VanDerWaalsContact O-CZ2 3.25Å; G896-W906 WeakPolarHBondContact O-CZ2 3.48Å; N899-W906 PolarHBondContact O-NE1 3.1Å; R902-W906 VanDerWaalsContact O-CD1 3.24Å; R902-W906 PolarHBondContact O-NE1 3.38Å; L903-W906 PolarHBondContact O-N 3.21Å; W906-K908 PolarHBondContact O-N 3.25Å; W906-V909 PolarHBondContact O-N 2.9Å; W906-V909 VanDerWaalsContact O-N 3.09Å; W906-I910 HydrophobicContact CD2-CD1 4.37Å; W906-I910 HydrophobicContact CE3-CB 4.04Å; W906-I910 HydrophobicContact CE3-CD1 3.68Å; W906-I910 HydrophobicContact CE3-CG1 3.98Å; W906-I910 HydrophobicContact CZ3-CB 4.4Å; W906-I910 HydrophobicContact CZ3-CD1 4.27Å; W906-I910 PolarHBondContact O-N 3.07Å; W906-L936 HydrophobicContact CH2-CD2 4.33Å |
| 907 | W | 87.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.8 | -53.8 | -167.9 | -176 | -95.1 | 0 | 0 | 0 | 113.1 | L903 V909 I910 S911 L936 I937 A940 Q958 V959 P962 | L903-W907 HydrophobicContact CD1-CD2 4.26Å; L903-W907 HydrophobicContact CD1-CE3 3.66Å; L903-W907 HydrophobicContact CD1-CZ3 4.05Å; L903-W907 HydrophobicContact CD2-CB 3.64Å; L903-W907 HydrophobicContact CD2-CD2 4.08Å; L903-W907 HydrophobicContact CD2-CE3 4.22Å; L903-W907 HydrophobicContact CD2-CG 3.82Å; L903-W907 HydrophobicContact CG-CB 3.99Å; L903-W907 HydrophobicContact CG-CD2 4.17Å; L903-W907 HydrophobicContact CG-CE3 3.8Å; L903-W907 HydrophobicContact CG-CG 4.27Å; L903-W907 VanDerWaalsContact O-CB 3.26Å; L903-W907 WeakPolarHBondContact O-CB 3.24Å; L903-W907 PolarHBondContact O-N 3.41Å; W907-V909 PolarHBondContact O-N 2.74Å; W907-I910 PolarHBondContact O-N 2.9Å; W907-S911 VanDerWaalsContact O-CB 3.25Å; W907-S911 WeakPolarHBondContact O-CB 3.45Å; W907-S911 PolarHBondContact O-N 2.69Å; W907-S911 PolarHBondContact O-OG 2.87Å; W907-L936 HydrophobicContact CH2-CB 4.27Å; W907-L936 HydrophobicContact CZ3-CB 4.09Å; W907-I937 HydrophobicContact CH2-CB 4.39Å; W907-I937 HydrophobicContact CH2-CG1 3.66Å; W907-I937 HydrophobicContact CZ2-CG1 3.84Å; W907-A940 HydrophobicContact CH2-CB 4.15Å; W907-A940 HydrophobicContact CZ3-CB 3.87Å; W907-Q958 HydrophobicContact CG-CG 4.41Å; W907-Q958 PolarHBondContact NE1-O 3Å; W907-V959 HydrophobicContact CD2-CG2 4.22Å; W907-V959 HydrophobicContact CH2-CG1 4.07Å; W907-V959 HydrophobicContact CZ2-CB 4.17Å; W907-V959 HydrophobicContact CZ2-CG1 3.85Å; W907-V959 HydrophobicContact CZ2-CG2 4.23Å; W907-V959 WeakPolarHBondContact CZ2-O 3.41Å; W907-P962 HydrophobicContact CZ2-CG 4.36Å |
| 908 | K | 85.8 | Confident | 84.3 | Confident | 126 Ų | 126 | 37.6 Ų | 37.6 | 55% | 0.548 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.8 | -35.8 | -179 | -73.8 | 169.9 | 167.7 | 140.2 | 0 | 112.9 | W906 S911 N912 Q958 | W906-K908 PolarHBondContact O-N 3.25Å; K908-S911 PolarHBondContact O-OG 3.26Å; K908-N912 VanDerWaalsContact O-CB 3.27Å; K908-N912 WeakPolarHBondContact O-CB 3.5Å; K908-N912 PolarHBondContact O-N 3.38Å; K908-N912 PolarHBondContact O-ND2 3.2Å; K908-N912 VanDerWaalsContact O-ND2 3.15Å; K908-Q958 HydrophobicContact CG-CG 4.35Å |
| 909 | V | 86.4 | Confident | 84.5 | Confident | 66 Ų | 66 | 40.8 Ų | 40.8 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -74.5 | -50 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | I864 W906 W907 Q913 | I864-V909 HydrophobicContact CG2-CG1 4.08Å; W906-V909 PolarHBondContact O-N 2.9Å; W906-V909 VanDerWaalsContact O-N 3.09Å; W907-V909 PolarHBondContact O-N 2.74Å; V909-Q913 PolarHBondContact O-N 3.26Å |
| 910 | I | 87 | Confident | 84.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.2 | -43.1 | -179.5 | -61.9 | -163.1 | 0 | 0 | 0 | 111.2 | I864 L892 W906 W907 N912 Q913 L914 L936 | I864-I910 HydrophobicContact CD1-CD1 4.05Å; I864-I910 HydrophobicContact CG1-CD1 4.29Å; I864-I910 HydrophobicContact CG2-CD1 3.96Å; I864-I910 HydrophobicContact CG2-CG1 3.63Å; L892-I910 HydrophobicContact CB-CG2 4.48Å; L892-I910 HydrophobicContact CD2-CD1 3.95Å; L892-I910 HydrophobicContact CD2-CG1 4.07Å; W906-I910 HydrophobicContact CD2-CD1 4.37Å; W906-I910 HydrophobicContact CE3-CB 4.04Å; W906-I910 HydrophobicContact CE3-CD1 3.68Å; W906-I910 HydrophobicContact CE3-CG1 3.98Å; W906-I910 HydrophobicContact CZ3-CB 4.4Å; W906-I910 HydrophobicContact CZ3-CD1 4.27Å; W906-I910 PolarHBondContact O-N 3.07Å; W907-I910 PolarHBondContact O-N 2.9Å; I910-N912 PolarHBondContact O-N 3.11Å; I910-Q913 PolarHBondContact O-N 3.14Å; I910-L914 HydrophobicContact CG2-CD1 3.79Å; I910-L914 HydrophobicContact CG2-CG 4.18Å; I910-L914 WeakPolarHBondContact O-CB 3.25Å; I910-L914 WeakPolarHBondContact O-CG 3.05Å; I910-L914 PolarHBondContact O-N 3.11Å; I910-L936 HydrophobicContact CG2-CD1 3.91Å |
| 911 | S | 87.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | W907 K908 Q913 L914 L915 | W907-S911 VanDerWaalsContact O-CB 3.25Å; W907-S911 WeakPolarHBondContact O-CB 3.45Å; W907-S911 PolarHBondContact O-N 2.69Å; W907-S911 PolarHBondContact O-OG 2.87Å; K908-S911 PolarHBondContact O-OG 3.26Å; S911-Q913 VanDerWaalsContact C-N 3.34Å; S911-Q913 PolarHBondContact O-N 3.46Å; S911-L914 PolarHBondContact O-N 3.29Å; S911-L915 WeakPolarHBondContact O-CB 3.23Å; S911-L915 VanDerWaalsContact O-CG 3.25Å; S911-L915 WeakPolarHBondContact O-CG 3.12Å; S911-L915 PolarHBondContact O-N 2.93Å |
| 912 | N | 86.5 | Confident | 84.7 | Confident | 95 Ų | 95 | 44.9 Ų | 44.9 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.6 | -37.2 | -179.8 | -69.2 | -7.1 | 0 | 0 | 0 | 111.7 | K908 I910 T916 | K908-N912 VanDerWaalsContact O-CB 3.27Å; K908-N912 WeakPolarHBondContact O-CB 3.5Å; K908-N912 PolarHBondContact O-N 3.38Å; K908-N912 PolarHBondContact O-ND2 3.2Å; K908-N912 VanDerWaalsContact O-ND2 3.15Å; I910-N912 PolarHBondContact O-N 3.11Å; N912-T916 WeakPolarHBondContact O-CB 3.4Å; N912-T916 PolarHBondContact O-N 3.44Å; N912-T916 VanDerWaalsContact O-N 3.07Å; N912-T916 PolarHBondContact O-OG1 2.97Å |
| 913 | Q | 87.2 | Confident | 84.7 | Confident | 26 Ų | 26 | 44 Ų | 44 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 173.6 | -169.8 | 65.6 | 19.5 | 0 | 0 | 111.4 | C868 S871 S872 L892 V909 I910 S911 L915 T916 V917 | C868-Q913 HydrophobicContact CB-CG 4.34Å; C868-Q913 PolarHBondContact O-NE2 3.14Å; S871-Q913 PolarHBondContact OG-NE2 3.3Å; S872-Q913 PolarHBondContact OG-NE2 3.22Å; S872-Q913 VanDerWaalsContact OG-NE2 3.11Å; L892-Q913 HydrophobicContact CD1-CG 4.4Å; V909-Q913 PolarHBondContact O-N 3.26Å; I910-Q913 PolarHBondContact O-N 3.14Å; S911-Q913 VanDerWaalsContact C-N 3.34Å; S911-Q913 PolarHBondContact O-N 3.46Å; Q913-L915 PolarHBondContact O-N 2.94Å; Q913-T916 WeakPolarHBondContact O-CB 3.47Å; Q913-T916 PolarHBondContact O-N 3.05Å; Q913-V917 WeakPolarHBondContact O-CG2 3.37Å; Q913-V917 PolarHBondContact O-N 3.41Å |
| 914 | L | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 179.3 | -70.6 | 177.1 | 0 | 0 | 0 | 112.4 | I889 I910 S911 T916 V917 C918 L933 L936 | I889-L914 HydrophobicContact CG2-CD2 3.81Å; I910-L914 HydrophobicContact CG2-CD1 3.79Å; I910-L914 HydrophobicContact CG2-CG 4.18Å; I910-L914 WeakPolarHBondContact O-CB 3.25Å; I910-L914 WeakPolarHBondContact O-CG 3.05Å; I910-L914 PolarHBondContact O-N 3.11Å; S911-L914 PolarHBondContact O-N 3.29Å; L914-T916 VanDerWaalsContact C-N 3.32Å; L914-T916 PolarHBondContact O-N 2.86Å; L914-V917 PolarHBondContact O-N 3.02Å; L914-C918 PolarHBondContact O-N 3.41Å; L914-C918 PolarHBondContact O-SG 3.15Å; L914-L933 HydrophobicContact CB-CB 4.31Å; L914-L933 HydrophobicContact CB-CD1 4.34Å; L914-L933 HydrophobicContact CD1-CB 4.07Å; L914-L933 HydrophobicContact CD1-CD1 4.13Å; L914-L936 HydrophobicContact CD1-CD1 3.77Å |
| 915 | L | 85.9 | Confident | 85.1 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 173 | -73.6 | 170.7 | 0 | 0 | 0 | 112.1 | S911 Q913 V917 C918 N919 L933 P962 A965 L966 | S911-L915 WeakPolarHBondContact O-CB 3.23Å; S911-L915 VanDerWaalsContact O-CG 3.25Å; S911-L915 WeakPolarHBondContact O-CG 3.12Å; S911-L915 PolarHBondContact O-N 2.93Å; Q913-L915 PolarHBondContact O-N 2.94Å; L915-V917 VanDerWaalsContact C-N 3.29Å; L915-V917 PolarHBondContact O-N 3.08Å; L915-C918 PolarHBondContact O-N 3.14Å; L915-N919 PolarHBondContact O-N 2.93Å; L915-L933 HydrophobicContact CD2-CD2 3.82Å; L915-L933 HydrophobicContact CG-CD2 4.21Å; L915-P962 HydrophobicContact CD1-CB 4.05Å; L915-P962 HydrophobicContact CD2-CB 4.34Å; L915-P962 HydrophobicContact CG-CB 4.33Å; L915-A965 HydrophobicContact CD1-CB 3.98Å; L915-A965 HydrophobicContact CD2-CB 3.93Å; L915-L966 HydrophobicContact CD2-CD2 3.68Å; L915-L966 HydrophobicContact CD2-CG 4.07Å |
| 916 | T | 85.9 | Confident | 85.4 | Confident | 84 Ų | 84 | 40.6 Ų | 40.6 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -38.3 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | L875 N912 Q913 L914 | L875-T916 HydrophobicContact CD1-CG2 3.97Å; N912-T916 WeakPolarHBondContact O-CB 3.4Å; N912-T916 PolarHBondContact O-N 3.44Å; N912-T916 VanDerWaalsContact O-N 3.07Å; N912-T916 PolarHBondContact O-OG1 2.97Å; Q913-T916 WeakPolarHBondContact O-CB 3.47Å; Q913-T916 PolarHBondContact O-N 3.05Å; L914-T916 VanDerWaalsContact C-N 3.32Å; L914-T916 PolarHBondContact O-N 2.86Å |
| 917 | V | 85.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.4 | -34 | 175 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | L875 I889 Q913 L914 L915 N919 C920 L925 | L875-V917 HydrophobicContact CD1-CG2 3.83Å; L875-V917 HydrophobicContact CD2-CB 4.45Å; L875-V917 HydrophobicContact CD2-CG1 4.28Å; L875-V917 HydrophobicContact CD2-CG2 4.14Å; L875-V917 HydrophobicContact CG-CG2 4.1Å; I889-V917 HydrophobicContact CD1-CB 4.41Å; I889-V917 HydrophobicContact CD1-CG1 3.64Å; I889-V917 HydrophobicContact CD1-CG2 4.32Å; Q913-V917 WeakPolarHBondContact O-CG2 3.37Å; Q913-V917 PolarHBondContact O-N 3.41Å; L914-V917 PolarHBondContact O-N 3.02Å; L915-V917 VanDerWaalsContact C-N 3.29Å; L915-V917 PolarHBondContact O-N 3.08Å; V917-N919 PolarHBondContact O-N 3.48Å; V917-C920 WeakPolarHBondContact O-CB 3.49Å; V917-C920 PolarHBondContact O-N 3.17Å; V917-C920 PolarHBondContact O-SG 3.47Å; V917-L925 HydrophobicContact CG1-CD2 3.79Å; V917-L925 HydrophobicContact CG1-CG 3.85Å |
| 918 | C | 84.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -18.7 | 176.5 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | L914 L915 R926 S929 L966 I970 | L914-C918 PolarHBondContact O-N 3.41Å; L914-C918 PolarHBondContact O-SG 3.15Å; L915-C918 PolarHBondContact O-N 3.14Å; C918-R926 WeakPolarHBondContact O-CD 3.35Å; C918-R926 VanDerWaalsContact O-CG 3.31Å; C918-R926 WeakPolarHBondContact O-CG 3.41Å; C918-S929 WeakPolarHBondContact CA-OG 3.43Å; C918-S929 PolarHBondContact N-OG 3.2Å; C918-S929 PolarHBondContact SG-OG 3.04Å; C918-L966 HydrophobicContact CB-CD2 4.13Å; C918-I970 HydrophobicContact CB-CD1 3.43Å; C918-I970 VanDerWaalsContact CB-CD1 3.43Å |
| 919 | N | 85.9 | Confident | 85.4 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 9.8 | 174.4 | -160.3 | 28 | 0 | 0 | 0 | 114 | L915 V917 | L915-N919 PolarHBondContact O-N 2.93Å; V917-N919 PolarHBondContact O-N 3.48Å |
| 920 | C | 85.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | trans | -77.9 | 148.7 | 178.3 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | L875 V917 Y922 R926 | L875-C920 HydrophobicContact CD2-CB 3.93Å; V917-C920 WeakPolarHBondContact O-CB 3.49Å; V917-C920 PolarHBondContact O-N 3.17Å; V917-C920 PolarHBondContact O-SG 3.47Å; C920-Y922 VanDerWaalsContact C-N 3.34Å; C920-Y922 PolarHBondContact O-N 3.41Å; C920-Y922 PolarHBondContact SG-O 3.46Å; C920-Y922 VanDerWaalsContact SG-O 3.32Å; C920-R926 PolarHBondContact O-NH1 3.07Å | ||
| 921 | T | 79.3 | Confident | 85.3 | Confident | 105 Ų | 105 | 40 Ų | 40 | 64% | 0.644 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -65 | -37 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | A923 R926 | T921-A923 PolarHBondContact O-N 3.16Å; T921-R926 PolarHBondContact O-NH1 3.11Å; T921-R926 VanDerWaalsContact O-NH1 3.07Å |
| 922 | Y | 83.9 | Confident | 85.3 | Confident | 78 Ų | 78 | 40.3 Ų | 40.3 | 31% | 0.306 | 23% | 0.225 | S | C | . | . | trans | -73.8 | 112.2 | -173.5 | -174.9 | -100.9 | 0 | 0 | 0 | 112.1 | P884 C920 T924 L925 R926 | P884-Y922 HydrophobicContact CG-CD1 3.53Å; P884-Y922 HydrophobicContact CG-CE1 3.54Å; P884-Y922 HydrophobicContact CG-CG 4.2Å; C920-Y922 VanDerWaalsContact C-N 3.34Å; C920-Y922 PolarHBondContact O-N 3.41Å; C920-Y922 PolarHBondContact SG-O 3.46Å; C920-Y922 VanDerWaalsContact SG-O 3.32Å; Y922-T924 WeakPolarHBondContact CE1-OG1 3.31Å; Y922-T924 PolarHBondContact O-N 3.43Å; Y922-L925 HydrophobicContact CD1-CB 3.67Å; Y922-L925 HydrophobicContact CE1-CB 4.26Å; Y922-L925 PolarHBondContact O-N 3.1Å; Y922-R926 PolarHBondContact O-N 2.92Å; Y922-R926 VanDerWaalsContact O-N 3.17Å | ||
| 923 | A | 84.2 | Confident | 85.4 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T921 R926 Q927 | T921-A923 PolarHBondContact O-N 3.16Å; A923-R926 PolarHBondContact O-N 3.14Å; A923-Q927 WeakPolarHBondContact O-CB 3.43Å; A923-Q927 VanDerWaalsContact O-CG 3.31Å; A923-Q927 WeakPolarHBondContact O-CG 3.47Å; A923-Q927 PolarHBondContact O-N 3.5Å |
| 924 | T | 81.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 39% | 0.387 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.8 | -37.3 | -175.7 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | Y922 L928 | Y922-T924 WeakPolarHBondContact CE1-OG1 3.31Å; Y922-T924 PolarHBondContact O-N 3.43Å; T924-L928 VanDerWaalsContact O-CB 3.32Å; T924-L928 WeakPolarHBondContact O-CB 3.49Å; T924-L928 PolarHBondContact O-N 3.37Å |
| 925 | L | 83.9 | Confident | 85.1 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.6 | -38.6 | 174.5 | -163.5 | 80.9 | 0 | 0 | 0 | 111.2 | L875 V878 P884 Q886 I889 V917 Y922 S929 | L875-L925 HydrophobicContact CD2-CD2 4.48Å; V878-L925 HydrophobicContact CG2-CD2 4.37Å; P884-L925 HydrophobicContact CB-CD1 4.42Å; P884-L925 HydrophobicContact CB-CD2 4.07Å; P884-L925 HydrophobicContact CG-CD1 4.45Å; P884-L925 HydrophobicContact CG-CD2 4.13Å; Q886-L925 HydrophobicContact CG-CD1 4.15Å; I889-L925 HydrophobicContact CD1-CD1 3.37Å; I889-L925 HydrophobicContact CD1-CD2 4.25Å; I889-L925 HydrophobicContact CD1-CG 3.53Å; I889-L925 HydrophobicContact CG1-CD1 4.46Å; V917-L925 HydrophobicContact CG1-CD2 3.79Å; V917-L925 HydrophobicContact CG1-CG 3.85Å; Y922-L925 HydrophobicContact CD1-CB 3.67Å; Y922-L925 HydrophobicContact CE1-CB 4.26Å; Y922-L925 PolarHBondContact O-N 3.1Å; L925-S929 WeakPolarHBondContact O-CB 3.35Å; L925-S929 PolarHBondContact O-N 3.34Å; L925-S929 PolarHBondContact O-OG 3.5Å |
| 926 | R | 88.4 | Confident | 85.1 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -52.4 | 173.3 | -179.1 | 172.1 | 68.4 | -109 | -6.6 | 111.9 | C918 C920 T921 Y922 A923 L928 S929 S930 D974 V975 | C918-R926 WeakPolarHBondContact O-CD 3.35Å; C918-R926 VanDerWaalsContact O-CG 3.31Å; C918-R926 WeakPolarHBondContact O-CG 3.41Å; C920-R926 PolarHBondContact O-NH1 3.07Å; T921-R926 PolarHBondContact O-NH1 3.11Å; T921-R926 VanDerWaalsContact O-NH1 3.07Å; Y922-R926 PolarHBondContact O-N 2.92Å; Y922-R926 VanDerWaalsContact O-N 3.17Å; A923-R926 PolarHBondContact O-N 3.14Å; R926-L928 VanDerWaalsContact C-N 3.33Å; R926-L928 PolarHBondContact O-N 3.38Å; R926-S929 WeakPolarHBondContact CA-OG 3.25Å; R926-S929 PolarHBondContact O-N 3.14Å; R926-S929 VanDerWaalsContact O-N 3.13Å; R926-S929 PolarHBondContact O-OG 3.03Å; R926-S930 PolarHBondContact O-N 3.23Å; R926-S930 PolarHBondContact O-OG 3.05Å; R926-D974 IonicContact CZ-OD1 3.92Å; R926-D974 IonicContact CZ-OD2 2.82Å; R926-D974 IonicContact NE-OD1 2.61Å; R926-D974 PolarHBondContact NE-OD1 3.49Å; R926-D974 IonicContact NE-OD2 2.75Å; R926-D974 PolarHBondContact NE-OD2 3.02Å; R926-D974 IonicContact NH2-OD1 3.74Å; R926-D974 IonicContact NH2-OD2 3.39Å; R926-D974 PolarHBondContact NH2-OD2 3.35Å; R926-V975 HydrophobicContact CG-CG2 3.47Å; R926-V975 VanDerWaalsContact CG-CG2 3.47Å |
| 927 | Q | 86.8 | Confident | 85.1 | Confident | 93 Ų | 93 | 30.3 Ų | 30.3 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 178.7 | -72.9 | 172.6 | 3.5 | 0 | 0 | 112.6 | A923 S930 S931 D974 | A923-Q927 WeakPolarHBondContact O-CB 3.43Å; A923-Q927 VanDerWaalsContact O-CG 3.31Å; A923-Q927 WeakPolarHBondContact O-CG 3.47Å; A923-Q927 PolarHBondContact O-N 3.5Å; Q927-S930 PolarHBondContact O-OG 2.86Å; Q927-S930 VanDerWaalsContact O-OG 3.11Å; Q927-S931 WeakPolarHBondContact O-CB 3.47Å; Q927-S931 PolarHBondContact O-N 3.32Å; Q927-S931 VanDerWaalsContact O-N 3.09Å; Q927-D974 HydrophobicContact CG-CB 3.92Å; Q927-D974 WeakPolarHBondContact CG-OD2 3.4Å; Q927-D974 PolarHBondContact NE2-OD2 3.06Å |
| 928 | L | 83.9 | Confident | 85.1 | Confident | 47 Ų | 47 | 31.7 Ų | 31.7 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -51.6 | 171.9 | -177.2 | 62.7 | 0 | 0 | 0 | 110.1 | Q886 I889 T924 R926 S930 S931 C932 | Q886-L928 HydrophobicContact CB-CD2 3.82Å; Q886-L928 HydrophobicContact CG-CD2 4.2Å; I889-L928 HydrophobicContact CB-CD2 4.16Å; I889-L928 HydrophobicContact CG2-CD2 4.21Å; I889-L928 HydrophobicContact CG2-CG 4.01Å; T924-L928 VanDerWaalsContact O-CB 3.32Å; T924-L928 WeakPolarHBondContact O-CB 3.49Å; T924-L928 PolarHBondContact O-N 3.37Å; R926-L928 VanDerWaalsContact C-N 3.33Å; R926-L928 PolarHBondContact O-N 3.38Å; L928-S930 PolarHBondContact O-N 3.29Å; L928-S931 PolarHBondContact O-N 3.31Å; L928-C932 WeakPolarHBondContact O-CB 3.39Å; L928-C932 PolarHBondContact O-N 3.01Å; L928-C932 PolarHBondContact O-SG 2.96Å |
| 929 | S | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | -179.1 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | C918 L925 R926 L933 | C918-S929 WeakPolarHBondContact CA-OG 3.43Å; C918-S929 PolarHBondContact N-OG 3.2Å; C918-S929 PolarHBondContact SG-OG 3.04Å; L925-S929 WeakPolarHBondContact O-CB 3.35Å; L925-S929 PolarHBondContact O-N 3.34Å; L925-S929 PolarHBondContact O-OG 3.5Å; R926-S929 WeakPolarHBondContact CA-OG 3.25Å; R926-S929 PolarHBondContact O-N 3.14Å; R926-S929 VanDerWaalsContact O-N 3.13Å; R926-S929 PolarHBondContact O-OG 3.03Å; S929-L933 VanDerWaalsContact O-CB 3.3Å; S929-L933 WeakPolarHBondContact O-CB 3.37Å; S929-L933 PolarHBondContact O-N 3.39Å |
| 930 | S | 86 | Confident | 84.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.2 | -43.2 | 176.9 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | R926 Q927 L928 C932 L933 T934 | R926-S930 PolarHBondContact O-N 3.23Å; R926-S930 PolarHBondContact O-OG 3.05Å; Q927-S930 PolarHBondContact O-OG 2.86Å; Q927-S930 VanDerWaalsContact O-OG 3.11Å; L928-S930 PolarHBondContact O-N 3.29Å; S930-C932 VanDerWaalsContact C-N 3.34Å; S930-C932 PolarHBondContact O-N 3.46Å; S930-L933 PolarHBondContact O-N 3.14Å; S930-T934 VanDerWaalsContact O-CG2 3.28Å; S930-T934 WeakPolarHBondContact O-CG2 3.43Å; S930-T934 PolarHBondContact O-N 3.48Å; S930-T934 PolarHBondContact O-OG1 3.18Å; S930-T934 VanDerWaalsContact O-OG1 3.07Å |
| 931 | S | 85.4 | Confident | 84.4 | Confident | 50 Ų | 50 | 27.3 Ų | 27.3 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 175.6 | -157.5 | 0 | 0 | 0 | 0 | 111.7 | Q927 L928 T934 S935 E978 | Q927-S931 WeakPolarHBondContact O-CB 3.47Å; Q927-S931 PolarHBondContact O-N 3.32Å; Q927-S931 VanDerWaalsContact O-N 3.09Å; L928-S931 PolarHBondContact O-N 3.31Å; S931-T934 PolarHBondContact O-OG1 3.12Å; S931-T934 VanDerWaalsContact O-OG1 3.11Å; S931-S935 VanDerWaalsContact O-CB 3.23Å; S931-S935 WeakPolarHBondContact O-CB 3.38Å; S931-S935 PolarHBondContact O-N 3.44Å; S931-E978 WeakPolarHBondContact CB-OE2 3.38Å; S931-E978 PolarHBondContact OG-OE2 3.09Å |
| 932 | C | 86.4 | Confident | 84.4 | Confident | 12 Ų | 12 | 23.5 Ų | 23.5 | 8% | 0.081 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -52.3 | 172.6 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | I889 T893 L928 S930 T934 S935 L936 | I889-C932 HydrophobicContact CG2-CB 4.32Å; T893-C932 HydrophobicContact CG2-CB 4.03Å; T893-C932 WeakPolarHBondContact OG1-CB 3.37Å; T893-C932 PolarHBondContact OG1-SG 3.23Å; L928-C932 WeakPolarHBondContact O-CB 3.39Å; L928-C932 PolarHBondContact O-N 3.01Å; L928-C932 PolarHBondContact O-SG 2.96Å; S930-C932 VanDerWaalsContact C-N 3.34Å; S930-C932 PolarHBondContact O-N 3.46Å; C932-T934 PolarHBondContact O-N 2.9Å; C932-S935 WeakPolarHBondContact O-CB 3.27Å; C932-S935 PolarHBondContact O-N 2.97Å; C932-L936 WeakPolarHBondContact O-CG 3.49Å; C932-L936 PolarHBondContact O-N 3.2Å |
| 933 | L | 88 | Confident | 84 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | -179.7 | 179.8 | 59 | 0 | 0 | 0 | 111.5 | L914 L915 S929 S930 S935 L936 I937 P962 L966 | L914-L933 HydrophobicContact CB-CB 4.31Å; L914-L933 HydrophobicContact CB-CD1 4.34Å; L914-L933 HydrophobicContact CD1-CB 4.07Å; L914-L933 HydrophobicContact CD1-CD1 4.13Å; L915-L933 HydrophobicContact CD2-CD2 3.82Å; L915-L933 HydrophobicContact CG-CD2 4.21Å; S929-L933 VanDerWaalsContact O-CB 3.3Å; S929-L933 WeakPolarHBondContact O-CB 3.37Å; S929-L933 PolarHBondContact O-N 3.39Å; S930-L933 PolarHBondContact O-N 3.14Å; L933-S935 PolarHBondContact O-N 2.73Å; L933-L936 PolarHBondContact O-N 3.28Å; L933-I937 HydrophobicContact CD1-CD1 4.24Å; L933-I937 HydrophobicContact CG-CD1 4.06Å; L933-I937 VanDerWaalsContact O-CG1 3.31Å; L933-I937 WeakPolarHBondContact O-CG1 3.3Å; L933-I937 PolarHBondContact O-N 3.31Å; L933-P962 HydrophobicContact CD1-CB 4.13Å; L933-P962 HydrophobicContact CD2-CB 4.3Å; L933-L966 HydrophobicContact CD2-CD1 4.09Å; L933-L966 HydrophobicContact CD2-CD2 4.06Å; L933-L966 HydrophobicContact CD2-CG 4.22Å |
| 934 | T | 86.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.7 | -35.5 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | S930 S931 C932 I937 R938 E978 C982 | S930-T934 VanDerWaalsContact O-CG2 3.28Å; S930-T934 WeakPolarHBondContact O-CG2 3.43Å; S930-T934 PolarHBondContact O-N 3.48Å; S930-T934 PolarHBondContact O-OG1 3.18Å; S930-T934 VanDerWaalsContact O-OG1 3.07Å; S931-T934 PolarHBondContact O-OG1 3.12Å; S931-T934 VanDerWaalsContact O-OG1 3.11Å; C932-T934 PolarHBondContact O-N 2.9Å; T934-I937 PolarHBondContact O-N 2.98Å; T934-R938 VanDerWaalsContact C-NH1 3.35Å; T934-R938 VanDerWaalsContact CB-NH1 3.29Å; T934-R938 WeakPolarHBondContact O-CG 3.36Å; T934-R938 PolarHBondContact O-N 3.46Å; T934-R938 PolarHBondContact O-NH1 3.29Å; T934-R938 PolarHBondContact OG1-NH1 3.48Å; T934-R938 VanDerWaalsContact OG1-NH1 3.1Å; T934-E978 HydrophobicContact CG2-CB 4.25Å; T934-C982 HydrophobicContact CG2-CB 3.75Å |
| 935 | S | 83.5 | Confident | 82.5 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 15% | 0.147 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 172.4 | -167.2 | 0 | 0 | 0 | 0 | 111.8 | S931 C932 L933 I937 R938 Q939 | S931-S935 VanDerWaalsContact O-CB 3.23Å; S931-S935 WeakPolarHBondContact O-CB 3.38Å; S931-S935 PolarHBondContact O-N 3.44Å; C932-S935 WeakPolarHBondContact O-CB 3.27Å; C932-S935 PolarHBondContact O-N 2.97Å; L933-S935 PolarHBondContact O-N 2.73Å; S935-I937 PolarHBondContact O-N 3.36Å; S935-R938 PolarHBondContact O-N 3.07Å; S935-Q939 WeakPolarHBondContact O-CG 3.29Å; S935-Q939 PolarHBondContact O-N 2.84Å; S935-Q939 VanDerWaalsContact O-N 3.1Å |
| 936 | L | 85.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -70.7 | 176.1 | 0 | 0 | 0 | 112.1 | T893 G896 L897 W906 W907 I910 L914 C932 L933 R938 Q939 A940 | T893-L936 HydrophobicContact CG2-CD2 4.38Å; T893-L936 HydrophobicContact CG2-CG 4.29Å; G896-L936 VanDerWaalsContact C-CD2 3.5Å; L897-L936 HydrophobicContact CD2-CD2 4.23Å; L897-L936 HydrophobicContact CG-CD2 4.06Å; W906-L936 HydrophobicContact CH2-CD2 4.33Å; W907-L936 HydrophobicContact CH2-CB 4.27Å; W907-L936 HydrophobicContact CZ3-CB 4.09Å; I910-L936 HydrophobicContact CG2-CD1 3.91Å; L914-L936 HydrophobicContact CD1-CD1 3.77Å; C932-L936 WeakPolarHBondContact O-CG 3.49Å; C932-L936 PolarHBondContact O-N 3.2Å; L933-L936 PolarHBondContact O-N 3.28Å; L936-R938 PolarHBondContact O-N 3.2Å; L936-Q939 PolarHBondContact O-N 3.19Å; L936-A940 VanDerWaalsContact O-CB 3.24Å; L936-A940 WeakPolarHBondContact O-CB 3.19Å; L936-A940 PolarHBondContact O-N 3.42Å |
| 937 | I | 86 | Confident | 80.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.6 | -67.2 | 162.3 | 0 | 0 | 0 | 111.1 | W907 L933 T934 S935 Q939 A940 I941 V959 L960 L963 | W907-I937 HydrophobicContact CH2-CB 4.39Å; W907-I937 HydrophobicContact CH2-CG1 3.66Å; W907-I937 HydrophobicContact CZ2-CG1 3.84Å; L933-I937 HydrophobicContact CD1-CD1 4.24Å; L933-I937 HydrophobicContact CG-CD1 4.06Å; L933-I937 VanDerWaalsContact O-CG1 3.31Å; L933-I937 WeakPolarHBondContact O-CG1 3.3Å; L933-I937 PolarHBondContact O-N 3.31Å; T934-I937 PolarHBondContact O-N 2.98Å; S935-I937 PolarHBondContact O-N 3.36Å; I937-Q939 PolarHBondContact O-N 2.76Å; I937-A940 PolarHBondContact O-N 2.94Å; I937-I941 HydrophobicContact CG2-CD1 3.85Å; I937-I941 WeakPolarHBondContact O-CG1 3.26Å; I937-I941 PolarHBondContact O-N 3.28Å; I937-V959 HydrophobicContact CG2-CG1 4.43Å; I937-L960 HydrophobicContact CG2-CD2 4.42Å; I937-L963 HydrophobicContact CD1-CB 4.1Å; I937-L963 HydrophobicContact CD1-CD1 3.99Å |
| 938 | R | 84.7 | Confident | 80.1 | Confident | 29 Ų | 29 | 30.9 Ų | 30.9 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 178.3 | -69.9 | -174.7 | -59.2 | -91.8 | 6.4 | 112.7 | T934 S935 L936 A942 L986 | T934-R938 VanDerWaalsContact C-NH1 3.35Å; T934-R938 VanDerWaalsContact CB-NH1 3.29Å; T934-R938 WeakPolarHBondContact O-CG 3.36Å; T934-R938 PolarHBondContact O-N 3.46Å; T934-R938 PolarHBondContact O-NH1 3.29Å; T934-R938 PolarHBondContact OG1-NH1 3.48Å; T934-R938 VanDerWaalsContact OG1-NH1 3.1Å; S935-R938 PolarHBondContact O-N 3.07Å; L936-R938 PolarHBondContact O-N 3.2Å; R938-A942 WeakPolarHBondContact O-CB 3.42Å; R938-A942 PolarHBondContact O-N 3.36Å; R938-A942 VanDerWaalsContact O-N 3.1Å; R938-L986 HydrophobicContact CG-CD2 4.37Å |
| 939 | Q | 81.3 | Confident | 79.9 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.1 | -34.4 | 179.6 | -55.6 | -61.6 | -32 | 0 | 0 | 112.3 | L773 F775 L897 V900 S935 L936 I937 I941 A942 A943 | L773-Q939 HydrophobicContact CD2-CG 4.45Å; F775-Q939 PolarHBondContact O-NE2 3.46Å; L897-Q939 HydrophobicContact CD2-CB 4.13Å; L897-Q939 HydrophobicContact CD2-CG 3.47Å; L897-Q939 VanDerWaalsContact CD2-CG 3.47Å; V900-Q939 HydrophobicContact CG2-CB 4.32Å; S935-Q939 WeakPolarHBondContact O-CG 3.29Å; S935-Q939 PolarHBondContact O-N 2.84Å; S935-Q939 VanDerWaalsContact O-N 3.1Å; L936-Q939 PolarHBondContact O-N 3.19Å; I937-Q939 PolarHBondContact O-N 2.76Å; Q939-I941 VanDerWaalsContact C-N 3.25Å; Q939-I941 PolarHBondContact O-N 3.04Å; Q939-A942 PolarHBondContact O-N 3.22Å; Q939-A943 PolarHBondContact O-N 3.29Å |
| 940 | A | 81.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.3 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L903 W907 L936 I937 V959 | L903-A940 HydrophobicContact CD1-CB 3.36Å; W907-A940 HydrophobicContact CH2-CB 4.15Å; W907-A940 HydrophobicContact CZ3-CB 3.87Å; L936-A940 VanDerWaalsContact O-CB 3.24Å; L936-A940 WeakPolarHBondContact O-CB 3.19Å; L936-A940 PolarHBondContact O-N 3.42Å; I937-A940 PolarHBondContact O-N 2.94Å; A940-V959 HydrophobicContact CB-CG1 3.94Å; A940-V959 HydrophobicContact CB-CG2 4.47Å |
| 941 | I | 79.6 | Confident | 79 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79 | -34 | 177.8 | -64 | 166.4 | 0 | 0 | 0 | 111.4 | I937 Q939 F949 W950 V959 L960 L986 W990 | I937-I941 HydrophobicContact CG2-CD1 3.85Å; I937-I941 WeakPolarHBondContact O-CG1 3.26Å; I937-I941 PolarHBondContact O-N 3.28Å; Q939-I941 VanDerWaalsContact C-N 3.25Å; Q939-I941 PolarHBondContact O-N 3.04Å; I941-F949 HydrophobicContact CD1-CE1 4.43Å; I941-F949 HydrophobicContact CD1-CZ 4.24Å; I941-F949 HydrophobicContact CG1-CD1 4.24Å; I941-F949 HydrophobicContact CG1-CD2 4.16Å; I941-F949 HydrophobicContact CG1-CE1 3.83Å; I941-F949 HydrophobicContact CG1-CE2 3.71Å; I941-F949 HydrophobicContact CG1-CG 4.43Å; I941-F949 HydrophobicContact CG1-CZ 3.56Å; I941-F949 HydrophobicContact CG2-CD1 4.24Å; I941-F949 HydrophobicContact CG2-CE1 4.47Å; I941-W950 HydrophobicContact CG2-CH2 4.49Å; I941-W950 HydrophobicContact CG2-CZ2 3.59Å; I941-V959 HydrophobicContact CG1-CG1 4.26Å; I941-L960 HydrophobicContact CD1-CD2 4.14Å; I941-L986 HydrophobicContact CD1-CD1 3.8Å; I941-L986 HydrophobicContact CD1-CD2 3.51Å; I941-L986 HydrophobicContact CD1-CG 4.3Å; I941-W990 HydrophobicContact CB-CE3 4.46Å; I941-W990 HydrophobicContact CB-CZ3 4.38Å; I941-W990 HydrophobicContact CG2-CD2 3.51Å; I941-W990 HydrophobicContact CG2-CE3 3.53Å; I941-W990 HydrophobicContact CG2-CG 4.05Å; I941-W990 HydrophobicContact CG2-CH2 4.22Å; I941-W990 HydrophobicContact CG2-CZ2 4.19Å; I941-W990 HydrophobicContact CG2-CZ3 3.9Å |
| 942 | A | 78.8 | Confident | 78.6 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 21% | 0.207 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -76.2 | -19.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F774 F775 R938 Q939 W990 | F774-A942 HydrophobicContact CB-CB 3.98Å; F775-A942 HydrophobicContact CD2-CB 4.13Å; R938-A942 WeakPolarHBondContact O-CB 3.42Å; R938-A942 PolarHBondContact O-N 3.36Å; R938-A942 VanDerWaalsContact O-N 3.1Å; Q939-A942 PolarHBondContact O-N 3.22Å; A942-W990 HydrophobicContact CB-CH2 3.85Å; A942-W990 HydrophobicContact CB-CZ2 3.6Å |
| 943 | A | 75.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -71 | 138.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | F774 V900 Q939 Q945 | F774-A943 HydrophobicContact CE2-CB 4.34Å; V900-A943 HydrophobicContact CB-CB 4.25Å; V900-A943 HydrophobicContact CG1-CB 3.44Å; V900-A943 VanDerWaalsContact CG1-CB 3.44Å; Q939-A943 PolarHBondContact O-N 3.29Å; A943-Q945 PolarHBondContact O-N 2.93Å |
| 944 | P | 67.2 | Low | 77.5 | Confident | 111 Ų | 111 | 43.3 Ų | 43.3 | 72% | 0.721 | 25% | 0.249 | S | C | * | . | trans | -67.7 | 117.6 | 176.4 | 27.5 | -33.3 | 0 | 0 | 0 | 110.5 | ||||
| 945 | Q | 67.9 | Low | 77.1 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | trans | -117.4 | 151.1 | 177.2 | -63.5 | -67.4 | -5.9 | 0 | 0 | 110.1 | A943 P947 P948 | A943-Q945 PolarHBondContact O-N 2.93Å; Q945-P947 CarbonylContact C-O 3.57Å; Q945-P947 WeakPolarHBondContact CB-O 3.29Å; Q945-P947 CarbonylContact O-C 3.57Å; Q945-P948 WeakPolarHBondContact O-CA 3.15Å | ||
| 946 | N | 63.8 | Low | 76.9 | Confident | 165 Ų | 165 | 42.6 Ų | 42.6 | 88% | 0.882 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -125.6 | 108.4 | 175.1 | -79.4 | -31.5 | 0 | 0 | 0 | 109.9 | ||
| 947 | P | 69.4 | Low | 76.7 | Confident | 67 Ų | 67 | 45.5 Ų | 45.5 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | S | Bend | cis | -66.4 | 161.7 | -3.2 | 30.8 | -36.8 | 0 | 0 | 0 | 112.6 | Q945 Q951 N952 | Q945-P947 CarbonylContact C-O 3.57Å; Q945-P947 WeakPolarHBondContact CB-O 3.29Å; Q945-P947 CarbonylContact O-C 3.57Å; P947-Q951 HydrophobicContact CB-CB 4.18Å; P947-N952 HydrophobicContact CG-CB 4.46Å |
| 948 | P | 74.7 | Confident | 76.4 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | trans | -49.9 | 144.9 | 177.4 | -28.8 | 34.6 | 0 | 0 | 0 | 112.9 | Q945 W950 Q951 | Q945-P948 WeakPolarHBondContact O-CA 3.15Å; P948-W950 PolarHBondContact O-N 3.49Å; P948-Q951 WeakPolarHBondContact O-CB 3.45Å; P948-Q951 PolarHBondContact O-N 3.15Å | ||
| 949 | F | 80 | Confident | 76.4 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -38.2 | -50 | -175 | 173.9 | -85.7 | 0 | 0 | 0 | 113.5 | I941 Q951 N952 L955 N956 V959 | I941-F949 HydrophobicContact CD1-CE1 4.43Å; I941-F949 HydrophobicContact CD1-CZ 4.24Å; I941-F949 HydrophobicContact CG1-CD1 4.24Å; I941-F949 HydrophobicContact CG1-CD2 4.16Å; I941-F949 HydrophobicContact CG1-CE1 3.83Å; I941-F949 HydrophobicContact CG1-CE2 3.71Å; I941-F949 HydrophobicContact CG1-CG 4.43Å; I941-F949 HydrophobicContact CG1-CZ 3.56Å; I941-F949 HydrophobicContact CG2-CD1 4.24Å; I941-F949 HydrophobicContact CG2-CE1 4.47Å; F949-Q951 PolarHBondContact O-N 3.18Å; F949-N952 PolarHBondContact O-N 3.09Å; F949-L955 HydrophobicContact CD2-CD2 3.29Å; F949-L955 HydrophobicContact CE2-CD2 3.3Å; F949-L955 HydrophobicContact CG-CD2 4.31Å; F949-L955 HydrophobicContact CZ-CD2 4.32Å; F949-N956 HydrophobicContact CE1-CB 4.19Å; F949-N956 HydrophobicContact CZ-CB 4.33Å; F949-V959 HydrophobicContact CE2-CB 3.75Å; F949-V959 HydrophobicContact CE2-CG1 3.78Å; F949-V959 HydrophobicContact CE2-CG2 3.95Å; F949-V959 HydrophobicContact CZ-CB 3.93Å; F949-V959 HydrophobicContact CZ-CG1 3.95Å |
| 950 | W | 78.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -72.4 | -23 | -173.6 | -59.9 | 105 | 0 | 0 | 0 | 115.3 | I941 P948 N952 L960 W990 Q993 V994 Q995 | I941-W950 HydrophobicContact CG2-CH2 4.49Å; I941-W950 HydrophobicContact CG2-CZ2 3.59Å; P948-W950 PolarHBondContact O-N 3.49Å; W950-N952 VanDerWaalsContact C-N 3.31Å; W950-L960 HydrophobicContact CZ3-CD1 4.36Å; W950-W990 HydrophobicContact CZ2-CB 3.65Å; W950-W990 HydrophobicContact CZ2-CG 4.17Å; W950-W990 AromaticContact NE1-CD1 3.67Å; W950-W990 AromaticContact NE1-CG 3.62Å; W950-Q993 HydrophobicContact CB-CB 4.14Å; W950-Q993 WeakPolarHBondContact CB-O 3.4Å; W950-Q993 VanDerWaalsContact CD1-OE1 3.27Å; W950-Q993 HydrophobicContact CD2-CB 4.38Å; W950-Q993 HydrophobicContact CG-CB 3.69Å; W950-V994 VanDerWaalsContact CE3-CA 3.45Å; W950-V994 HydrophobicContact CE3-CB 4.29Å; W950-V994 HydrophobicContact CE3-CG1 4.47Å; W950-V994 HydrophobicContact CE3-CG2 4.42Å; W950-V994 HydrophobicContact CH2-CB 4.49Å; W950-V994 HydrophobicContact CH2-CG2 3.87Å; W950-V994 HydrophobicContact CZ2-CG2 4.21Å; W950-V994 HydrophobicContact CZ3-CB 4.1Å; W950-V994 HydrophobicContact CZ3-CG1 3.96Å; W950-V994 HydrophobicContact CZ3-CG2 3.98Å; W950-Q995 PolarHBondContact O-OE1 3.02Å |
| 951 | Q | 75.2 | Confident | 76.6 | Confident | 122 Ų | 122 | 48.5 Ų | 48.5 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -80.2 | -14 | 175.7 | -62.5 | -179.3 | 5.9 | 0 | 0 | 112.4 | P947 P948 F949 | P947-Q951 HydrophobicContact CB-CB 4.18Å; P948-Q951 WeakPolarHBondContact O-CB 3.45Å; P948-Q951 PolarHBondContact O-N 3.15Å; F949-Q951 PolarHBondContact O-N 3.18Å |
| 952 | N | 77.6 | Confident | 76.9 | Confident | 53 Ų | 53 | 48.4 Ų | 48.4 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | trans | -98.8 | 89.8 | 178.7 | -174.2 | -17.4 | 0 | 0 | 0 | 110.3 | P947 F949 W950 A954 L955 N956 | P947-N952 HydrophobicContact CG-CB 4.46Å; F949-N952 PolarHBondContact O-N 3.09Å; W950-N952 VanDerWaalsContact C-N 3.31Å; N952-A954 VanDerWaalsContact C-N 3.31Å; N952-A954 PolarHBondContact O-N 3.01Å; N952-A954 PolarHBondContact OD1-N 3.37Å; N952-L955 HydrophobicContact CB-CB 4.05Å; N952-L955 VanDerWaalsContact CG-CB 3.48Å; N952-L955 PolarHBondContact O-N 3.07Å; N952-L955 PolarHBondContact OD1-N 3.33Å; N952-N956 VanDerWaalsContact O-CB 3.27Å; N952-N956 WeakPolarHBondContact O-CB 3.42Å; N952-N956 PolarHBondContact O-N 2.9Å | ||
| 953 | E | 76.2 | Confident | 77.2 | Confident | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -53.4 | -44.3 | -177.2 | -172.4 | -176.5 | 179.7 | 0 | 0 | 113 | L955 N956 I957 | E953-L955 PolarHBondContact O-N 3.33Å; E953-N956 PolarHBondContact O-N 3.1Å; E953-I957 HydrophobicContact CG-CD1 4.01Å; E953-I957 WeakPolarHBondContact O-CG1 3.49Å; E953-I957 PolarHBondContact O-N 2.94Å |
| 954 | A | 74.3 | Confident | 77.6 | Confident | 72 Ų | 72 | 48 Ų | 48 | 60% | 0.595 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N952 Q958 | N952-A954 VanDerWaalsContact C-N 3.31Å; N952-A954 PolarHBondContact O-N 3.01Å; N952-A954 PolarHBondContact OD1-N 3.37Å; A954-Q958 WeakPolarHBondContact O-CB 3.38Å; A954-Q958 PolarHBondContact O-N 2.96Å; A954-Q958 VanDerWaalsContact O-N 3.1Å |
| 955 | L | 78.4 | Confident | 78.3 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.7 | -40.2 | 177.6 | -169.4 | 156.2 | 0 | 0 | 0 | 111 | L903 F949 N952 E953 I957 Q958 V959 | L903-L955 HydrophobicContact CD2-CG 4.49Å; F949-L955 HydrophobicContact CD2-CD2 3.29Å; F949-L955 HydrophobicContact CE2-CD2 3.3Å; F949-L955 HydrophobicContact CG-CD2 4.31Å; F949-L955 HydrophobicContact CZ-CD2 4.32Å; N952-L955 HydrophobicContact CB-CB 4.05Å; N952-L955 VanDerWaalsContact CG-CB 3.48Å; N952-L955 PolarHBondContact O-N 3.07Å; N952-L955 PolarHBondContact OD1-N 3.33Å; E953-L955 PolarHBondContact O-N 3.33Å; L955-I957 PolarHBondContact O-N 3.4Å; L955-Q958 PolarHBondContact O-N 3.24Å; L955-V959 HydrophobicContact CD2-CG2 3.93Å; L955-V959 WeakPolarHBondContact O-CB 3.45Å; L955-V959 WeakPolarHBondContact O-CG2 3.44Å; L955-V959 PolarHBondContact O-N 3.16Å |
| 956 | N | 80.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 178 | -166.8 | -10.5 | 0 | 0 | 0 | 111.7 | F949 N952 E953 L960 S997 | F949-N956 HydrophobicContact CE1-CB 4.19Å; F949-N956 HydrophobicContact CZ-CB 4.33Å; N952-N956 VanDerWaalsContact O-CB 3.27Å; N952-N956 WeakPolarHBondContact O-CB 3.42Å; N952-N956 PolarHBondContact O-N 2.9Å; E953-N956 PolarHBondContact O-N 3.1Å; N956-L960 WeakPolarHBondContact O-CB 3.33Å; N956-L960 WeakPolarHBondContact O-CG 3.33Å; N956-L960 PolarHBondContact O-N 3.4Å; N956-L960 VanDerWaalsContact O-N 3.14Å; N956-L960 VanDerWaalsContact OD1-CD1 3.28Å; N956-L960 WeakPolarHBondContact OD1-CD1 3.28Å; N956-S997 PolarHBondContact ND2-OG 3.39Å; N956-S997 VanDerWaalsContact ND2-OG 3.15Å; N956-S997 WeakPolarHBondContact OD1-CB 3.3Å; N956-S997 PolarHBondContact OD1-OG 2.99Å |
| 957 | I | 79.3 | Confident | 79.9 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 33% | 0.328 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.4 | -54 | 170.1 | -70.2 | 166.8 | 0 | 0 | 0 | 110.6 | E953 L955 V959 L960 D961 | E953-I957 HydrophobicContact CG-CD1 4.01Å; E953-I957 WeakPolarHBondContact O-CG1 3.49Å; E953-I957 PolarHBondContact O-N 2.94Å; L955-I957 PolarHBondContact O-N 3.4Å; I957-V959 VanDerWaalsContact C-N 3.3Å; I957-V959 PolarHBondContact O-N 3.39Å; I957-L960 PolarHBondContact O-N 3.05Å; I957-D961 WeakPolarHBondContact CG2-OD2 3.45Å; I957-D961 WeakPolarHBondContact O-CB 3.43Å; I957-D961 VanDerWaalsContact O-CG 3.25Å; I957-D961 PolarHBondContact O-N 3.45Å |
| 958 | Q | 80.3 | Confident | 80.3 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 12% | 0.121 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -37.9 | -176.2 | 177.7 | 170 | -62.3 | 0 | 0 | 113 | W907 K908 A954 L955 P962 | W907-Q958 HydrophobicContact CG-CG 4.41Å; W907-Q958 PolarHBondContact NE1-O 3Å; K908-Q958 HydrophobicContact CG-CG 4.35Å; A954-Q958 WeakPolarHBondContact O-CB 3.38Å; A954-Q958 PolarHBondContact O-N 2.96Å; A954-Q958 VanDerWaalsContact O-N 3.1Å; L955-Q958 PolarHBondContact O-N 3.24Å; Q958-P962 WeakPolarHBondContact O-CD 3.41Å |
| 959 | V | 84.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -79.8 | -30.7 | -179.2 | 172.1 | 0 | 0 | 0 | 0 | 113.1 | L903 W907 I937 A940 I941 F949 L955 I957 | L903-V959 HydrophobicContact CD1-CG2 3.81Å; L903-V959 HydrophobicContact CD2-CG2 3.67Å; L903-V959 HydrophobicContact CG-CG2 4.41Å; W907-V959 HydrophobicContact CD2-CG2 4.22Å; W907-V959 HydrophobicContact CH2-CG1 4.07Å; W907-V959 HydrophobicContact CZ2-CB 4.17Å; W907-V959 HydrophobicContact CZ2-CG1 3.85Å; W907-V959 HydrophobicContact CZ2-CG2 4.23Å; W907-V959 WeakPolarHBondContact CZ2-O 3.41Å; I937-V959 HydrophobicContact CG2-CG1 4.43Å; A940-V959 HydrophobicContact CB-CG1 3.94Å; A940-V959 HydrophobicContact CB-CG2 4.47Å; I941-V959 HydrophobicContact CG1-CG1 4.26Å; F949-V959 HydrophobicContact CE2-CB 3.75Å; F949-V959 HydrophobicContact CE2-CG1 3.78Å; F949-V959 HydrophobicContact CE2-CG2 3.95Å; F949-V959 HydrophobicContact CZ-CB 3.93Å; F949-V959 HydrophobicContact CZ-CG1 3.95Å; L955-V959 HydrophobicContact CD2-CG2 3.93Å; L955-V959 WeakPolarHBondContact O-CB 3.45Å; L955-V959 WeakPolarHBondContact O-CG2 3.44Å; L955-V959 PolarHBondContact O-N 3.16Å; I957-V959 VanDerWaalsContact C-N 3.3Å; I957-V959 PolarHBondContact O-N 3.39Å |
| 960 | L | 84.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -94.6 | -13.8 | 179.6 | -62.6 | -179 | 0 | 0 | 0 | 114.7 | I937 I941 W950 N956 I957 L963 T964 L986 L1001 | I937-L960 HydrophobicContact CG2-CD2 4.42Å; I941-L960 HydrophobicContact CD1-CD2 4.14Å; W950-L960 HydrophobicContact CZ3-CD1 4.36Å; N956-L960 WeakPolarHBondContact O-CB 3.33Å; N956-L960 WeakPolarHBondContact O-CG 3.33Å; N956-L960 PolarHBondContact O-N 3.4Å; N956-L960 VanDerWaalsContact O-N 3.14Å; N956-L960 VanDerWaalsContact OD1-CD1 3.28Å; N956-L960 WeakPolarHBondContact OD1-CD1 3.28Å; I957-L960 PolarHBondContact O-N 3.05Å; L960-L963 HydrophobicContact CD2-CD2 4.09Å; L960-L963 WeakPolarHBondContact O-CB 3.47Å; L960-L963 PolarHBondContact O-N 2.85Å; L960-L963 VanDerWaalsContact O-N 3.1Å; L960-T964 PolarHBondContact O-N 3.12Å; L960-T964 PolarHBondContact O-OG1 3.38Å; L960-L986 HydrophobicContact CD2-CD1 4.2Å; L960-L1001 HydrophobicContact CD1-CD2 4.36Å |
| 961 | D | 83 | Confident | 80.3 | Confident | 71 Ų | 71 | 45.8 Ų | 45.8 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.6 | -46.9 | 173 | -86.5 | -22.7 | 0 | 0 | 0 | 112.7 | I957 L963 T964 A965 R1000 | I957-D961 WeakPolarHBondContact CG2-OD2 3.45Å; I957-D961 WeakPolarHBondContact O-CB 3.43Å; I957-D961 VanDerWaalsContact O-CG 3.25Å; I957-D961 PolarHBondContact O-N 3.45Å; D961-L963 VanDerWaalsContact C-N 3.31Å; D961-L963 PolarHBondContact O-N 3.18Å; D961-T964 WeakPolarHBondContact O-CB 3.47Å; D961-T964 PolarHBondContact O-N 3.03Å; D961-A965 PolarHBondContact O-N 3.41Å; D961-R1000 IonicContact OD1-CZ 3.23Å; D961-R1000 IonicContact OD1-NH1 3.4Å; D961-R1000 PolarHBondContact OD1-NH1 3.37Å; D961-R1000 IonicContact OD1-NH2 2.68Å; D961-R1000 PolarHBondContact OD1-NH2 3.27Å |
| 962 | P | 85 | Confident | 80.7 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 174.7 | -23.3 | 34.4 | 0 | 0 | 0 | 113.1 | W907 L915 L933 Q958 T964 A965 L966 | W907-P962 HydrophobicContact CZ2-CG 4.36Å; L915-P962 HydrophobicContact CD1-CB 4.05Å; L915-P962 HydrophobicContact CD2-CB 4.34Å; L915-P962 HydrophobicContact CG-CB 4.33Å; L933-P962 HydrophobicContact CD1-CB 4.13Å; L933-P962 HydrophobicContact CD2-CB 4.3Å; Q958-P962 WeakPolarHBondContact O-CD 3.41Å; P962-T964 PolarHBondContact O-N 3.15Å; P962-A965 PolarHBondContact O-N 3.13Å; P962-L966 WeakPolarHBondContact O-CG 3.45Å; P962-L966 PolarHBondContact O-N 3.39Å |
| 963 | L | 85 | Confident | 80.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -28.8 | 177.1 | -162.6 | 68 | 0 | 0 | 0 | 111.8 | I937 L960 D961 Q979 C982 V983 L986 L1001 I1004 | I937-L963 HydrophobicContact CD1-CB 4.1Å; I937-L963 HydrophobicContact CD1-CD1 3.99Å; L960-L963 HydrophobicContact CD2-CD2 4.09Å; L960-L963 WeakPolarHBondContact O-CB 3.47Å; L960-L963 PolarHBondContact O-N 2.85Å; L960-L963 VanDerWaalsContact O-N 3.1Å; D961-L963 VanDerWaalsContact C-N 3.31Å; D961-L963 PolarHBondContact O-N 3.18Å; L963-Q979 HydrophobicContact CD1-CG 3.88Å; L963-Q979 HydrophobicContact CG-CG 4.43Å; L963-Q979 PolarHBondContact O-NE2 2.95Å; L963-C982 HydrophobicContact CD1-CB 4.39Å; L963-V983 HydrophobicContact CD2-CG2 3.83Å; L963-V983 HydrophobicContact CG-CG2 4.45Å; L963-L986 HydrophobicContact CD2-CD1 4.11Å; L963-L1001 HydrophobicContact CD2-CD2 4.4Å; L963-I1004 HydrophobicContact CB-CD1 4.32Å; L963-I1004 HydrophobicContact CD2-CD1 4.27Å; L963-I1004 HydrophobicContact CG-CD1 4.13Å |
| 964 | T | 84.6 | Confident | 81.2 | Confident | 25 Ų | 25 | 39 Ų | 39 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.9 | -45.5 | 174.3 | -43.2 | 0 | 0 | 0 | 0 | 110.9 | L960 D961 P962 L966 S967 R1000 I1004 | L960-T964 PolarHBondContact O-N 3.12Å; L960-T964 PolarHBondContact O-OG1 3.38Å; D961-T964 WeakPolarHBondContact O-CB 3.47Å; D961-T964 PolarHBondContact O-N 3.03Å; P962-T964 PolarHBondContact O-N 3.15Å; T964-L966 PolarHBondContact O-N 2.92Å; T964-L966 VanDerWaalsContact O-N 3.1Å; T964-S967 PolarHBondContact O-N 2.98Å; T964-S967 PolarHBondContact O-OG 2.89Å; T964-R1000 WeakPolarHBondContact OG1-CD 3.39Å; T964-R1000 WeakPolarHBondContact OG1-CG 3.37Å; T964-R1000 PolarHBondContact OG1-NH1 3.47Å; T964-I1004 HydrophobicContact CG2-CG1 4.4Å |
| 965 | A | 82.3 | Confident | 81.8 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 17% | 0.174 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -29.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L915 D961 P962 S967 D968 H969 | L915-A965 HydrophobicContact CD1-CB 3.98Å; L915-A965 HydrophobicContact CD2-CB 3.93Å; D961-A965 PolarHBondContact O-N 3.41Å; P962-A965 PolarHBondContact O-N 3.13Å; A965-S967 PolarHBondContact O-N 3.18Å; A965-D968 PolarHBondContact O-N 3.39Å; A965-H969 PolarHBondContact O-N 3.19Å; A965-H969 VanDerWaalsContact O-N 3.13Å |
| 966 | L | 84.3 | Confident | 82.2 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -33.1 | 174 | -69.4 | -177.2 | 0 | 0 | 0 | 114.1 | L915 C918 L933 P962 T964 I970 V975 Q979 | L915-L966 HydrophobicContact CD2-CD2 3.68Å; L915-L966 HydrophobicContact CD2-CG 4.07Å; C918-L966 HydrophobicContact CB-CD2 4.13Å; L933-L966 HydrophobicContact CD2-CD1 4.09Å; L933-L966 HydrophobicContact CD2-CD2 4.06Å; L933-L966 HydrophobicContact CD2-CG 4.22Å; P962-L966 WeakPolarHBondContact O-CG 3.45Å; P962-L966 PolarHBondContact O-N 3.39Å; T964-L966 PolarHBondContact O-N 2.92Å; T964-L966 VanDerWaalsContact O-N 3.1Å; L966-I970 HydrophobicContact CD2-CD1 3.67Å; L966-V975 HydrophobicContact CD1-CG1 4.47Å; L966-V975 HydrophobicContact CD2-CG1 3.72Å; L966-V975 HydrophobicContact CG-CG1 4.45Å; L966-Q979 HydrophobicContact CB-CG 4.22Å; L966-Q979 HydrophobicContact CD1-CB 4.22Å; L966-Q979 HydrophobicContact CD1-CG 4.16Å |
| 967 | S | 80.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -81.4 | -27.9 | 178.1 | 51 | 0 | 0 | 0 | 0 | 113.3 | T964 A965 R1009 | T964-S967 PolarHBondContact O-N 2.98Å; T964-S967 PolarHBondContact O-OG 2.89Å; A965-S967 PolarHBondContact O-N 3.18Å; S967-R1009 PolarHBondContact O-NH2 3.43Å |
| 968 | D | 77.4 | Confident | 82.7 | Confident | 96 Ų | 96 | 38 Ų | 38 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -95.7 | -40 | -165.5 | -64 | 8.1 | 0 | 0 | 0 | 111.3 | A965 | A965-D968 PolarHBondContact O-N 3.39Å |
| 969 | H | 74.5 | Confident | 83.1 | Confident | 145 Ų | 145 | 36.8 Ų | 36.8 | 67% | 0.671 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -99.3 | -16.7 | -173.6 | -62.1 | -37.1 | 0 | 0 | 0 | 114.9 | A965 | A965-H969 PolarHBondContact O-N 3.19Å; A965-H969 VanDerWaalsContact O-N 3.13Å |
| 970 | I | 79.7 | Confident | 83.3 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | trans | -112.1 | 144.7 | -169.6 | -48.5 | -170.7 | 0 | 0 | 0 | 110.6 | C918 L966 Y972 V975 R1009 | C918-I970 HydrophobicContact CB-CD1 3.43Å; C918-I970 VanDerWaalsContact CB-CD1 3.43Å; L966-I970 HydrophobicContact CD2-CD1 3.67Å; I970-Y972 HydrophobicContact CG2-CD2 3.71Å; I970-Y972 HydrophobicContact CG2-CG 4.45Å; I970-V975 HydrophobicContact CD1-CG1 4.39Å; I970-V975 HydrophobicContact CG2-CB 4.32Å; I970-V975 HydrophobicContact CG2-CG1 4.28Å; I970-V975 HydrophobicContact CG2-CG2 4.26Å; I970-R1009 PolarHBondContact O-NH1 3.42Å; I970-R1009 PolarHBondContact O-NH2 2.93Å | ||
| 971 | I | 78.3 | Confident | 83.4 | Confident | 128 Ų | 128 | 40.4 Ų | 40.4 | 66% | 0.656 | 20% | 0.201 | S | C | * | . | trans | -120.7 | 17.4 | -171.9 | -35.1 | 178.5 | 0 | 0 | 0 | 112.1 | ||||
| 972 | Y | 84.3 | Confident | 83.6 | Confident | 75 Ų | 75 | 37 Ų | 37 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | trans | -105.9 | 127.1 | -175.9 | -59.5 | -66.2 | 0 | 0 | 0 | 112.2 | I970 D974 V975 R976 | I970-Y972 HydrophobicContact CG2-CD2 3.71Å; I970-Y972 HydrophobicContact CG2-CG 4.45Å; Y972-D974 VanDerWaalsContact C-N 3.32Å; Y972-D974 WeakPolarHBondContact CB-OD1 3.42Å; Y972-D974 PolarHBondContact O-N 2.86Å; Y972-V975 PolarHBondContact O-N 3.4Å; Y972-R976 PolarHBondContact O-N 3.48Å | ||
| 973 | D | 82.1 | Confident | 83.7 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 22% | 0.219 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -37.7 | -178.4 | -75 | -5.5 | 0 | 0 | 0 | 113.4 | V975 R976 E977 Y1012 L1016 | D973-V975 VanDerWaalsContact C-N 3.32Å; D973-V975 PolarHBondContact O-N 3.27Å; D973-R976 WeakPolarHBondContact O-CB 3.45Å; D973-R976 PolarHBondContact O-N 3Å; D973-E977 PolarHBondContact O-N 2.85Å; D973-Y1012 WeakPolarHBondContact OD1-CD1 3.49Å; D973-L1016 HydrophobicContact CB-CD1 4.09Å |
| 974 | D | 82.7 | Confident | 83.8 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -32 | -178.1 | 54 | 6.4 | 0 | 0 | 0 | 112.7 | R926 Q927 Y972 E978 | R926-D974 IonicContact CZ-OD1 3.92Å; R926-D974 IonicContact CZ-OD2 2.82Å; R926-D974 IonicContact NE-OD1 2.61Å; R926-D974 PolarHBondContact NE-OD1 3.49Å; R926-D974 IonicContact NE-OD2 2.75Å; R926-D974 PolarHBondContact NE-OD2 3.02Å; R926-D974 IonicContact NH2-OD1 3.74Å; R926-D974 IonicContact NH2-OD2 3.39Å; R926-D974 PolarHBondContact NH2-OD2 3.35Å; Q927-D974 HydrophobicContact CG-CB 3.92Å; Q927-D974 WeakPolarHBondContact CG-OD2 3.4Å; Q927-D974 PolarHBondContact NE2-OD2 3.06Å; Y972-D974 VanDerWaalsContact C-N 3.32Å; Y972-D974 WeakPolarHBondContact CB-OD1 3.42Å; Y972-D974 PolarHBondContact O-N 2.86Å; D974-E978 PolarHBondContact O-N 3.46Å |
| 975 | V | 86.2 | Confident | 83.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.7 | -41.4 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 111 | R926 L966 I970 Y972 D973 E977 Q979 | R926-V975 HydrophobicContact CG-CG2 3.47Å; R926-V975 VanDerWaalsContact CG-CG2 3.47Å; L966-V975 HydrophobicContact CD1-CG1 4.47Å; L966-V975 HydrophobicContact CD2-CG1 3.72Å; L966-V975 HydrophobicContact CG-CG1 4.45Å; I970-V975 HydrophobicContact CD1-CG1 4.39Å; I970-V975 HydrophobicContact CG2-CB 4.32Å; I970-V975 HydrophobicContact CG2-CG1 4.28Å; I970-V975 HydrophobicContact CG2-CG2 4.26Å; Y972-V975 PolarHBondContact O-N 3.4Å; D973-V975 VanDerWaalsContact C-N 3.32Å; D973-V975 PolarHBondContact O-N 3.27Å; V975-E977 VanDerWaalsContact C-N 3.31Å; V975-E977 PolarHBondContact O-N 2.96Å; V975-Q979 WeakPolarHBondContact O-CB 3.5Å; V975-Q979 PolarHBondContact O-N 3.11Å |
| 976 | R | 86.7 | Confident | 83.9 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 177.4 | -176.2 | 57.9 | 169 | 167.2 | 3.2 | 112.1 | Y972 D973 Q979 L980 I1004 V1007 Y1012 L1016 | Y972-R976 PolarHBondContact O-N 3.48Å; D973-R976 WeakPolarHBondContact O-CB 3.45Å; D973-R976 PolarHBondContact O-N 3Å; R976-Q979 PolarHBondContact O-N 2.93Å; R976-L980 HydrophobicContact CG-CD1 4.15Å; R976-L980 WeakPolarHBondContact O-CB 3.24Å; R976-L980 WeakPolarHBondContact O-CG 3.4Å; R976-L980 PolarHBondContact O-N 3.13Å; R976-I1004 VanDerWaalsContact CZ-O 3.29Å; R976-I1004 PolarHBondContact NH1-O 2.75Å; R976-I1004 PolarHBondContact NH2-O 3.1Å; R976-V1007 PolarHBondContact NH2-O 3.34Å; R976-Y1012 HydrophobicContact CB-CE1 4.45Å; R976-Y1012 HydrophobicContact CG-CE1 4.11Å; R976-Y1012 HydrophobicContact CG-CE2 4.31Å; R976-L1016 HydrophobicContact CG-CD1 4.41Å |
| 977 | E | 86.1 | Confident | 83.9 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60 | -54 | 175.7 | -159.3 | -173.7 | 130 | 0 | 0 | 111.9 | D973 V975 Q979 L980 K981 L1016 | D973-E977 PolarHBondContact O-N 2.85Å; V975-E977 VanDerWaalsContact C-N 3.31Å; V975-E977 PolarHBondContact O-N 2.96Å; E977-Q979 VanDerWaalsContact C-N 3.35Å; E977-Q979 PolarHBondContact O-N 2.75Å; E977-L980 PolarHBondContact O-N 3.49Å; E977-K981 WeakPolarHBondContact O-CG 3.45Å; E977-K981 PolarHBondContact O-N 3.43Å; E977-K981 VanDerWaalsContact OE1-CE 3.25Å; E977-K981 WeakPolarHBondContact OE1-CE 3.3Å; E977-K981 IonicContact OE1-NZ 2.65Å; E977-K981 PolarHBondContact OE1-NZ 3.21Å; E977-L1016 VanDerWaalsContact CA-CD2 3.46Å; E977-L1016 HydrophobicContact CB-CD2 3.6Å; E977-L1016 HydrophobicContact CG-CD2 3.72Å |
| 978 | E | 84.8 | Confident | 84 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | 178.3 | -69.1 | -65.1 | 107.4 | 0 | 0 | 111.9 | S931 T934 D974 L980 K981 C982 | S931-E978 WeakPolarHBondContact CB-OE2 3.38Å; S931-E978 PolarHBondContact OG-OE2 3.09Å; T934-E978 HydrophobicContact CG2-CB 4.25Å; D974-E978 PolarHBondContact O-N 3.46Å; E978-L980 PolarHBondContact O-N 2.96Å; E978-K981 PolarHBondContact O-N 2.9Å; E978-K981 VanDerWaalsContact OE1-CD 3.3Å; E978-K981 WeakPolarHBondContact OE1-CD 3.31Å; E978-K981 IonicContact OE1-NZ 2.69Å; E978-K981 PolarHBondContact OE1-NZ 3.28Å; E978-C982 WeakPolarHBondContact O-CB 3.35Å; E978-C982 PolarHBondContact O-N 3.49Å |
| 979 | Q | 89 | Confident | 84.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 174.1 | -171.8 | -166.9 | 24.9 | 0 | 0 | 111.5 | L963 L966 V975 R976 E977 C982 V983 I1004 | L963-Q979 HydrophobicContact CD1-CG 3.88Å; L963-Q979 HydrophobicContact CG-CG 4.43Å; L963-Q979 PolarHBondContact O-NE2 2.95Å; L966-Q979 HydrophobicContact CB-CG 4.22Å; L966-Q979 HydrophobicContact CD1-CB 4.22Å; L966-Q979 HydrophobicContact CD1-CG 4.16Å; V975-Q979 WeakPolarHBondContact O-CB 3.5Å; V975-Q979 PolarHBondContact O-N 3.11Å; R976-Q979 PolarHBondContact O-N 2.93Å; E977-Q979 VanDerWaalsContact C-N 3.35Å; E977-Q979 PolarHBondContact O-N 2.75Å; Q979-C982 WeakPolarHBondContact O-CB 3.42Å; Q979-C982 PolarHBondContact O-N 3.11Å; Q979-V983 WeakPolarHBondContact O-CG2 3.47Å; Q979-V983 PolarHBondContact O-N 2.9Å; Q979-I1004 HydrophobicContact CG-CG2 4.41Å |
| 980 | L | 88 | Confident | 84.6 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.7 | -41 | -179.7 | -71.5 | 174.6 | 0 | 0 | 0 | 112.6 | R976 E977 E978 C982 V983 Q984 L1016 T1019 S1020 | R976-L980 HydrophobicContact CG-CD1 4.15Å; R976-L980 WeakPolarHBondContact O-CB 3.24Å; R976-L980 WeakPolarHBondContact O-CG 3.4Å; R976-L980 PolarHBondContact O-N 3.13Å; E977-L980 PolarHBondContact O-N 3.49Å; E978-L980 PolarHBondContact O-N 2.96Å; L980-C982 PolarHBondContact O-N 3.15Å; L980-V983 PolarHBondContact O-N 3.39Å; L980-Q984 WeakPolarHBondContact O-CB 3.47Å; L980-Q984 PolarHBondContact O-N 3.32Å; L980-L1016 HydrophobicContact CD1-CB 4.31Å; L980-L1016 HydrophobicContact CD1-CD2 4.5Å; L980-L1016 WeakPolarHBondContact CD1-O 3.46Å; L980-T1019 HydrophobicContact CB-CG2 4.09Å; L980-S1020 WeakPolarHBondContact CD2-OG 3.3Å |
| 981 | K | 85.9 | Confident | 84.5 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57 | -40.3 | 171.3 | -71.4 | 171.7 | -171 | 161.1 | 0 | 111.7 | E977 E978 Q985 | E977-K981 WeakPolarHBondContact O-CG 3.45Å; E977-K981 PolarHBondContact O-N 3.43Å; E977-K981 VanDerWaalsContact OE1-CE 3.25Å; E977-K981 WeakPolarHBondContact OE1-CE 3.3Å; E977-K981 IonicContact OE1-NZ 2.65Å; E977-K981 PolarHBondContact OE1-NZ 3.21Å; E978-K981 PolarHBondContact O-N 2.9Å; E978-K981 VanDerWaalsContact OE1-CD 3.3Å; E978-K981 WeakPolarHBondContact OE1-CD 3.31Å; E978-K981 IonicContact OE1-NZ 2.69Å; E978-K981 PolarHBondContact OE1-NZ 3.28Å; K981-Q985 WeakPolarHBondContact O-CG 3.35Å; K981-Q985 PolarHBondContact O-N 3.2Å; K981-Q985 VanDerWaalsContact O-N 3.16Å |
| 982 | C | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -56.4 | 174.5 | -167.1 | 0 | 0 | 0 | 0 | 110.8 | T934 L963 E978 Q979 L980 Q984 Q985 L986 | T934-C982 HydrophobicContact CG2-CB 3.75Å; L963-C982 HydrophobicContact CD1-CB 4.39Å; E978-C982 WeakPolarHBondContact O-CB 3.35Å; E978-C982 PolarHBondContact O-N 3.49Å; Q979-C982 WeakPolarHBondContact O-CB 3.42Å; Q979-C982 PolarHBondContact O-N 3.11Å; L980-C982 PolarHBondContact O-N 3.15Å; C982-Q984 VanDerWaalsContact C-N 3.3Å; C982-Q984 PolarHBondContact O-N 3.05Å; C982-Q985 PolarHBondContact O-N 3.41Å; C982-Q985 VanDerWaalsContact O-N 3.14Å; C982-L986 WeakPolarHBondContact O-CG 3.36Å; C982-L986 PolarHBondContact O-N 3.45Å |
| 983 | V | 87.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.7 | -42 | 179.2 | 173.6 | 0 | 0 | 0 | 0 | 112 | L963 Q979 L980 Q985 L986 L987 I1004 I1005 | L963-V983 HydrophobicContact CD2-CG2 3.83Å; L963-V983 HydrophobicContact CG-CG2 4.45Å; Q979-V983 WeakPolarHBondContact O-CG2 3.47Å; Q979-V983 PolarHBondContact O-N 2.9Å; L980-V983 PolarHBondContact O-N 3.39Å; V983-Q985 VanDerWaalsContact C-N 3.33Å; V983-Q985 PolarHBondContact O-N 3.26Å; V983-L986 WeakPolarHBondContact O-CB 3.48Å; V983-L986 PolarHBondContact O-N 2.84Å; V983-L986 VanDerWaalsContact O-N 3.15Å; V983-L987 HydrophobicContact CG1-CD1 4.13Å; V983-L987 HydrophobicContact CG1-CG 4.4Å; V983-L987 WeakPolarHBondContact O-CG 3.45Å; V983-L987 PolarHBondContact O-N 3.25Å; V983-I1004 HydrophobicContact CG2-CG2 4.08Å; V983-I1005 HydrophobicContact CG1-CD1 3.74Å; V983-I1005 HydrophobicContact CG1-CG1 3.74Å |
| 984 | Q | 87.3 | Confident | 84 | Confident | 55 Ų | 55 | 38.5 Ų | 38.5 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 177.7 | -164.1 | -172.4 | -23 | 0 | 0 | 111.6 | L980 C982 L987 H988 C1023 | L980-Q984 WeakPolarHBondContact O-CB 3.47Å; L980-Q984 PolarHBondContact O-N 3.32Å; C982-Q984 VanDerWaalsContact C-N 3.3Å; C982-Q984 PolarHBondContact O-N 3.05Å; Q984-L987 PolarHBondContact O-N 3.18Å; Q984-H988 PolarHBondContact O-CD2 3.33Å; Q984-H988 PolarHBondContact O-N 2.97Å; Q984-H988 VanDerWaalsContact O-N 3.14Å; Q984-C1023 WeakPolarHBondContact CA-SG 3.39Å; Q984-C1023 WeakPolarHBondContact CB-SG 3.42Å |
| 985 | Q | 84.3 | Confident | 83.8 | Confident | 71 Ų | 71 | 41 Ų | 41 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.2 | -36.7 | 176.9 | -69.3 | 175.5 | 1.5 | 0 | 0 | 111.7 | K981 C982 V983 L987 H988 C989 | K981-Q985 WeakPolarHBondContact O-CG 3.35Å; K981-Q985 PolarHBondContact O-N 3.2Å; K981-Q985 VanDerWaalsContact O-N 3.16Å; C982-Q985 PolarHBondContact O-N 3.41Å; C982-Q985 VanDerWaalsContact O-N 3.14Å; V983-Q985 VanDerWaalsContact C-N 3.33Å; V983-Q985 PolarHBondContact O-N 3.26Å; Q985-L987 PolarHBondContact O-N 3.17Å; Q985-H988 PolarHBondContact O-N 3.46Å; Q985-C989 WeakPolarHBondContact O-CB 3.49Å; Q985-C989 PolarHBondContact O-N 3.18Å; Q985-C989 VanDerWaalsContact O-N 3.17Å; Q985-C989 PolarHBondContact O-SG 2.99Å |
| 986 | L | 84.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 175.3 | -62.2 | -170.1 | 0 | 0 | 0 | 111.8 | R938 I941 L960 L963 C982 V983 C989 W990 | R938-L986 HydrophobicContact CG-CD2 4.37Å; I941-L986 HydrophobicContact CD1-CD1 3.8Å; I941-L986 HydrophobicContact CD1-CD2 3.51Å; I941-L986 HydrophobicContact CD1-CG 4.3Å; L960-L986 HydrophobicContact CD2-CD1 4.2Å; L963-L986 HydrophobicContact CD2-CD1 4.11Å; C982-L986 WeakPolarHBondContact O-CG 3.36Å; C982-L986 PolarHBondContact O-N 3.45Å; V983-L986 WeakPolarHBondContact O-CB 3.48Å; V983-L986 PolarHBondContact O-N 2.84Å; V983-L986 VanDerWaalsContact O-N 3.15Å; L986-C989 PolarHBondContact O-N 3.32Å; L986-W990 HydrophobicContact CD2-CE3 3.91Å; L986-W990 HydrophobicContact CD2-CZ3 3.69Å; L986-W990 PolarHBondContact O-N 3.46Å |
| 987 | L | 83.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.9 | -44.5 | -179.2 | -64.4 | 171.7 | 0 | 0 | 0 | 112.1 | V983 Q984 Q985 C989 G991 W998 L1001 I1005 C1023 L1026 I1027 Y1031 | V983-L987 HydrophobicContact CG1-CD1 4.13Å; V983-L987 HydrophobicContact CG1-CG 4.4Å; V983-L987 WeakPolarHBondContact O-CG 3.45Å; V983-L987 PolarHBondContact O-N 3.25Å; Q984-L987 PolarHBondContact O-N 3.18Å; Q985-L987 PolarHBondContact O-N 3.17Å; L987-C989 VanDerWaalsContact C-N 3.26Å; L987-C989 PolarHBondContact O-N 2.87Å; L987-G991 PolarHBondContact O-N 3.04Å; L987-G991 VanDerWaalsContact O-N 3.16Å; L987-W998 HydrophobicContact CD2-CH2 3.89Å; L987-W998 HydrophobicContact CD2-CZ3 3.52Å; L987-L1001 HydrophobicContact CD2-CD1 4.17Å; L987-I1005 HydrophobicContact CD1-CD1 4.09Å; L987-C1023 HydrophobicContact CD1-CB 3.69Å; L987-L1026 HydrophobicContact CB-CD2 3.67Å; L987-I1027 HydrophobicContact CD1-CD1 4.03Å; L987-I1027 HydrophobicContact CD1-CG1 3.89Å; L987-I1027 HydrophobicContact CD2-CD1 3.97Å; L987-I1027 HydrophobicContact CD2-CG1 3.83Å; L987-Y1031 PolarHBondContact O-OH 3.17Å |
| 988 | H | 83.9 | Confident | 83 | Confident | 110 Ų | 110 | 44.3 Ų | 44.3 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.6 | -26.7 | 178.4 | -76.7 | -57 | 0 | 0 | 0 | 114.1 | Q984 Q985 | Q984-H988 PolarHBondContact O-CD2 3.33Å; Q984-H988 PolarHBondContact O-N 2.97Å; Q984-H988 VanDerWaalsContact O-N 3.14Å; Q985-H988 PolarHBondContact O-N 3.46Å |
| 989 | C | 82.6 | Confident | 83 | Confident | 53 Ų | 53 | 44.7 Ų | 44.7 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -103.2 | -27.7 | -172.4 | -55.3 | 0 | 0 | 0 | 0 | 113.7 | F775 Q985 L986 L987 | F775-C989 HydrophobicContact CE2-CB 4.3Å; F775-C989 HydrophobicContact CZ-CB 4.16Å; F775-C989 WeakPolarHBondContact CZ-SG 3.29Å; Q985-C989 WeakPolarHBondContact O-CB 3.49Å; Q985-C989 PolarHBondContact O-N 3.18Å; Q985-C989 VanDerWaalsContact O-N 3.17Å; Q985-C989 PolarHBondContact O-SG 2.99Å; L986-C989 PolarHBondContact O-N 3.32Å; L987-C989 VanDerWaalsContact C-N 3.26Å; L987-C989 PolarHBondContact O-N 2.87Å |
| 990 | W | 80.7 | Confident | 82.7 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -137.5 | 9.5 | -171.7 | -62.9 | -71.9 | 0 | 0 | 0 | 115.2 | F775 I941 A942 W950 L986 E992 Q993 | F775-W990 AromaticContact CD2-CH2 3.85Å; F775-W990 HydrophobicContact CD2-CH2 3.85Å; F775-W990 HydrophobicContact CD2-CZ2 4.12Å; F775-W990 AromaticContact CE2-CH2 3.9Å; F775-W990 HydrophobicContact CE2-CH2 3.9Å; F775-W990 HydrophobicContact CE2-CZ2 4.02Å; I941-W990 HydrophobicContact CB-CE3 4.46Å; I941-W990 HydrophobicContact CB-CZ3 4.38Å; I941-W990 HydrophobicContact CG2-CD2 3.51Å; I941-W990 HydrophobicContact CG2-CE3 3.53Å; I941-W990 HydrophobicContact CG2-CG 4.05Å; I941-W990 HydrophobicContact CG2-CH2 4.22Å; I941-W990 HydrophobicContact CG2-CZ2 4.19Å; I941-W990 HydrophobicContact CG2-CZ3 3.9Å; A942-W990 HydrophobicContact CB-CH2 3.85Å; A942-W990 HydrophobicContact CB-CZ2 3.6Å; W950-W990 HydrophobicContact CZ2-CB 3.65Å; W950-W990 HydrophobicContact CZ2-CG 4.17Å; W950-W990 AromaticContact NE1-CD1 3.67Å; W950-W990 AromaticContact NE1-CG 3.62Å; L986-W990 HydrophobicContact CD2-CE3 3.91Å; L986-W990 HydrophobicContact CD2-CZ3 3.69Å; L986-W990 PolarHBondContact O-N 3.46Å; W990-E992 PolarHBondContact O-N 3.47Å; W990-Q993 WeakPolarHBondContact O-CB 3.3Å; W990-Q993 PolarHBondContact O-N 3.43Å |
| 991 | G | 78.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -48.9 | -48.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L987 Q993 V994 W998 | L987-G991 PolarHBondContact O-N 3.04Å; L987-G991 VanDerWaalsContact O-N 3.16Å; G991-Q993 PolarHBondContact O-N 2.93Å; G991-V994 WeakPolarHBondContact O-CG2 3.49Å; G991-V994 PolarHBondContact O-N 3.47Å; G991-W998 WeakPolarHBondContact O-CZ2 3.42Å |
| 992 | E | 77.1 | Confident | 82.7 | Confident | 158 Ų | 158 | 43.9 Ų | 43.9 | 74% | 0.738 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -57.5 | -23.1 | 178.3 | -59.8 | -172.8 | 164.2 | 0 | 0 | 114.3 | W990 Y1031 | W990-E992 PolarHBondContact O-N 3.47Å; E992-Y1031 HydrophobicContact CG-CD1 4.35Å; E992-Y1031 HydrophobicContact CG-CE1 3.75Å |
| 993 | Q | 78.2 | Confident | 82.6 | Confident | 97 Ų | 97 | 49.8 Ų | 49.8 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -96 | -10.9 | -173.2 | -58.4 | -176.2 | -1.6 | 0 | 0 | 113.3 | W950 W990 G991 Q995 | W950-Q993 HydrophobicContact CB-CB 4.14Å; W950-Q993 WeakPolarHBondContact CB-O 3.4Å; W950-Q993 VanDerWaalsContact CD1-OE1 3.27Å; W950-Q993 HydrophobicContact CD2-CB 4.38Å; W950-Q993 HydrophobicContact CG-CB 3.69Å; W990-Q993 WeakPolarHBondContact O-CB 3.3Å; W990-Q993 PolarHBondContact O-N 3.43Å; G991-Q993 PolarHBondContact O-N 2.93Å; Q993-Q995 VanDerWaalsContact C-N 3.26Å; Q993-Q995 WeakPolarHBondContact O-CG 3.44Å; Q993-Q995 PolarHBondContact O-N 3.4Å |
| 994 | V | 78.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -59.6 | -27.1 | -163.3 | 172.8 | 0 | 0 | 0 | 0 | 115.6 | W950 G991 Y996 S997 W998 L1001 | W950-V994 VanDerWaalsContact CE3-CA 3.45Å; W950-V994 HydrophobicContact CE3-CB 4.29Å; W950-V994 HydrophobicContact CE3-CG1 4.47Å; W950-V994 HydrophobicContact CE3-CG2 4.42Å; W950-V994 HydrophobicContact CH2-CB 4.49Å; W950-V994 HydrophobicContact CH2-CG2 3.87Å; W950-V994 HydrophobicContact CZ2-CG2 4.21Å; W950-V994 HydrophobicContact CZ3-CB 4.1Å; W950-V994 HydrophobicContact CZ3-CG1 3.96Å; W950-V994 HydrophobicContact CZ3-CG2 3.98Å; G991-V994 WeakPolarHBondContact O-CG2 3.49Å; G991-V994 PolarHBondContact O-N 3.47Å; V994-Y996 PolarHBondContact O-N 2.74Å; V994-S997 PolarHBondContact O-N 3.28Å; V994-W998 HydrophobicContact CB-CD2 3.8Å; V994-W998 HydrophobicContact CB-CE3 4.35Å; V994-W998 HydrophobicContact CB-CG 4.14Å; V994-W998 HydrophobicContact CB-CZ2 4.03Å; V994-W998 HydrophobicContact CG1-CB 4.3Å; V994-W998 HydrophobicContact CG1-CD2 3.58Å; V994-W998 HydrophobicContact CG1-CE3 3.97Å; V994-W998 HydrophobicContact CG1-CG 3.69Å; V994-W998 HydrophobicContact CG2-CH2 4.37Å; V994-W998 HydrophobicContact CG2-CZ2 4.24Å; V994-L1001 HydrophobicContact CG1-CD1 3.82Å; V994-L1001 HydrophobicContact CG2-CD1 4.19Å | ||
| 995 | Q | 78.1 | Confident | 82.5 | Confident | 81 Ų | 81 | 47.2 Ų | 47.2 | 38% | 0.379 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | 46.3 | -119.2 | 176.6 | -67.7 | -179.8 | 7.2 | 0 | 0 | 113.3 | W950 Q993 S997 W998 | W950-Q995 PolarHBondContact O-OE1 3.02Å; Q993-Q995 VanDerWaalsContact C-N 3.26Å; Q993-Q995 WeakPolarHBondContact O-CG 3.44Å; Q993-Q995 PolarHBondContact O-N 3.4Å; Q995-S997 PolarHBondContact O-N 3.17Å; Q995-W998 PolarHBondContact O-N 3.14Å |
| 996 | Y | 74.8 | Confident | 82.5 | Confident | 150 Ų | 150 | 44.4 Ų | 44.4 | 59% | 0.588 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -66.6 | -21.1 | -171.3 | -56.5 | -81 | 0 | 0 | 0 | 114.4 | V994 W998 | V994-Y996 PolarHBondContact O-N 2.74Å; Y996-W998 VanDerWaalsContact C-N 3.31Å; Y996-W998 PolarHBondContact O-N 3.08Å |
| 997 | S | 80.9 | Confident | 82.5 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -84 | -0.4 | -175.3 | -72.9 | 0 | 0 | 0 | 0 | 114.7 | N956 V994 Q995 L999 R1000 L1001 | N956-S997 PolarHBondContact ND2-OG 3.39Å; N956-S997 VanDerWaalsContact ND2-OG 3.15Å; N956-S997 WeakPolarHBondContact OD1-CB 3.3Å; N956-S997 PolarHBondContact OD1-OG 2.99Å; V994-S997 PolarHBondContact O-N 3.28Å; Q995-S997 PolarHBondContact O-N 3.17Å; S997-L999 PolarHBondContact O-N 2.88Å; S997-R1000 WeakPolarHBondContact O-CB 3.32Å; S997-R1000 PolarHBondContact O-N 3.2Å; S997-R1000 VanDerWaalsContact O-N 3.11Å; S997-L1001 PolarHBondContact O-N 3.32Å; S997-L1001 VanDerWaalsContact O-N 3.14Å |
| 998 | W | 86.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.3 | -48 | 179.9 | -88.4 | 127.9 | 0 | 0 | 0 | 113 | L987 G991 V994 Q995 Y996 R1000 L1001 I1002 I1027 Y1031 L1035 C1039 | L987-W998 HydrophobicContact CD2-CH2 3.89Å; L987-W998 HydrophobicContact CD2-CZ3 3.52Å; G991-W998 WeakPolarHBondContact O-CZ2 3.42Å; V994-W998 HydrophobicContact CB-CD2 3.8Å; V994-W998 HydrophobicContact CB-CE3 4.35Å; V994-W998 HydrophobicContact CB-CG 4.14Å; V994-W998 HydrophobicContact CB-CZ2 4.03Å; V994-W998 HydrophobicContact CG1-CB 4.3Å; V994-W998 HydrophobicContact CG1-CD2 3.58Å; V994-W998 HydrophobicContact CG1-CE3 3.97Å; V994-W998 HydrophobicContact CG1-CG 3.69Å; V994-W998 HydrophobicContact CG2-CH2 4.37Å; V994-W998 HydrophobicContact CG2-CZ2 4.24Å; Q995-W998 PolarHBondContact O-N 3.14Å; Y996-W998 VanDerWaalsContact C-N 3.31Å; Y996-W998 PolarHBondContact O-N 3.08Å; W998-R1000 PolarHBondContact O-N 3.43Å; W998-L1001 PolarHBondContact O-N 3.1Å; W998-L1001 VanDerWaalsContact O-N 3.15Å; W998-I1002 HydrophobicContact CB-CD1 4.48Å; W998-I1002 WeakPolarHBondContact O-CD1 3.4Å; W998-I1002 VanDerWaalsContact O-CG1 3.3Å; W998-I1002 WeakPolarHBondContact O-CG1 3.49Å; W998-I1002 PolarHBondContact O-N 3.23Å; W998-I1027 HydrophobicContact CE3-CD1 4.43Å; W998-I1027 HydrophobicContact CE3-CG2 4.44Å; W998-I1027 HydrophobicContact CH2-CG1 4.34Å; W998-I1027 HydrophobicContact CH2-CG2 4.48Å; W998-I1027 HydrophobicContact CZ3-CB 4.46Å; W998-I1027 HydrophobicContact CZ3-CD1 3.86Å; W998-I1027 HydrophobicContact CZ3-CG1 3.76Å; W998-I1027 HydrophobicContact CZ3-CG2 4.01Å; W998-Y1031 AromaticContact CH2-CD2 3.73Å; W998-Y1031 HydrophobicContact CH2-CD2 3.73Å; W998-Y1031 AromaticContact CH2-CG 3.76Å; W998-Y1031 HydrophobicContact CH2-CG 3.76Å; W998-Y1031 HydrophobicContact CZ2-CD1 4.42Å; W998-Y1031 HydrophobicContact CZ2-CD2 4.28Å; W998-Y1031 AromaticContact CZ2-CG 3.85Å; W998-Y1031 HydrophobicContact CZ2-CG 3.85Å; W998-L1035 HydrophobicContact CB-CD2 3.77Å; W998-L1035 HydrophobicContact CD2-CD2 3.29Å; W998-L1035 HydrophobicContact CE3-CD2 3.72Å; W998-L1035 HydrophobicContact CG-CD2 3.35Å; W998-L1035 HydrophobicContact CZ2-CD2 4.27Å; W998-L1035 HydrophobicContact CZ3-CD2 4.4Å; W998-C1039 WeakPolarHBondContact CB-SG 3.47Å |
| 999 | L | 84.7 | Confident | 82 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -34.8 | 179.1 | 179.7 | 59.6 | 0 | 0 | 0 | 112.3 | S997 K1003 C1039 A1042 | S997-L999 PolarHBondContact O-N 2.88Å; L999-K1003 HydrophobicContact CD1-CD 4.44Å; L999-K1003 HydrophobicContact CG-CD 4.46Å; L999-K1003 WeakPolarHBondContact O-CB 3.49Å; L999-K1003 VanDerWaalsContact O-CG 3.31Å; L999-K1003 WeakPolarHBondContact O-CG 3.48Å; L999-K1003 PolarHBondContact O-N 3.23Å; L999-K1003 VanDerWaalsContact O-N 3.09Å; L999-C1039 PolarHBondContact N-SG 3.13Å; L999-A1042 HydrophobicContact CD1-CB 3.49Å; L999-A1042 VanDerWaalsContact CD1-CB 3.49Å |
| 1000 | R | 82.7 | Confident | 81.4 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 23% | 0.226 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.4 | -47.1 | 178.3 | -175 | -177.1 | -71.4 | -97.8 | 16.3 | 111.3 | D961 T964 S997 W998 I1002 K1003 I1004 | D961-R1000 IonicContact OD1-CZ 3.23Å; D961-R1000 IonicContact OD1-NH1 3.4Å; D961-R1000 PolarHBondContact OD1-NH1 3.37Å; D961-R1000 IonicContact OD1-NH2 2.68Å; D961-R1000 PolarHBondContact OD1-NH2 3.27Å; T964-R1000 WeakPolarHBondContact OG1-CD 3.39Å; T964-R1000 WeakPolarHBondContact OG1-CG 3.37Å; T964-R1000 PolarHBondContact OG1-NH1 3.47Å; S997-R1000 WeakPolarHBondContact O-CB 3.32Å; S997-R1000 PolarHBondContact O-N 3.2Å; S997-R1000 VanDerWaalsContact O-N 3.11Å; W998-R1000 PolarHBondContact O-N 3.43Å; R1000-I1002 PolarHBondContact O-N 3.44Å; R1000-K1003 PolarHBondContact O-N 3.42Å; R1000-I1004 HydrophobicContact CG-CD1 4.13Å; R1000-I1004 VanDerWaalsContact O-CG1 3.3Å; R1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; R1000-I1004 PolarHBondContact O-N 3.38Å |
| 1001 | L | 87.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.5 | -63.7 | -173.9 | 0 | 0 | 0 | 111.7 | L960 L963 L987 V994 S997 W998 I1004 I1005 | L960-L1001 HydrophobicContact CD1-CD2 4.36Å; L963-L1001 HydrophobicContact CD2-CD2 4.4Å; L987-L1001 HydrophobicContact CD2-CD1 4.17Å; V994-L1001 HydrophobicContact CG1-CD1 3.82Å; V994-L1001 HydrophobicContact CG2-CD1 4.19Å; S997-L1001 PolarHBondContact O-N 3.32Å; S997-L1001 VanDerWaalsContact O-N 3.14Å; W998-L1001 PolarHBondContact O-N 3.1Å; W998-L1001 VanDerWaalsContact O-N 3.15Å; L1001-I1004 PolarHBondContact O-N 2.98Å; L1001-I1005 WeakPolarHBondContact O-CD1 3.32Å; L1001-I1005 VanDerWaalsContact O-CG1 3.28Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; L1001-I1005 PolarHBondContact O-N 3.47Å |
| 1002 | I | 87 | Confident | 81.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 177.3 | -66.9 | 157.8 | 0 | 0 | 0 | 110.4 | W998 R1000 I1004 I1005 G1006 I1027 L1035 C1039 A1042 C1043 T1046 | W998-I1002 HydrophobicContact CB-CD1 4.48Å; W998-I1002 WeakPolarHBondContact O-CD1 3.4Å; W998-I1002 VanDerWaalsContact O-CG1 3.3Å; W998-I1002 WeakPolarHBondContact O-CG1 3.49Å; W998-I1002 PolarHBondContact O-N 3.23Å; R1000-I1002 PolarHBondContact O-N 3.44Å; I1002-I1004 PolarHBondContact O-N 3.27Å; I1002-I1005 PolarHBondContact O-N 3.24Å; I1002-G1006 PolarHBondContact O-N 3.21Å; I1002-I1027 HydrophobicContact CG1-CD1 4.17Å; I1002-L1035 HydrophobicContact CD1-CD2 4.2Å; I1002-C1039 HydrophobicContact CD1-CB 3.75Å; I1002-A1042 HydrophobicContact CG2-CB 3.81Å; I1002-C1043 VanDerWaalsContact CD1-SG 3.55Å; I1002-T1046 HydrophobicContact CG2-CG2 3.83Å |
| 1003 | K | 84.5 | Confident | 81.3 | Confident | 123 Ų | 123 | 51.9 Ų | 51.9 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.2 | -44.4 | 175.8 | -77.5 | 177.9 | 176.8 | -177 | 0 | 112.5 | L999 R1000 I1005 G1006 V1007 | L999-K1003 HydrophobicContact CD1-CD 4.44Å; L999-K1003 HydrophobicContact CG-CD 4.46Å; L999-K1003 WeakPolarHBondContact O-CB 3.49Å; L999-K1003 VanDerWaalsContact O-CG 3.31Å; L999-K1003 WeakPolarHBondContact O-CG 3.48Å; L999-K1003 PolarHBondContact O-N 3.23Å; L999-K1003 VanDerWaalsContact O-N 3.09Å; R1000-K1003 PolarHBondContact O-N 3.42Å; K1003-I1005 PolarHBondContact O-N 3.2Å; K1003-G1006 PolarHBondContact O-N 3.23Å; K1003-V1007 PolarHBondContact O-N 2.89Å |
| 1004 | I | 85.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.1 | -69.9 | 163.8 | 0 | 0 | 0 | 111.5 | L963 T964 R976 Q979 V983 R1000 L1001 I1002 G1006 | L963-I1004 HydrophobicContact CB-CD1 4.32Å; L963-I1004 HydrophobicContact CD2-CD1 4.27Å; L963-I1004 HydrophobicContact CG-CD1 4.13Å; T964-I1004 HydrophobicContact CG2-CG1 4.4Å; R976-I1004 VanDerWaalsContact CZ-O 3.29Å; R976-I1004 PolarHBondContact NH1-O 2.75Å; R976-I1004 PolarHBondContact NH2-O 3.1Å; Q979-I1004 HydrophobicContact CG-CG2 4.41Å; V983-I1004 HydrophobicContact CG2-CG2 4.08Å; R1000-I1004 HydrophobicContact CG-CD1 4.13Å; R1000-I1004 VanDerWaalsContact O-CG1 3.3Å; R1000-I1004 WeakPolarHBondContact O-CG1 3.49Å; R1000-I1004 PolarHBondContact O-N 3.38Å; L1001-I1004 PolarHBondContact O-N 2.98Å; I1002-I1004 PolarHBondContact O-N 3.27Å; I1004-G1006 VanDerWaalsContact C-N 3.33Å |
| 1005 | I | 87.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 178 | -68.4 | 163.8 | 0 | 0 | 0 | 110.7 | V983 L987 L1001 I1002 K1003 V1007 S1020 C1023 F1024 I1027 F1050 | V983-I1005 HydrophobicContact CG1-CD1 3.74Å; V983-I1005 HydrophobicContact CG1-CG1 3.74Å; L987-I1005 HydrophobicContact CD1-CD1 4.09Å; L1001-I1005 WeakPolarHBondContact O-CD1 3.32Å; L1001-I1005 VanDerWaalsContact O-CG1 3.28Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; L1001-I1005 PolarHBondContact O-N 3.47Å; I1002-I1005 PolarHBondContact O-N 3.24Å; K1003-I1005 PolarHBondContact O-N 3.2Å; I1005-V1007 VanDerWaalsContact C-N 3.29Å; I1005-V1007 PolarHBondContact O-N 3.07Å; I1005-S1020 WeakPolarHBondContact CG2-O 3.27Å; I1005-S1020 PolarHBondContact O-OG 3.46Å; I1005-C1023 HydrophobicContact CD1-CB 3.92Å; I1005-C1023 HydrophobicContact CG1-CB 4.2Å; I1005-F1024 HydrophobicContact CG2-CB 3.82Å; I1005-F1024 HydrophobicContact CG2-CD2 4.44Å; I1005-I1027 HydrophobicContact CD1-CD1 3.46Å; I1005-I1027 VanDerWaalsContact CD1-CD1 3.46Å; I1005-F1050 HydrophobicContact CG2-CE2 3.93Å; I1005-F1050 HydrophobicContact CG2-CZ 3.92Å |
| 1006 | G | 84.4 | Confident | 82.2 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -19.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | I1002 K1003 I1004 I1008 | I1002-G1006 PolarHBondContact O-N 3.21Å; K1003-G1006 PolarHBondContact O-N 3.23Å; I1004-G1006 VanDerWaalsContact C-N 3.33Å; G1006-I1008 PolarHBondContact O-N 3.34Å |
| 1007 | V | 84.3 | Confident | 82.7 | Confident | 38 Ų | 38 | 45.7 Ų | 45.7 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | trans | -69.9 | 101.2 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 110 | R976 K1003 I1005 R1009 Y1012 | R976-V1007 PolarHBondContact NH2-O 3.34Å; K1003-V1007 PolarHBondContact O-N 2.89Å; I1005-V1007 VanDerWaalsContact C-N 3.29Å; I1005-V1007 PolarHBondContact O-N 3.07Å; V1007-R1009 HydrophobicContact CG1-CG 4.47Å; V1007-Y1012 WeakPolarHBondContact O-CE2 3.45Å | ||
| 1008 | I | 79.7 | Confident | 83.1 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | trans | -117.8 | 116.6 | 174.8 | -53.5 | 172 | 0 | 0 | 0 | 108.1 | G1006 I1017 F1050 Q1053 | G1006-I1008 PolarHBondContact O-N 3.34Å; I1008-I1017 HydrophobicContact CG2-CD1 4.33Å; I1008-F1050 HydrophobicContact CD1-CB 4.49Å; I1008-F1050 HydrophobicContact CD1-CD1 3.42Å; I1008-F1050 VanDerWaalsContact CD1-CD1 3.42Å; I1008-F1050 HydrophobicContact CD1-CD2 4.27Å; I1008-F1050 HydrophobicContact CD1-CE1 3.56Å; I1008-F1050 HydrophobicContact CD1-CE2 4.36Å; I1008-F1050 HydrophobicContact CD1-CG 3.79Å; I1008-F1050 HydrophobicContact CD1-CZ 4.03Å; I1008-F1050 HydrophobicContact CG1-CE1 4.24Å; I1008-Q1053 HydrophobicContact CG2-CB 4.09Å | ||
| 1009 | R | 79 | Confident | 83.1 | Confident | 64 Ų | 64 | 50 Ų | 50 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | trans | -103.8 | 145.3 | 174.6 | -59 | -176.8 | -174 | 171.6 | 3.6 | 109.3 | S967 I970 V1007 S1011 Y1012 | S967-R1009 PolarHBondContact O-NH2 3.43Å; I970-R1009 PolarHBondContact O-NH1 3.42Å; I970-R1009 PolarHBondContact O-NH2 2.93Å; V1007-R1009 HydrophobicContact CG1-CG 4.47Å; R1009-S1011 PolarHBondContact O-N 3.39Å; R1009-S1011 VanDerWaalsContact O-N 3.12Å; R1009-Y1012 HydrophobicContact CB-CD1 4.27Å; R1009-Y1012 HydrophobicContact CB-CD2 4.04Å; R1009-Y1012 HydrophobicContact CB-CE1 4.07Å; R1009-Y1012 HydrophobicContact CB-CE2 3.81Å; R1009-Y1012 HydrophobicContact CB-CG 4.26Å; R1009-Y1012 HydrophobicContact CG-CE1 4.24Å; R1009-Y1012 HydrophobicContact CG-CE2 3.89Å; R1009-Y1012 VanDerWaalsContact N-CD2 3.31Å; R1009-Y1012 VanDerWaalsContact N-CE2 3.26Å; R1009-Y1012 PolarHBondContact O-N 3.02Å | ||
| 1010 | E | 70.1 | Confident | 83.3 | Confident | 152 Ų | 152 | 48.1 Ų | 48.1 | 71% | 0.71 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21 | -178.9 | -58.8 | -161.8 | 137.5 | 0 | 0 | 113.7 | K1054 Q1055 | E1010-K1054 IonicContact OE1-NZ 2.74Å; E1010-K1054 PolarHBondContact OE1-NZ 3.46Å; E1010-Q1055 PolarHBondContact O-NE2 3.32Å |
| 1011 | S | 73.8 | Confident | 83.7 | Confident | 84 Ų | 84 | 46 Ų | 46 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.2 | -179.1 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | R1009 | R1009-S1011 PolarHBondContact O-N 3.39Å; R1009-S1011 VanDerWaalsContact O-N 3.12Å |
| 1012 | Y | 79.7 | Confident | 83.8 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -66.8 | 158.2 | -175 | -68.3 | -27.5 | 0 | 0 | 0 | 112.5 | D973 R976 V1007 R1009 L1016 Q1055 | D973-Y1012 WeakPolarHBondContact OD1-CD1 3.49Å; R976-Y1012 HydrophobicContact CB-CE1 4.45Å; R976-Y1012 HydrophobicContact CG-CE1 4.11Å; R976-Y1012 HydrophobicContact CG-CE2 4.31Å; V1007-Y1012 WeakPolarHBondContact O-CE2 3.45Å; R1009-Y1012 HydrophobicContact CB-CD1 4.27Å; R1009-Y1012 HydrophobicContact CB-CD2 4.04Å; R1009-Y1012 HydrophobicContact CB-CE1 4.07Å; R1009-Y1012 HydrophobicContact CB-CE2 3.81Å; R1009-Y1012 HydrophobicContact CB-CG 4.26Å; R1009-Y1012 HydrophobicContact CG-CE1 4.24Å; R1009-Y1012 HydrophobicContact CG-CE2 3.89Å; R1009-Y1012 VanDerWaalsContact N-CD2 3.31Å; R1009-Y1012 VanDerWaalsContact N-CE2 3.26Å; R1009-Y1012 PolarHBondContact O-N 3.02Å; Y1012-L1016 HydrophobicContact CD1-CD1 4.26Å; Y1012-L1016 HydrophobicContact CG-CD1 4.31Å; Y1012-Q1055 PolarHBondContact O-NE2 3.15Å; Y1012-Q1055 PolarHBondContact O-OE1 3.06Å |
| 1013 | K | 80.3 | Confident | 84 | Confident | 120 Ų | 120 | 51.7 Ų | 51.7 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | trans | -78.2 | 154.4 | 172.2 | -60.3 | 176.3 | -172.3 | 172.5 | 0 | 111.6 | D1015 L1016 I1017 | K1013-D1015 VanDerWaalsContact C-N 3.26Å; K1013-D1015 PolarHBondContact O-N 2.99Å; K1013-L1016 HydrophobicContact CB-CG 4.42Å; K1013-L1016 WeakPolarHBondContact O-CB 3.11Å; K1013-L1016 PolarHBondContact O-N 3.17Å; K1013-I1017 PolarHBondContact O-N 2.7Å | ||
| 1014 | I | 83.4 | Confident | 84.3 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 42% | 0.415 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.6 | -44.1 | -179.6 | -55.2 | 178.2 | 0 | 0 | 0 | 111.2 | L1016 I1017 Q1018 Q1055 | I1014-L1016 VanDerWaalsContact C-N 3.27Å; I1014-L1016 PolarHBondContact O-N 3.03Å; I1014-I1017 PolarHBondContact O-N 3.01Å; I1014-I1017 VanDerWaalsContact O-N 3.08Å; I1014-Q1018 HydrophobicContact CG2-CG 4.41Å; I1014-Q1018 PolarHBondContact O-N 2.88Å; I1014-Q1055 HydrophobicContact CG1-CB 4.26Å |
| 1015 | D | 84.2 | Confident | 84.5 | Confident | 107 Ų | 107 | 51 Ų | 51 | 57% | 0.572 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.6 | -32.9 | -177.8 | -46 | -45.1 | 0 | 0 | 0 | 112.7 | K1013 T1019 | K1013-D1015 VanDerWaalsContact C-N 3.26Å; K1013-D1015 PolarHBondContact O-N 2.99Å; D1015-T1019 WeakPolarHBondContact O-CB 3.36Å; D1015-T1019 PolarHBondContact O-N 3.32Å; D1015-T1019 PolarHBondContact O-OG1 3.42Å |
| 1016 | L | 85.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 175.2 | -61.9 | 177.9 | 0 | 0 | 0 | 111.1 | D973 R976 E977 L980 Y1012 K1013 I1014 T1019 S1020 | D973-L1016 HydrophobicContact CB-CD1 4.09Å; R976-L1016 HydrophobicContact CG-CD1 4.41Å; E977-L1016 VanDerWaalsContact CA-CD2 3.46Å; E977-L1016 HydrophobicContact CB-CD2 3.6Å; E977-L1016 HydrophobicContact CG-CD2 3.72Å; L980-L1016 HydrophobicContact CD1-CB 4.31Å; L980-L1016 HydrophobicContact CD1-CD2 4.5Å; L980-L1016 WeakPolarHBondContact CD1-O 3.46Å; Y1012-L1016 HydrophobicContact CD1-CD1 4.26Å; Y1012-L1016 HydrophobicContact CG-CD1 4.31Å; K1013-L1016 HydrophobicContact CB-CG 4.42Å; K1013-L1016 WeakPolarHBondContact O-CB 3.11Å; K1013-L1016 PolarHBondContact O-N 3.17Å; I1014-L1016 VanDerWaalsContact C-N 3.27Å; I1014-L1016 PolarHBondContact O-N 3.03Å; L1016-T1019 PolarHBondContact O-N 3.41Å; L1016-S1020 WeakPolarHBondContact O-CB 3.28Å; L1016-S1020 PolarHBondContact O-N 2.88Å |
| 1017 | I | 86 | Confident | 84.8 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -42.6 | 178.8 | -55.8 | -177.5 | 0 | 0 | 0 | 109.9 | I1008 K1013 I1014 T1019 S1020 F1021 Q1053 Q1055 I1059 | I1008-I1017 HydrophobicContact CG2-CD1 4.33Å; K1013-I1017 PolarHBondContact O-N 2.7Å; I1014-I1017 PolarHBondContact O-N 3.01Å; I1014-I1017 VanDerWaalsContact O-N 3.08Å; I1017-T1019 VanDerWaalsContact C-N 3.34Å; I1017-T1019 PolarHBondContact O-N 3.37Å; I1017-S1020 PolarHBondContact O-N 2.98Å; I1017-F1021 WeakPolarHBondContact O-CB 3.29Å; I1017-F1021 PolarHBondContact O-N 3.13Å; I1017-Q1053 HydrophobicContact CG2-CB 4.48Å; I1017-Q1053 HydrophobicContact CG2-CG 3.84Å; I1017-Q1055 HydrophobicContact CD1-CB 4.08Å; I1017-Q1055 HydrophobicContact CD1-CG 3.99Å; I1017-I1059 HydrophobicContact CB-CD1 4.46Å; I1017-I1059 HydrophobicContact CG2-CD1 3.8Å |
| 1018 | Q | 88.7 | Confident | 84.8 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 173.3 | -76.2 | -178.4 | 2.4 | 0 | 0 | 112.4 | I1014 F1021 K1022 D1056 I1059 | I1014-Q1018 HydrophobicContact CG2-CG 4.41Å; I1014-Q1018 PolarHBondContact O-N 2.88Å; Q1018-F1021 PolarHBondContact O-N 3.1Å; Q1018-K1022 VanDerWaalsContact O-CG 3.28Å; Q1018-K1022 WeakPolarHBondContact O-CG 3.1Å; Q1018-K1022 PolarHBondContact O-N 3.16Å; Q1018-D1056 PolarHBondContact NE2-OD2 3.2Å; Q1018-I1059 HydrophobicContact CB-CD1 4.35Å; Q1018-I1059 HydrophobicContact CG-CD1 3.79Å |
| 1019 | T | 86.8 | Confident | 85.1 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | L980 D1015 L1016 I1017 F1021 K1022 C1023 | L980-T1019 HydrophobicContact CB-CG2 4.09Å; D1015-T1019 WeakPolarHBondContact O-CB 3.36Å; D1015-T1019 PolarHBondContact O-N 3.32Å; D1015-T1019 PolarHBondContact O-OG1 3.42Å; L1016-T1019 PolarHBondContact O-N 3.41Å; I1017-T1019 VanDerWaalsContact C-N 3.34Å; I1017-T1019 PolarHBondContact O-N 3.37Å; T1019-F1021 VanDerWaalsContact C-N 3.3Å; T1019-F1021 PolarHBondContact O-N 3.17Å; T1019-K1022 PolarHBondContact O-N 3.06Å; T1019-C1023 PolarHBondContact O-N 3.48Å; T1019-C1023 PolarHBondContact O-SG 3.39Å; T1019-C1023 VanDerWaalsContact O-SG 3.32Å |
| 1020 | S | 89.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.1 | -39 | 176.4 | -153.5 | 0 | 0 | 0 | 0 | 112.1 | L980 I1005 L1016 I1017 C1023 F1024 | L980-S1020 WeakPolarHBondContact CD2-OG 3.3Å; I1005-S1020 WeakPolarHBondContact CG2-O 3.27Å; I1005-S1020 PolarHBondContact O-OG 3.46Å; L1016-S1020 WeakPolarHBondContact O-CB 3.28Å; L1016-S1020 PolarHBondContact O-N 2.88Å; I1017-S1020 PolarHBondContact O-N 2.98Å; S1020-C1023 WeakPolarHBondContact O-CB 3.31Å; S1020-C1023 PolarHBondContact O-N 3.25Å; S1020-F1024 PolarHBondContact O-N 3.43Å |
| 1021 | F | 91.5 | Very high | 86.2 | Confident | 14 Ų | 14 | 47 Ų | 47 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.9 | -34.4 | 177.8 | -172.7 | -111.1 | 0 | 0 | 0 | 113.3 | I1017 Q1018 T1019 C1023 F1024 K1025 F1050 I1059 S1062 A1063 | I1017-F1021 WeakPolarHBondContact O-CB 3.29Å; I1017-F1021 PolarHBondContact O-N 3.13Å; Q1018-F1021 PolarHBondContact O-N 3.1Å; T1019-F1021 VanDerWaalsContact C-N 3.3Å; T1019-F1021 PolarHBondContact O-N 3.17Å; F1021-C1023 VanDerWaalsContact C-N 3.3Å; F1021-C1023 PolarHBondContact O-N 3.18Å; F1021-F1024 HydrophobicContact CD2-CB 4.44Å; F1021-F1024 HydrophobicContact CD2-CD1 4.26Å; F1021-F1024 HydrophobicContact CE2-CD1 4.03Å; F1021-F1024 PolarHBondContact O-N 2.96Å; F1021-K1025 WeakPolarHBondContact O-CB 3.26Å; F1021-K1025 PolarHBondContact O-N 3.34Å; F1021-F1050 HydrophobicContact CB-CD1 3.89Å; F1021-F1050 HydrophobicContact CB-CE1 3.72Å; F1021-F1050 HydrophobicContact CB-CZ 4.33Å; F1021-F1050 HydrophobicContact CD2-CB 3.91Å; F1021-F1050 AromaticContact CD2-CD1 3.68Å; F1021-F1050 HydrophobicContact CD2-CD1 3.68Å; F1021-F1050 AromaticContact CD2-CD2 3.97Å; F1021-F1050 HydrophobicContact CD2-CD2 3.97Å; F1021-F1050 HydrophobicContact CD2-CE1 4.15Å; F1021-F1050 HydrophobicContact CD2-CE2 4.42Å; F1021-F1050 AromaticContact CD2-CG 3.6Å; F1021-F1050 HydrophobicContact CD2-CG 3.6Å; F1021-F1050 HydrophobicContact CD2-CZ 4.5Å; F1021-F1050 HydrophobicContact CE2-CB 4.18Å; F1021-F1050 HydrophobicContact CE2-CG 4.28Å; F1021-F1050 HydrophobicContact CG-CD1 4.21Å; F1021-F1050 HydrophobicContact CG-CE1 4.44Å; F1021-I1059 HydrophobicContact CB-CD1 4.05Å; F1021-I1059 HydrophobicContact CB-CG1 4.24Å; F1021-I1059 HydrophobicContact CB-CG2 3.87Å; F1021-I1059 HydrophobicContact CD1-CB 4.26Å; F1021-I1059 HydrophobicContact CD1-CG1 3.93Å; F1021-I1059 HydrophobicContact CD1-CG2 3.96Å; F1021-I1059 HydrophobicContact CD2-CG2 3.74Å; F1021-I1059 HydrophobicContact CE1-CG2 4.49Å; F1021-I1059 HydrophobicContact CE2-CG2 4.3Å; F1021-I1059 HydrophobicContact CG-CB 4.33Å; F1021-I1059 HydrophobicContact CG-CG1 4.18Å; F1021-I1059 HydrophobicContact CG-CG2 3.55Å; F1021-S1062 VanDerWaalsContact CE1-CB 3.44Å; F1021-A1063 HydrophobicContact CE2-CB 3.83Å; F1021-A1063 HydrophobicContact CZ-CB 4.36Å |
| 1022 | K | 89.6 | Confident | 86.6 | Confident | 120 Ų | 120 | 43.2 Ų | 43.2 | 52% | 0.522 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.6 | -44 | 171 | -73.9 | 166.5 | -173 | 173.4 | 0 | 111 | Q1018 T1019 L1026 | Q1018-K1022 VanDerWaalsContact O-CG 3.28Å; Q1018-K1022 WeakPolarHBondContact O-CG 3.1Å; Q1018-K1022 PolarHBondContact O-N 3.16Å; T1019-K1022 PolarHBondContact O-N 3.06Å; K1022-L1026 PolarHBondContact O-N 3.36Å |
| 1023 | C | 90 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -50 | 173 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | Q984 L987 I1005 T1019 S1020 F1021 K1025 L1026 I1027 | Q984-C1023 WeakPolarHBondContact CA-SG 3.39Å; Q984-C1023 WeakPolarHBondContact CB-SG 3.42Å; L987-C1023 HydrophobicContact CD1-CB 3.69Å; I1005-C1023 HydrophobicContact CD1-CB 3.92Å; I1005-C1023 HydrophobicContact CG1-CB 4.2Å; T1019-C1023 PolarHBondContact O-N 3.48Å; T1019-C1023 PolarHBondContact O-SG 3.39Å; T1019-C1023 VanDerWaalsContact O-SG 3.32Å; S1020-C1023 WeakPolarHBondContact O-CB 3.31Å; S1020-C1023 PolarHBondContact O-N 3.25Å; F1021-C1023 VanDerWaalsContact C-N 3.3Å; F1021-C1023 PolarHBondContact O-N 3.18Å; C1023-K1025 PolarHBondContact O-N 3.19Å; C1023-L1026 WeakPolarHBondContact O-CB 3.42Å; C1023-L1026 PolarHBondContact O-N 2.96Å; C1023-I1027 WeakPolarHBondContact O-CG1 3.42Å; C1023-I1027 PolarHBondContact O-N 3.44Å |
| 1024 | F | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | -179.5 | -175.1 | -109.3 | 0 | 0 | 0 | 112.8 | I1005 S1020 F1021 L1026 I1027 V1028 C1043 T1046 A1047 F1050 | I1005-F1024 HydrophobicContact CG2-CB 3.82Å; I1005-F1024 HydrophobicContact CG2-CD2 4.44Å; S1020-F1024 PolarHBondContact O-N 3.43Å; F1021-F1024 HydrophobicContact CD2-CB 4.44Å; F1021-F1024 HydrophobicContact CD2-CD1 4.26Å; F1021-F1024 HydrophobicContact CE2-CD1 4.03Å; F1021-F1024 PolarHBondContact O-N 2.96Å; F1024-L1026 VanDerWaalsContact C-N 3.31Å; F1024-L1026 PolarHBondContact O-N 3.29Å; F1024-I1027 WeakPolarHBondContact O-CB 3.42Å; F1024-I1027 PolarHBondContact O-N 3.33Å; F1024-I1027 VanDerWaalsContact O-N 3.17Å; F1024-V1028 HydrophobicContact CD1-CG2 4.24Å; F1024-V1028 HydrophobicContact CD2-CG2 4.48Å; F1024-V1028 HydrophobicContact CE1-CG2 3.64Å; F1024-V1028 HydrophobicContact CE2-CG2 3.89Å; F1024-V1028 HydrophobicContact CZ-CG2 3.42Å; F1024-V1028 VanDerWaalsContact CZ-CG2 3.42Å; F1024-V1028 PolarHBondContact O-N 3.33Å; F1024-V1028 VanDerWaalsContact O-N 3.1Å; F1024-C1043 WeakPolarHBondContact CZ-O 3.45Å; F1024-T1046 WeakPolarHBondContact CE2-OG1 3.46Å; F1024-A1047 HydrophobicContact CE1-CB 3.67Å; F1024-A1047 HydrophobicContact CZ-CB 3.67Å; F1024-F1050 HydrophobicContact CB-CD2 4.14Å; F1024-F1050 HydrophobicContact CB-CE2 3.56Å; F1024-F1050 HydrophobicContact CB-CZ 4.14Å; F1024-F1050 AromaticContact CD1-CD2 3.89Å; F1024-F1050 HydrophobicContact CD1-CD2 3.89Å; F1024-F1050 HydrophobicContact CD1-CE2 4.16Å; F1024-F1050 HydrophobicContact CD2-CE2 4.27Å; F1024-F1050 AromaticContact CG-CD2 3.93Å; F1024-F1050 HydrophobicContact CG-CD2 3.93Å; F1024-F1050 AromaticContact CG-CE2 3.71Å; F1024-F1050 HydrophobicContact CG-CE2 3.71Å |
| 1025 | K | 90 | Very high | 86.5 | Confident | 111 Ų | 111 | 40.7 Ų | 40.7 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 178.6 | -176.2 | 176.4 | 178.2 | 179.3 | 0 | 111.3 | F1021 C1023 I1027 V1028 T1029 | F1021-K1025 WeakPolarHBondContact O-CB 3.26Å; F1021-K1025 PolarHBondContact O-N 3.34Å; C1023-K1025 PolarHBondContact O-N 3.19Å; K1025-I1027 VanDerWaalsContact C-N 3.32Å; K1025-I1027 PolarHBondContact O-N 3.12Å; K1025-V1028 PolarHBondContact O-N 3.09Å; K1025-T1029 HydrophobicContact CG-CG2 4.2Å; K1025-T1029 PolarHBondContact O-N 2.89Å; K1025-T1029 PolarHBondContact O-OG1 3.3Å; K1025-T1029 VanDerWaalsContact O-OG1 3.05Å |
| 1026 | L | 89.1 | Confident | 86.3 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 12% | 0.12 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 177.5 | -174.4 | 68.2 | 0 | 0 | 0 | 112.3 | L987 K1022 C1023 F1024 D1030 Y1031 | L987-L1026 HydrophobicContact CB-CD2 3.67Å; K1022-L1026 PolarHBondContact O-N 3.36Å; C1023-L1026 WeakPolarHBondContact O-CB 3.42Å; C1023-L1026 PolarHBondContact O-N 2.96Å; F1024-L1026 VanDerWaalsContact C-N 3.31Å; F1024-L1026 PolarHBondContact O-N 3.29Å; L1026-D1030 HydrophobicContact CD1-CB 4.38Å; L1026-D1030 VanDerWaalsContact CD1-OD2 3.26Å; L1026-D1030 WeakPolarHBondContact CD1-OD2 3.38Å; L1026-D1030 WeakPolarHBondContact O-CB 3.35Å; L1026-D1030 PolarHBondContact O-N 2.6Å; L1026-Y1031 HydrophobicContact CD2-CE2 4.46Å; L1026-Y1031 HydrophobicContact CG-CE2 4.09Å |
| 1027 | I | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -62.2 | -48.6 | 175 | -60.6 | 178.7 | 0 | 0 | 0 | 110.9 | L987 W998 I1002 I1005 C1023 F1024 K1025 Y1031 L1032 L1035 | L987-I1027 HydrophobicContact CD1-CD1 4.03Å; L987-I1027 HydrophobicContact CD1-CG1 3.89Å; L987-I1027 HydrophobicContact CD2-CD1 3.97Å; L987-I1027 HydrophobicContact CD2-CG1 3.83Å; W998-I1027 HydrophobicContact CE3-CD1 4.43Å; W998-I1027 HydrophobicContact CE3-CG2 4.44Å; W998-I1027 HydrophobicContact CH2-CG1 4.34Å; W998-I1027 HydrophobicContact CH2-CG2 4.48Å; W998-I1027 HydrophobicContact CZ3-CB 4.46Å; W998-I1027 HydrophobicContact CZ3-CD1 3.86Å; W998-I1027 HydrophobicContact CZ3-CG1 3.76Å; W998-I1027 HydrophobicContact CZ3-CG2 4.01Å; I1002-I1027 HydrophobicContact CG1-CD1 4.17Å; I1005-I1027 HydrophobicContact CD1-CD1 3.46Å; I1005-I1027 VanDerWaalsContact CD1-CD1 3.46Å; C1023-I1027 WeakPolarHBondContact O-CG1 3.42Å; C1023-I1027 PolarHBondContact O-N 3.44Å; F1024-I1027 WeakPolarHBondContact O-CB 3.42Å; F1024-I1027 PolarHBondContact O-N 3.33Å; F1024-I1027 VanDerWaalsContact O-N 3.17Å; K1025-I1027 VanDerWaalsContact C-N 3.32Å; K1025-I1027 PolarHBondContact O-N 3.12Å; I1027-Y1031 CarbonylContact O-C 3.6Å; I1027-Y1031 PolarHBondContact O-N 2.61Å; I1027-L1032 PolarHBondContact O-N 3.38Å; I1027-L1032 VanDerWaalsContact O-N 3.12Å; I1027-L1035 HydrophobicContact CG2-CD1 4.07Å; I1027-L1035 HydrophobicContact CG2-CD2 4.24Å |
| 1028 | V | 85.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -70.5 | -33.1 | -175.3 | 174.4 | 0 | 0 | 0 | 0 | 112.4 | F1024 K1025 L1032 H1069 | F1024-V1028 HydrophobicContact CD1-CG2 4.24Å; F1024-V1028 HydrophobicContact CD2-CG2 4.48Å; F1024-V1028 HydrophobicContact CE1-CG2 3.64Å; F1024-V1028 HydrophobicContact CE2-CG2 3.89Å; F1024-V1028 HydrophobicContact CZ-CG2 3.42Å; F1024-V1028 VanDerWaalsContact CZ-CG2 3.42Å; F1024-V1028 PolarHBondContact O-N 3.33Å; F1024-V1028 VanDerWaalsContact O-N 3.1Å; K1025-V1028 PolarHBondContact O-N 3.09Å; V1028-L1032 WeakPolarHBondContact O-CB 3.29Å; V1028-H1069 HydrophobicContact CG1-CB 4.41Å; V1028-H1069 PolarHBondContact O-CD2 2.9Å; V1028-H1069 VanDerWaalsContact O-CD2 3.27Å; V1028-H1069 PolarHBondContact O-NE2 2.99Å |
| 1029 | T | 85.5 | Confident | 85.4 | Confident | 74 Ų | 74 | 40.6 Ų | 40.6 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -87.3 | -39.6 | -178.5 | 57 | 0 | 0 | 0 | 0 | 114 | K1025 | K1025-T1029 HydrophobicContact CG-CG2 4.2Å; K1025-T1029 PolarHBondContact O-N 2.89Å; K1025-T1029 PolarHBondContact O-OG1 3.3Å; K1025-T1029 VanDerWaalsContact O-OG1 3.05Å |
| 1030 | D | 85.4 | Confident | 85.4 | Confident | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -107.2 | -25.5 | -166.4 | -61.1 | 15 | 0 | 0 | 0 | 112.2 | L1026 | L1026-D1030 HydrophobicContact CD1-CB 4.38Å; L1026-D1030 VanDerWaalsContact CD1-OD2 3.26Å; L1026-D1030 WeakPolarHBondContact CD1-OD2 3.38Å; L1026-D1030 WeakPolarHBondContact O-CB 3.35Å; L1026-D1030 PolarHBondContact O-N 2.6Å |
| 1031 | Y | 85.7 | Confident | 85.3 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 11% | 0.114 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -120.1 | -4.4 | -169.5 | -60.2 | -56.4 | 0 | 0 | 0 | 115.6 | L987 E992 W998 L1026 I1027 S1033 T1034 L1035 | L987-Y1031 PolarHBondContact O-OH 3.17Å; E992-Y1031 HydrophobicContact CG-CD1 4.35Å; E992-Y1031 HydrophobicContact CG-CE1 3.75Å; W998-Y1031 AromaticContact CH2-CD2 3.73Å; W998-Y1031 HydrophobicContact CH2-CD2 3.73Å; W998-Y1031 AromaticContact CH2-CG 3.76Å; W998-Y1031 HydrophobicContact CH2-CG 3.76Å; W998-Y1031 HydrophobicContact CZ2-CD1 4.42Å; W998-Y1031 HydrophobicContact CZ2-CD2 4.28Å; W998-Y1031 AromaticContact CZ2-CG 3.85Å; W998-Y1031 HydrophobicContact CZ2-CG 3.85Å; L1026-Y1031 HydrophobicContact CD2-CE2 4.46Å; L1026-Y1031 HydrophobicContact CG-CE2 4.09Å; I1027-Y1031 CarbonylContact O-C 3.6Å; I1027-Y1031 PolarHBondContact O-N 2.61Å; Y1031-S1033 VanDerWaalsContact C-N 3.28Å; Y1031-S1033 PolarHBondContact O-N 3.41Å; Y1031-T1034 PolarHBondContact O-N 3.38Å; Y1031-T1034 PolarHBondContact O-OG1 3.17Å; Y1031-L1035 PolarHBondContact O-N 3.37Å |
| 1032 | L | 83.8 | Confident | 85 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -53.4 | -40 | -174.2 | 177.8 | 54 | 0 | 0 | 0 | 113.8 | I1027 V1028 T1034 L1035 L1070 F1073 | I1027-L1032 PolarHBondContact O-N 3.38Å; I1027-L1032 VanDerWaalsContact O-N 3.12Å; V1028-L1032 WeakPolarHBondContact O-CB 3.29Å; L1032-T1034 PolarHBondContact O-N 3.1Å; L1032-L1035 HydrophobicContact CD1-CD1 3.9Å; L1032-L1035 WeakPolarHBondContact O-CB 3.32Å; L1032-L1035 PolarHBondContact O-N 2.96Å; L1032-L1070 HydrophobicContact CD1-CD2 3.6Å; L1032-L1070 HydrophobicContact CD2-CD2 4.07Å; L1032-F1073 HydrophobicContact CD1-CD1 3.68Å; L1032-F1073 HydrophobicContact CD1-CE1 3.92Å; L1032-F1073 HydrophobicContact CD1-CG 4.15Å; L1032-F1073 HydrophobicContact CD2-CB 3.66Å; L1032-F1073 HydrophobicContact CD2-CD1 4.12Å; L1032-F1073 HydrophobicContact CD2-CD2 4.25Å; L1032-F1073 HydrophobicContact CD2-CG 3.74Å; L1032-F1073 HydrophobicContact CG-CB 4.16Å; L1032-F1073 HydrophobicContact CG-CD1 3.71Å; L1032-F1073 HydrophobicContact CG-CD2 3.98Å; L1032-F1073 HydrophobicContact CG-CE1 4.04Å; L1032-F1073 HydrophobicContact CG-CE2 4.29Å; L1032-F1073 HydrophobicContact CG-CG 3.66Å; L1032-F1073 HydrophobicContact CG-CZ 4.31Å; L1032-F1073 WeakPolarHBondContact O-CZ 3.27Å |
| 1033 | S | 79.1 | Confident | 85 | Confident | 89 Ų | 89 | 36.4 Ų | 36.4 | 62% | 0.622 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -67.2 | -16.8 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 115 | Y1031 | Y1031-S1033 VanDerWaalsContact C-N 3.28Å; Y1031-S1033 PolarHBondContact O-N 3.41Å |
| 1034 | T | 79.4 | Confident | 85 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 41% | 0.405 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -100.3 | -5 | 179.6 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | Y1031 L1032 | Y1031-T1034 PolarHBondContact O-N 3.38Å; Y1031-T1034 PolarHBondContact O-OG1 3.17Å; L1032-T1034 PolarHBondContact O-N 3.1Å |
| 1035 | L | 82.1 | Confident | 84.9 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | trans | -72.1 | 131.9 | -177.9 | -71 | -179.8 | 0 | 0 | 0 | 111.6 | W998 I1002 I1027 Y1031 L1032 C1039 Y1040 | W998-L1035 HydrophobicContact CB-CD2 3.77Å; W998-L1035 HydrophobicContact CD2-CD2 3.29Å; W998-L1035 HydrophobicContact CE3-CD2 3.72Å; W998-L1035 HydrophobicContact CG-CD2 3.35Å; W998-L1035 HydrophobicContact CZ2-CD2 4.27Å; W998-L1035 HydrophobicContact CZ3-CD2 4.4Å; I1002-L1035 HydrophobicContact CD1-CD2 4.2Å; I1027-L1035 HydrophobicContact CG2-CD1 4.07Å; I1027-L1035 HydrophobicContact CG2-CD2 4.24Å; Y1031-L1035 PolarHBondContact O-N 3.37Å; L1032-L1035 HydrophobicContact CD1-CD1 3.9Å; L1032-L1035 WeakPolarHBondContact O-CB 3.32Å; L1032-L1035 PolarHBondContact O-N 2.96Å; L1035-C1039 HydrophobicContact CB-CB 4.3Å; L1035-C1039 HydrophobicContact CD2-CB 4.41Å; L1035-Y1040 HydrophobicContact CB-CD1 4.44Å; L1035-Y1040 HydrophobicContact CB-CE1 3.88Å; L1035-Y1040 PolarHBondContact O-OH 2.83Å | ||
| 1036 | P | 80.4 | Confident | 84.9 | Confident | 41 Ų | 41 | 36 Ų | 36 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | trans | -62.5 | 150.5 | 169.2 | -20.7 | 31.3 | 0 | 0 | 0 | 111.9 | N1038 C1039 | P1036-N1038 PolarHBondContact O-N 3.47Å; P1036-N1038 VanDerWaalsContact O-N 3.07Å; P1036-C1039 VanDerWaalsContact O-CB 3.24Å; P1036-C1039 WeakPolarHBondContact O-CB 3.23Å; P1036-C1039 PolarHBondContact O-N 3.1Å | ||
| 1037 | S | 75.4 | Confident | 85 | Confident | 69 Ų | 69 | 34.9 Ų | 34.9 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -58.2 | -28.6 | -173.5 | 56.1 | 0 | 0 | 0 | 0 | 115 | C1039 Y1040 I1092 | S1037-C1039 PolarHBondContact O-N 3.49Å; S1037-Y1040 WeakPolarHBondContact O-CD2 3.39Å; S1037-Y1040 PolarHBondContact O-N 2.78Å; S1037-I1092 WeakPolarHBondContact O-CD1 3.4Å |
| 1038 | N | 79.3 | Confident | 85.1 | Confident | 72 Ų | 72 | 35 Ų | 35 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -67.2 | -13.4 | 175.2 | 70.7 | -6.1 | 0 | 0 | 0 | 114.5 | P1036 I1092 | P1036-N1038 PolarHBondContact O-N 3.47Å; P1036-N1038 VanDerWaalsContact O-N 3.07Å; N1038-I1092 HydrophobicContact CB-CD1 4.36Å |
| 1039 | C | 85.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -85.3 | -24.3 | 179.8 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | W998 L999 I1002 L1035 P1036 S1037 L1041 A1042 C1043 | W998-C1039 WeakPolarHBondContact CB-SG 3.47Å; L999-C1039 PolarHBondContact N-SG 3.13Å; I1002-C1039 HydrophobicContact CD1-CB 3.75Å; L1035-C1039 HydrophobicContact CB-CB 4.3Å; L1035-C1039 HydrophobicContact CD2-CB 4.41Å; P1036-C1039 VanDerWaalsContact O-CB 3.24Å; P1036-C1039 WeakPolarHBondContact O-CB 3.23Å; P1036-C1039 PolarHBondContact O-N 3.1Å; S1037-C1039 PolarHBondContact O-N 3.49Å; C1039-L1041 PolarHBondContact O-N 3.36Å; C1039-A1042 WeakPolarHBondContact O-CB 3.39Å; C1039-A1042 PolarHBondContact O-N 3.27Å; C1039-A1042 VanDerWaalsContact O-N 3.1Å; C1039-C1043 PolarHBondContact O-N 3.17Å |
| 1040 | Y | 86.6 | Confident | 85.6 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | -170.9 | -62.6 | -25.9 | 0 | 0 | 0 | 113.5 | L1035 S1037 A1042 C1043 V1044 F1073 F1074 L1097 | L1035-Y1040 HydrophobicContact CB-CD1 4.44Å; L1035-Y1040 HydrophobicContact CB-CE1 3.88Å; L1035-Y1040 PolarHBondContact O-OH 2.83Å; S1037-Y1040 WeakPolarHBondContact O-CD2 3.39Å; S1037-Y1040 PolarHBondContact O-N 2.78Å; Y1040-A1042 VanDerWaalsContact C-N 3.3Å; Y1040-A1042 PolarHBondContact O-N 3.48Å; Y1040-C1043 WeakPolarHBondContact O-CB 3.3Å; Y1040-C1043 PolarHBondContact O-N 3.46Å; Y1040-V1044 WeakPolarHBondContact O-CG2 3.28Å; Y1040-V1044 PolarHBondContact O-N 2.93Å; Y1040-F1073 HydrophobicContact CD1-CE1 4.49Å; Y1040-F1073 HydrophobicContact CE1-CD1 4.41Å; Y1040-F1073 AromaticContact CE1-CE1 3.62Å; Y1040-F1073 HydrophobicContact CE1-CE1 3.62Å; Y1040-F1073 HydrophobicContact CE2-CE1 4.47Å; Y1040-F1073 AromaticContact CZ-CE1 3.63Å; Y1040-F1073 WeakPolarHBondContact OH-CE1 3.39Å; Y1040-F1074 AromaticContact CD1-CE1 3.9Å; Y1040-F1074 HydrophobicContact CD1-CE1 3.9Å; Y1040-F1074 HydrophobicContact CD2-CD1 4.34Å; Y1040-F1074 HydrophobicContact CD2-CE1 4.04Å; Y1040-F1074 HydrophobicContact CG-CD1 4.31Å; Y1040-F1074 AromaticContact CG-CE1 3.57Å; Y1040-F1074 HydrophobicContact CG-CE1 3.57Å; Y1040-F1074 HydrophobicContact CG-CZ 4.28Å; Y1040-L1097 HydrophobicContact CD2-CD1 3.96Å; Y1040-L1097 HydrophobicContact CG-CD1 4.44Å |
| 1041 | L | 87.5 | Confident | 85.8 | Confident | 58 Ų | 58 | 29.3 Ų | 29.3 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.6 | -177.6 | 59.7 | 0 | 0 | 0 | 111.5 | C1039 V1044 E1045 L1097 S1100 | C1039-L1041 PolarHBondContact O-N 3.36Å; L1041-V1044 PolarHBondContact O-N 3.32Å; L1041-E1045 WeakPolarHBondContact O-CG 3.24Å; L1041-E1045 PolarHBondContact O-N 2.74Å; L1041-L1097 HydrophobicContact CB-CD2 3.82Å; L1041-L1097 HydrophobicContact CD1-CD2 4.47Å; L1041-S1100 WeakPolarHBondContact CD1-OG 3.43Å |
| 1042 | A | 85.9 | Confident | 86 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L999 I1002 C1039 Y1040 V1044 E1045 T1046 | L999-A1042 HydrophobicContact CD1-CB 3.49Å; L999-A1042 VanDerWaalsContact CD1-CB 3.49Å; I1002-A1042 HydrophobicContact CG2-CB 3.81Å; C1039-A1042 WeakPolarHBondContact O-CB 3.39Å; C1039-A1042 PolarHBondContact O-N 3.27Å; C1039-A1042 VanDerWaalsContact O-N 3.1Å; Y1040-A1042 VanDerWaalsContact C-N 3.3Å; Y1040-A1042 PolarHBondContact O-N 3.48Å; A1042-V1044 VanDerWaalsContact C-N 3.32Å; A1042-V1044 PolarHBondContact O-N 3.42Å; A1042-E1045 PolarHBondContact O-N 2.69Å; A1042-T1046 WeakPolarHBondContact O-CB 3.39Å; A1042-T1046 VanDerWaalsContact O-CG2 3.26Å; A1042-T1046 WeakPolarHBondContact O-CG2 3.31Å; A1042-T1046 PolarHBondContact O-N 3.31Å; A1042-T1046 PolarHBondContact O-OG1 3.37Å |
| 1043 | C | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -42 | 171.2 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | I1002 F1024 C1039 Y1040 T1046 A1047 L1070 | I1002-C1043 VanDerWaalsContact CD1-SG 3.55Å; F1024-C1043 WeakPolarHBondContact CZ-O 3.45Å; C1039-C1043 PolarHBondContact O-N 3.17Å; Y1040-C1043 WeakPolarHBondContact O-CB 3.3Å; Y1040-C1043 PolarHBondContact O-N 3.46Å; C1043-T1046 WeakPolarHBondContact CA-OG1 3.36Å; C1043-T1046 PolarHBondContact O-OG1 3.49Å; C1043-A1047 VanDerWaalsContact O-CB 3.3Å; C1043-A1047 WeakPolarHBondContact O-CB 3.46Å; C1043-A1047 PolarHBondContact O-N 2.88Å; C1043-L1070 HydrophobicContact CB-CD1 3.84Å; C1043-L1070 HydrophobicContact CB-CD2 3.78Å; C1043-L1070 HydrophobicContact CB-CG 4.5Å |
| 1044 | V | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -46.6 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | Y1040 L1041 A1042 T1046 A1048 L1067 L1070 F1074 V1101 K1104 | Y1040-V1044 WeakPolarHBondContact O-CG2 3.28Å; Y1040-V1044 PolarHBondContact O-N 2.93Å; L1041-V1044 PolarHBondContact O-N 3.32Å; A1042-V1044 VanDerWaalsContact C-N 3.32Å; A1042-V1044 PolarHBondContact O-N 3.42Å; V1044-T1046 PolarHBondContact O-N 3.46Å; V1044-A1048 WeakPolarHBondContact O-CB 3.45Å; V1044-A1048 PolarHBondContact O-N 3.42Å; V1044-L1067 HydrophobicContact CG1-CD2 4.01Å; V1044-L1070 HydrophobicContact CG2-CD1 4.12Å; V1044-F1074 HydrophobicContact CG2-CE2 3.73Å; V1044-F1074 HydrophobicContact CG2-CZ 3.85Å; V1044-V1101 HydrophobicContact CB-CG2 4.35Å; V1044-V1101 HydrophobicContact CG1-CB 4.46Å; V1044-V1101 HydrophobicContact CG1-CG2 3.82Å; V1044-V1101 HydrophobicContact CG2-CG2 3.51Å; V1044-K1104 HydrophobicContact CG1-CG 4.05Å |
| 1045 | E | 89.1 | Confident | 86.6 | Confident | 93 Ų | 93 | 34.6 Ų | 34.6 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 177.1 | -72 | -177.9 | 153.6 | 0 | 0 | 112.8 | L1041 A1042 A1048 S1049 | L1041-E1045 WeakPolarHBondContact O-CG 3.24Å; L1041-E1045 PolarHBondContact O-N 2.74Å; A1042-E1045 PolarHBondContact O-N 2.69Å; E1045-A1048 PolarHBondContact O-N 2.89Å; E1045-S1049 PolarHBondContact O-N 3.18Å; E1045-S1049 PolarHBondContact O-OG 2.8Å; E1045-S1049 VanDerWaalsContact O-OG 3.13Å |
| 1046 | T | 89.8 | Confident | 86.9 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.8 | -40.7 | -179.5 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | I1002 F1024 A1042 C1043 V1044 A1048 S1049 F1050 | I1002-T1046 HydrophobicContact CG2-CG2 3.83Å; F1024-T1046 WeakPolarHBondContact CE2-OG1 3.46Å; A1042-T1046 WeakPolarHBondContact O-CB 3.39Å; A1042-T1046 VanDerWaalsContact O-CG2 3.26Å; A1042-T1046 WeakPolarHBondContact O-CG2 3.31Å; A1042-T1046 PolarHBondContact O-N 3.31Å; A1042-T1046 PolarHBondContact O-OG1 3.37Å; C1043-T1046 WeakPolarHBondContact CA-OG1 3.36Å; C1043-T1046 PolarHBondContact O-OG1 3.49Å; V1044-T1046 PolarHBondContact O-N 3.46Å; T1046-A1048 VanDerWaalsContact C-N 3.3Å; T1046-A1048 PolarHBondContact O-N 3.46Å; T1046-S1049 WeakPolarHBondContact O-CB 3.25Å; T1046-S1049 PolarHBondContact O-N 3.24Å; T1046-F1050 WeakPolarHBondContact O-CD2 3.35Å; T1046-F1050 PolarHBondContact O-N 3Å |
| 1047 | A | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1024 C1043 S1049 F1050 G1051 A1063 L1067 L1070 | F1024-A1047 HydrophobicContact CE1-CB 3.67Å; F1024-A1047 HydrophobicContact CZ-CB 3.67Å; C1043-A1047 VanDerWaalsContact O-CB 3.3Å; C1043-A1047 WeakPolarHBondContact O-CB 3.46Å; C1043-A1047 PolarHBondContact O-N 2.88Å; A1047-S1049 VanDerWaalsContact C-N 3.35Å; A1047-S1049 PolarHBondContact O-N 3.26Å; A1047-F1050 PolarHBondContact O-N 3.38Å; A1047-G1051 PolarHBondContact O-N 3.38Å; A1047-A1063 WeakPolarHBondContact O-CB 3.17Å; A1047-L1067 HydrophobicContact CB-CD2 3.67Å; A1047-L1067 HydrophobicContact CB-CG 3.75Å; A1047-L1070 HydrophobicContact CB-CD1 4.29Å |
| 1048 | A | 90.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1044 E1045 T1046 G1051 H1052 K1104 | V1044-A1048 WeakPolarHBondContact O-CB 3.45Å; V1044-A1048 PolarHBondContact O-N 3.42Å; E1045-A1048 PolarHBondContact O-N 2.89Å; T1046-A1048 VanDerWaalsContact C-N 3.3Å; T1046-A1048 PolarHBondContact O-N 3.46Å; A1048-G1051 WeakPolarHBondContact O-CA 3.35Å; A1048-G1051 PolarHBondContact O-N 3.07Å; A1048-G1051 VanDerWaalsContact O-N 3.17Å; A1048-H1052 PolarHBondContact O-N 3.33Å; A1048-H1052 PolarHBondContact O-ND1 2.88Å; A1048-K1104 HydrophobicContact CB-CB 3.74Å; A1048-K1104 HydrophobicContact CB-CD 3.89Å; A1048-K1104 HydrophobicContact CB-CG 3.75Å |
| 1049 | S | 89.1 | Confident | 88.5 | Confident | 52 Ų | 52 | 36 Ų | 36 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 174 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | E1045 T1046 A1047 G1051 H1052 Q1053 | E1045-S1049 PolarHBondContact O-N 3.18Å; E1045-S1049 PolarHBondContact O-OG 2.8Å; E1045-S1049 VanDerWaalsContact O-OG 3.13Å; T1046-S1049 WeakPolarHBondContact O-CB 3.25Å; T1046-S1049 PolarHBondContact O-N 3.24Å; A1047-S1049 VanDerWaalsContact C-N 3.35Å; A1047-S1049 PolarHBondContact O-N 3.26Å; S1049-G1051 VanDerWaalsContact C-N 3.33Å; S1049-H1052 PolarHBondContact O-N 3.46Å; S1049-Q1053 PolarHBondContact O-N 3.31Å; S1049-Q1053 VanDerWaalsContact O-N 3.07Å |
| 1050 | F | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.3 | -26 | 172.1 | -74.4 | -69.4 | 0 | 0 | 0 | 113.6 | I1005 I1008 F1021 F1024 T1046 A1047 Q1053 I1059 A1060 A1063 | I1005-F1050 HydrophobicContact CG2-CE2 3.93Å; I1005-F1050 HydrophobicContact CG2-CZ 3.92Å; I1008-F1050 HydrophobicContact CD1-CB 4.49Å; I1008-F1050 HydrophobicContact CD1-CD1 3.42Å; I1008-F1050 VanDerWaalsContact CD1-CD1 3.42Å; I1008-F1050 HydrophobicContact CD1-CD2 4.27Å; I1008-F1050 HydrophobicContact CD1-CE1 3.56Å; I1008-F1050 HydrophobicContact CD1-CE2 4.36Å; I1008-F1050 HydrophobicContact CD1-CG 3.79Å; I1008-F1050 HydrophobicContact CD1-CZ 4.03Å; I1008-F1050 HydrophobicContact CG1-CE1 4.24Å; F1021-F1050 HydrophobicContact CB-CD1 3.89Å; F1021-F1050 HydrophobicContact CB-CE1 3.72Å; F1021-F1050 HydrophobicContact CB-CZ 4.33Å; F1021-F1050 HydrophobicContact CD2-CB 3.91Å; F1021-F1050 AromaticContact CD2-CD1 3.68Å; F1021-F1050 HydrophobicContact CD2-CD1 3.68Å; F1021-F1050 AromaticContact CD2-CD2 3.97Å; F1021-F1050 HydrophobicContact CD2-CD2 3.97Å; F1021-F1050 HydrophobicContact CD2-CE1 4.15Å; F1021-F1050 HydrophobicContact CD2-CE2 4.42Å; F1021-F1050 AromaticContact CD2-CG 3.6Å; F1021-F1050 HydrophobicContact CD2-CG 3.6Å; F1021-F1050 HydrophobicContact CD2-CZ 4.5Å; F1021-F1050 HydrophobicContact CE2-CB 4.18Å; F1021-F1050 HydrophobicContact CE2-CG 4.28Å; F1021-F1050 HydrophobicContact CG-CD1 4.21Å; F1021-F1050 HydrophobicContact CG-CE1 4.44Å; F1024-F1050 HydrophobicContact CB-CD2 4.14Å; F1024-F1050 HydrophobicContact CB-CE2 3.56Å; F1024-F1050 HydrophobicContact CB-CZ 4.14Å; F1024-F1050 AromaticContact CD1-CD2 3.89Å; F1024-F1050 HydrophobicContact CD1-CD2 3.89Å; F1024-F1050 HydrophobicContact CD1-CE2 4.16Å; F1024-F1050 HydrophobicContact CD2-CE2 4.27Å; F1024-F1050 AromaticContact CG-CD2 3.93Å; F1024-F1050 HydrophobicContact CG-CD2 3.93Å; F1024-F1050 AromaticContact CG-CE2 3.71Å; F1024-F1050 HydrophobicContact CG-CE2 3.71Å; T1046-F1050 WeakPolarHBondContact O-CD2 3.35Å; T1046-F1050 PolarHBondContact O-N 3Å; A1047-F1050 PolarHBondContact O-N 3.38Å; F1050-Q1053 WeakPolarHBondContact O-CG 2.94Å; F1050-Q1053 PolarHBondContact O-NE2 2.9Å; F1050-I1059 HydrophobicContact CB-CG2 4.18Å; F1050-I1059 HydrophobicContact CD1-CG2 3.91Å; F1050-I1059 HydrophobicContact CG-CG2 4.46Å; F1050-A1060 WeakPolarHBondContact O-CA 3.43Å; F1050-A1063 HydrophobicContact CB-CB 3.55Å |
| 1051 | G | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1047 A1048 S1049 A1060 L1108 R1113 | A1047-G1051 PolarHBondContact O-N 3.38Å; A1048-G1051 WeakPolarHBondContact O-CA 3.35Å; A1048-G1051 PolarHBondContact O-N 3.07Å; A1048-G1051 VanDerWaalsContact O-N 3.17Å; S1049-G1051 VanDerWaalsContact C-N 3.33Å; G1051-A1060 VanDerWaalsContact O-CB 3.24Å; G1051-A1060 WeakPolarHBondContact O-CB 3.4Å; G1051-L1108 VanDerWaalsContact C-CD2 3.49Å; G1051-R1113 PolarHBondContact O-NH2 3.3Å |
| 1052 | H | 89.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 37.5 Ų | 37.5 | 36% | 0.361 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -79.9 | -16.8 | -174.5 | -74.7 | 95.5 | 0 | 0 | 0 | 115.6 | A1048 S1049 L1108 | A1048-H1052 PolarHBondContact O-N 3.33Å; A1048-H1052 PolarHBondContact O-ND1 2.88Å; S1049-H1052 PolarHBondContact O-N 3.46Å; H1052-L1108 VanDerWaalsContact CE1-CD2 3.45Å; H1052-L1108 WeakPolarHBondContact CE1-CD2 3.33Å; H1052-L1108 WeakPolarHBondContact ND1-CD2 3.33Å |
| 1053 | Q | 89.1 | Confident | 89.7 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | trans | -61 | 142.8 | 177.6 | 62.8 | 65.2 | 40.1 | 0 | 0 | 111.4 | I1008 I1017 S1049 F1050 D1056 I1059 R1113 | I1008-Q1053 HydrophobicContact CG2-CB 4.09Å; I1017-Q1053 HydrophobicContact CG2-CB 4.48Å; I1017-Q1053 HydrophobicContact CG2-CG 3.84Å; S1049-Q1053 PolarHBondContact O-N 3.31Å; S1049-Q1053 VanDerWaalsContact O-N 3.07Å; F1050-Q1053 WeakPolarHBondContact O-CG 2.94Å; F1050-Q1053 PolarHBondContact O-NE2 2.9Å; Q1053-D1056 PolarHBondContact NE2-O 3.21Å; Q1053-I1059 HydrophobicContact CG-CG2 4.3Å; Q1053-R1113 VanDerWaalsContact O-CZ 3.23Å; Q1053-R1113 PolarHBondContact O-NH1 2.92Å; Q1053-R1113 PolarHBondContact O-NH2 3.48Å | ||
| 1054 | K | 83.6 | Confident | 89.8 | Confident | 142 Ų | 142 | 37.2 Ų | 37.2 | 62% | 0.617 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -98.9 | -3.9 | -166.1 | -65.1 | 168.4 | -177.3 | 163.5 | 0 | 114.7 | E1010 | E1010-K1054 IonicContact OE1-NZ 2.74Å; E1010-K1054 PolarHBondContact OE1-NZ 3.46Å |
| 1055 | Q | 83.4 | Confident | 89.8 | Confident | 69 Ų | 69 | 39.1 Ų | 39.1 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -95.8 | -41 | -164.4 | -63 | -167.6 | -1.4 | 0 | 0 | 113.7 | E1010 Y1012 I1014 I1017 | E1010-Q1055 PolarHBondContact O-NE2 3.32Å; Y1012-Q1055 PolarHBondContact O-NE2 3.15Å; Y1012-Q1055 PolarHBondContact O-OE1 3.06Å; I1014-Q1055 HydrophobicContact CG1-CB 4.26Å; I1017-Q1055 HydrophobicContact CD1-CB 4.08Å; I1017-Q1055 HydrophobicContact CD1-CG 3.99Å |
| 1056 | D | 86.8 | Confident | 89.9 | Confident | 23 Ų | 23 | 35.1 Ų | 35.1 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | trans | -123.7 | 109.6 | -179.5 | -171.3 | -31.3 | 0 | 0 | 0 | 109.9 | Q1018 Q1053 N1058 I1059 A1060 | Q1018-D1056 PolarHBondContact NE2-OD2 3.2Å; Q1053-D1056 PolarHBondContact NE2-O 3.21Å; D1056-N1058 VanDerWaalsContact C-N 3.27Å; D1056-N1058 PolarHBondContact O-N 3.47Å; D1056-N1058 WeakPolarHBondContact OD1-CB 3.42Å; D1056-N1058 PolarHBondContact OD1-N 3.14Å; D1056-I1059 HydrophobicContact CB-CB 4.27Å; D1056-I1059 HydrophobicContact CB-CD1 3.8Å; D1056-I1059 HydrophobicContact CB-CG1 3.98Å; D1056-I1059 PolarHBondContact O-N 3.49Å; D1056-I1059 PolarHBondContact OD1-N 3.42Å; D1056-A1060 PolarHBondContact O-N 2.89Å | ||
| 1057 | L | 88.7 | Confident | 89.9 | Confident | 72 Ų | 72 | 34.7 Ų | 34.7 | 38% | 0.377 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -33.5 | -178.5 | 179.4 | 61.2 | 0 | 0 | 0 | 112.5 | I1059 A1060 L1061 A1115 V1116 | L1057-I1059 VanDerWaalsContact C-N 3.33Å; L1057-I1059 PolarHBondContact O-N 2.99Å; L1057-A1060 PolarHBondContact O-N 3.26Å; L1057-L1061 HydrophobicContact CD1-CD1 4.46Å; L1057-L1061 HydrophobicContact CD1-CG 4.32Å; L1057-L1061 HydrophobicContact CG-CD1 4.13Å; L1057-L1061 HydrophobicContact CG-CG 4.42Å; L1057-L1061 WeakPolarHBondContact O-CG 3.34Å; L1057-L1061 PolarHBondContact O-N 3.15Å; L1057-L1061 VanDerWaalsContact O-N 3.1Å; L1057-A1115 HydrophobicContact CD1-CB 4.21Å; L1057-A1115 HydrophobicContact CD2-CB 4.14Å; L1057-V1116 HydrophobicContact CD1-CG2 3.5Å; L1057-V1116 VanDerWaalsContact CD1-CG2 3.5Å |
| 1058 | N | 89.7 | Confident | 89.8 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 61% | 0.61 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -70.7 | -33.1 | -175.2 | -62 | -40.7 | 0 | 0 | 0 | 111.6 | D1056 S1062 | D1056-N1058 VanDerWaalsContact C-N 3.27Å; D1056-N1058 PolarHBondContact O-N 3.47Å; D1056-N1058 WeakPolarHBondContact OD1-CB 3.42Å; D1056-N1058 PolarHBondContact OD1-N 3.14Å; N1058-S1062 VanDerWaalsContact O-CB 3.29Å; N1058-S1062 WeakPolarHBondContact O-CB 3.33Å; N1058-S1062 PolarHBondContact O-N 3.45Å; N1058-S1062 PolarHBondContact O-OG 3.38Å |
| 1059 | I | 91.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 171 | -67.5 | 179.5 | 0 | 0 | 0 | 110.5 | I1017 Q1018 F1021 F1050 Q1053 D1056 L1057 L1061 S1062 A1063 | I1017-I1059 HydrophobicContact CB-CD1 4.46Å; I1017-I1059 HydrophobicContact CG2-CD1 3.8Å; Q1018-I1059 HydrophobicContact CB-CD1 4.35Å; Q1018-I1059 HydrophobicContact CG-CD1 3.79Å; F1021-I1059 HydrophobicContact CB-CD1 4.05Å; F1021-I1059 HydrophobicContact CB-CG1 4.24Å; F1021-I1059 HydrophobicContact CB-CG2 3.87Å; F1021-I1059 HydrophobicContact CD1-CB 4.26Å; F1021-I1059 HydrophobicContact CD1-CG1 3.93Å; F1021-I1059 HydrophobicContact CD1-CG2 3.96Å; F1021-I1059 HydrophobicContact CD2-CG2 3.74Å; F1021-I1059 HydrophobicContact CE1-CG2 4.49Å; F1021-I1059 HydrophobicContact CE2-CG2 4.3Å; F1021-I1059 HydrophobicContact CG-CB 4.33Å; F1021-I1059 HydrophobicContact CG-CG1 4.18Å; F1021-I1059 HydrophobicContact CG-CG2 3.55Å; F1050-I1059 HydrophobicContact CB-CG2 4.18Å; F1050-I1059 HydrophobicContact CD1-CG2 3.91Å; F1050-I1059 HydrophobicContact CG-CG2 4.46Å; Q1053-I1059 HydrophobicContact CG-CG2 4.3Å; D1056-I1059 HydrophobicContact CB-CB 4.27Å; D1056-I1059 HydrophobicContact CB-CD1 3.8Å; D1056-I1059 HydrophobicContact CB-CG1 3.98Å; D1056-I1059 PolarHBondContact O-N 3.49Å; D1056-I1059 PolarHBondContact OD1-N 3.42Å; L1057-I1059 VanDerWaalsContact C-N 3.33Å; L1057-I1059 PolarHBondContact O-N 2.99Å; I1059-L1061 PolarHBondContact O-N 3.19Å; I1059-S1062 PolarHBondContact O-N 3.41Å; I1059-A1063 WeakPolarHBondContact O-CB 3.31Å; I1059-A1063 PolarHBondContact O-N 2.86Å |
| 1060 | A | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1050 G1051 D1056 L1057 A1063 I1064 V1116 | F1050-A1060 WeakPolarHBondContact O-CA 3.43Å; G1051-A1060 VanDerWaalsContact O-CB 3.24Å; G1051-A1060 WeakPolarHBondContact O-CB 3.4Å; D1056-A1060 PolarHBondContact O-N 2.89Å; L1057-A1060 PolarHBondContact O-N 3.26Å; A1060-A1063 PolarHBondContact O-N 3.28Å; A1060-I1064 WeakPolarHBondContact O-CG1 3.47Å; A1060-I1064 PolarHBondContact O-N 3.28Å; A1060-V1116 HydrophobicContact CB-CG2 3.91Å |
| 1061 | L | 92.4 | Very high | 89.4 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66 | -41.7 | 175.8 | -63.2 | 175 | 0 | 0 | 0 | 112 | L1057 I1059 A1063 I1064 G1065 A1115 | L1057-L1061 HydrophobicContact CD1-CD1 4.46Å; L1057-L1061 HydrophobicContact CD1-CG 4.32Å; L1057-L1061 HydrophobicContact CG-CD1 4.13Å; L1057-L1061 HydrophobicContact CG-CG 4.42Å; L1057-L1061 WeakPolarHBondContact O-CG 3.34Å; L1057-L1061 PolarHBondContact O-N 3.15Å; L1057-L1061 VanDerWaalsContact O-N 3.1Å; I1059-L1061 PolarHBondContact O-N 3.19Å; L1061-A1063 VanDerWaalsContact C-N 3.32Å; L1061-A1063 PolarHBondContact O-N 2.73Å; L1061-I1064 PolarHBondContact O-N 2.76Å; L1061-G1065 PolarHBondContact O-N 3.24Å; L1061-A1115 HydrophobicContact CD2-CB 4.34Å; L1061-A1115 WeakPolarHBondContact CD2-O 3.5Å |
| 1062 | S | 92.5 | Very high | 89.2 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 38% | 0.378 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -36.1 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | F1021 N1058 I1059 G1065 S1066 | F1021-S1062 VanDerWaalsContact CE1-CB 3.44Å; N1058-S1062 VanDerWaalsContact O-CB 3.29Å; N1058-S1062 WeakPolarHBondContact O-CB 3.33Å; N1058-S1062 PolarHBondContact O-N 3.45Å; N1058-S1062 PolarHBondContact O-OG 3.38Å; I1059-S1062 PolarHBondContact O-N 3.41Å; S1062-G1065 WeakPolarHBondContact O-CA 3.49Å; S1062-G1065 PolarHBondContact O-N 3.34Å; S1062-G1065 VanDerWaalsContact O-N 3.17Å; S1062-S1066 PolarHBondContact O-N 3.16Å; S1062-S1066 PolarHBondContact O-OG 2.97Å |
| 1063 | A | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70 | -31.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | F1021 A1047 F1050 I1059 A1060 L1061 G1065 S1066 L1067 | F1021-A1063 HydrophobicContact CE2-CB 3.83Å; F1021-A1063 HydrophobicContact CZ-CB 4.36Å; A1047-A1063 WeakPolarHBondContact O-CB 3.17Å; F1050-A1063 HydrophobicContact CB-CB 3.55Å; I1059-A1063 WeakPolarHBondContact O-CB 3.31Å; I1059-A1063 PolarHBondContact O-N 2.86Å; A1060-A1063 PolarHBondContact O-N 3.28Å; L1061-A1063 VanDerWaalsContact C-N 3.32Å; L1061-A1063 PolarHBondContact O-N 2.73Å; A1063-G1065 VanDerWaalsContact C-N 3.32Å; A1063-S1066 WeakPolarHBondContact O-CB 3.17Å; A1063-S1066 PolarHBondContact O-N 3.42Å; A1063-L1067 PolarHBondContact O-N 2.94Å |
| 1064 | I | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 168.1 | -69.7 | 163.3 | 0 | 0 | 0 | 110.4 | A1060 L1061 S1066 L1067 L1068 L1105 L1108 V1116 A1120 T1123 | A1060-I1064 WeakPolarHBondContact O-CG1 3.47Å; A1060-I1064 PolarHBondContact O-N 3.28Å; L1061-I1064 PolarHBondContact O-N 2.76Å; I1064-S1066 VanDerWaalsContact C-N 3.29Å; I1064-S1066 PolarHBondContact O-N 3.42Å; I1064-L1067 WeakPolarHBondContact O-CB 3.47Å; I1064-L1067 PolarHBondContact O-N 3Å; I1064-L1067 VanDerWaalsContact O-N 3.16Å; I1064-L1068 PolarHBondContact O-N 3.17Å; I1064-L1068 VanDerWaalsContact O-N 3.16Å; I1064-L1105 HydrophobicContact CG2-CD2 4.31Å; I1064-L1108 HydrophobicContact CG1-CD1 3.98Å; I1064-V1116 HydrophobicContact CD1-CG1 3.8Å; I1064-V1116 WeakPolarHBondContact CD1-O 3.35Å; I1064-A1120 HydrophobicContact CD1-CB 3.97Å; I1064-T1123 HydrophobicContact CG2-CG2 4.09Å; I1064-T1123 VanDerWaalsContact CG2-OG1 3.28Å; I1064-T1123 WeakPolarHBondContact CG2-OG1 3.45Å |
| 1065 | G | 90.9 | Very high | 88.3 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 40% | 0.402 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.2 | -36.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1061 S1062 A1063 L1068 H1069 | L1061-G1065 PolarHBondContact O-N 3.24Å; S1062-G1065 WeakPolarHBondContact O-CA 3.49Å; S1062-G1065 PolarHBondContact O-N 3.34Å; S1062-G1065 VanDerWaalsContact O-N 3.17Å; A1063-G1065 VanDerWaalsContact C-N 3.32Å; G1065-L1068 WeakPolarHBondContact O-CB 3.38Å; G1065-L1068 PolarHBondContact O-N 3.16Å; G1065-H1069 PolarHBondContact O-N 2.98Å; G1065-H1069 VanDerWaalsContact O-N 3.15Å |
| 1066 | S | 90.6 | Very high | 87.9 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.5 | -36.5 | 172.4 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | S1062 A1063 I1064 L1068 H1069 L1070 | S1062-S1066 PolarHBondContact O-N 3.16Å; S1062-S1066 PolarHBondContact O-OG 2.97Å; A1063-S1066 WeakPolarHBondContact O-CB 3.17Å; A1063-S1066 PolarHBondContact O-N 3.42Å; I1064-S1066 VanDerWaalsContact C-N 3.29Å; I1064-S1066 PolarHBondContact O-N 3.42Å; S1066-L1068 VanDerWaalsContact C-N 3.34Å; S1066-H1069 PolarHBondContact O-N 3.47Å; S1066-L1070 VanDerWaalsContact O-CG 3.31Å; S1066-L1070 WeakPolarHBondContact O-CG 3.36Å; S1066-L1070 PolarHBondContact O-N 2.73Å |
| 1067 | L | 90.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 174.2 | -76.2 | 170.4 | 0 | 0 | 0 | 112.3 | V1044 A1047 A1063 I1064 A1071 L1105 L1108 | V1044-L1067 HydrophobicContact CG1-CD2 4.01Å; A1047-L1067 HydrophobicContact CB-CD2 3.67Å; A1047-L1067 HydrophobicContact CB-CG 3.75Å; A1063-L1067 PolarHBondContact O-N 2.94Å; I1064-L1067 WeakPolarHBondContact O-CB 3.47Å; I1064-L1067 PolarHBondContact O-N 3Å; I1064-L1067 VanDerWaalsContact O-N 3.16Å; L1067-A1071 PolarHBondContact O-N 3.39Å; L1067-A1071 VanDerWaalsContact O-N 3.15Å; L1067-L1105 HydrophobicContact CB-CD2 3.98Å; L1067-L1105 HydrophobicContact CB-CG 4.39Å; L1067-L1105 HydrophobicContact CD1-CD2 3.7Å; L1067-L1105 HydrophobicContact CD1-CG 4.13Å; L1067-L1105 HydrophobicContact CG-CD2 4.49Å; L1067-L1108 HydrophobicContact CD1-CD1 3.66Å |
| 1068 | L | 89.3 | Confident | 85.6 | Confident | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.277 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 172.6 | -179.1 | 57.5 | 0 | 0 | 0 | 111 | I1064 G1065 S1066 L1070 A1071 D1072 T1123 T1127 | I1064-L1068 PolarHBondContact O-N 3.17Å; I1064-L1068 VanDerWaalsContact O-N 3.16Å; G1065-L1068 WeakPolarHBondContact O-CB 3.38Å; G1065-L1068 PolarHBondContact O-N 3.16Å; S1066-L1068 VanDerWaalsContact C-N 3.34Å; L1068-L1070 VanDerWaalsContact C-N 3.3Å; L1068-L1070 PolarHBondContact O-N 3.18Å; L1068-A1071 WeakPolarHBondContact O-CB 3.22Å; L1068-A1071 PolarHBondContact O-N 3.03Å; L1068-D1072 PolarHBondContact O-N 2.92Å; L1068-T1123 HydrophobicContact CB-CG2 3.79Å; L1068-T1123 HydrophobicContact CD1-CG2 4.31Å; L1068-T1123 HydrophobicContact CG-CG2 4.46Å; L1068-T1127 VanDerWaalsContact CD1-OG1 3.22Å; L1068-T1127 WeakPolarHBondContact CD1-OG1 3.41Å |
| 1069 | H | 87.6 | Confident | 83.9 | Confident | 84 Ų | 84 | 39.9 Ų | 39.9 | 39% | 0.389 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.8 | -36.3 | -178.7 | -167.7 | 53.6 | 0 | 0 | 0 | 113.1 | V1028 G1065 S1066 F1073 | V1028-H1069 HydrophobicContact CG1-CB 4.41Å; V1028-H1069 PolarHBondContact O-CD2 2.9Å; V1028-H1069 VanDerWaalsContact O-CD2 3.27Å; V1028-H1069 PolarHBondContact O-NE2 2.99Å; G1065-H1069 PolarHBondContact O-N 2.98Å; G1065-H1069 VanDerWaalsContact O-N 3.15Å; S1066-H1069 PolarHBondContact O-N 3.47Å; H1069-F1073 WeakPolarHBondContact O-CB 3.3Å; H1069-F1073 PolarHBondContact O-N 2.59Å |
| 1070 | L | 88.5 | Confident | 82 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 172.5 | -71.6 | 171.1 | 0 | 0 | 0 | 112 | L1032 C1043 V1044 A1047 S1066 L1068 F1073 F1074 | L1032-L1070 HydrophobicContact CD1-CD2 3.6Å; L1032-L1070 HydrophobicContact CD2-CD2 4.07Å; C1043-L1070 HydrophobicContact CB-CD1 3.84Å; C1043-L1070 HydrophobicContact CB-CD2 3.78Å; C1043-L1070 HydrophobicContact CB-CG 4.5Å; V1044-L1070 HydrophobicContact CG2-CD1 4.12Å; A1047-L1070 HydrophobicContact CB-CD1 4.29Å; S1066-L1070 VanDerWaalsContact O-CG 3.31Å; S1066-L1070 WeakPolarHBondContact O-CG 3.36Å; S1066-L1070 PolarHBondContact O-N 2.73Å; L1068-L1070 VanDerWaalsContact C-N 3.3Å; L1068-L1070 PolarHBondContact O-N 3.18Å; L1070-F1073 PolarHBondContact O-N 3.02Å; L1070-F1074 HydrophobicContact CB-CE2 4.22Å; L1070-F1074 HydrophobicContact CB-CZ 4.03Å; L1070-F1074 HydrophobicContact CD2-CZ 4.41Å; L1070-F1074 VanDerWaalsContact O-CD1 3.29Å; L1070-F1074 WeakPolarHBondContact O-CD1 3.3Å; L1070-F1074 VanDerWaalsContact O-CD2 3.27Å; L1070-F1074 WeakPolarHBondContact O-CD2 3.48Å; L1070-F1074 WeakPolarHBondContact O-CG 3.49Å; L1070-F1074 PolarHBondContact O-N 2.93Å |
| 1071 | A | 86.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1067 L1068 F1073 F1074 M1075 V1101 T1127 | L1067-A1071 PolarHBondContact O-N 3.39Å; L1067-A1071 VanDerWaalsContact O-N 3.15Å; L1068-A1071 WeakPolarHBondContact O-CB 3.22Å; L1068-A1071 PolarHBondContact O-N 3.03Å; A1071-F1073 PolarHBondContact O-N 2.96Å; A1071-F1074 PolarHBondContact O-N 3.32Å; A1071-F1074 VanDerWaalsContact O-N 3.16Å; A1071-M1075 PolarHBondContact O-N 2.91Å; A1071-M1075 VanDerWaalsContact O-N 3.17Å; A1071-V1101 HydrophobicContact CB-CG1 4.19Å; A1071-T1127 HydrophobicContact CB-CG2 3.44Å; A1071-T1127 VanDerWaalsContact CB-CG2 3.44Å |
| 1072 | D | 86.5 | Confident | 76.9 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 175.4 | -67.3 | -34.4 | 0 | 0 | 0 | 111.5 | L1068 M1075 E1076 H1131 | L1068-D1072 PolarHBondContact O-N 2.92Å; D1072-M1075 WeakPolarHBondContact O-CB 3.48Å; D1072-M1075 PolarHBondContact O-N 2.83Å; D1072-E1076 PolarHBondContact O-N 3.38Å; D1072-H1131 PolarHBondContact N-CE1 3.31Å; D1072-H1131 IonicContact OD1-CE1 3.91Å; D1072-H1131 PolarHBondContact OD1-CE1 3.48Å; D1072-H1131 VanDerWaalsContact OD1-CE1 3.24Å; D1072-H1131 IonicContact OD1-NE2 3.9Å; D1072-H1131 PolarHBondContact OD1-NE2 3.09Å |
| 1073 | F | 85 | Confident | 74.6 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 175.7 | 179 | -101.6 | 0 | 0 | 0 | 113.2 | L1032 Y1040 H1069 L1070 A1071 M1075 E1076 Q1077 | L1032-F1073 HydrophobicContact CD1-CD1 3.68Å; L1032-F1073 HydrophobicContact CD1-CE1 3.92Å; L1032-F1073 HydrophobicContact CD1-CG 4.15Å; L1032-F1073 HydrophobicContact CD2-CB 3.66Å; L1032-F1073 HydrophobicContact CD2-CD1 4.12Å; L1032-F1073 HydrophobicContact CD2-CD2 4.25Å; L1032-F1073 HydrophobicContact CD2-CG 3.74Å; L1032-F1073 HydrophobicContact CG-CB 4.16Å; L1032-F1073 HydrophobicContact CG-CD1 3.71Å; L1032-F1073 HydrophobicContact CG-CD2 3.98Å; L1032-F1073 HydrophobicContact CG-CE1 4.04Å; L1032-F1073 HydrophobicContact CG-CE2 4.29Å; L1032-F1073 HydrophobicContact CG-CG 3.66Å; L1032-F1073 HydrophobicContact CG-CZ 4.31Å; L1032-F1073 WeakPolarHBondContact O-CZ 3.27Å; Y1040-F1073 HydrophobicContact CD1-CE1 4.49Å; Y1040-F1073 HydrophobicContact CE1-CD1 4.41Å; Y1040-F1073 AromaticContact CE1-CE1 3.62Å; Y1040-F1073 HydrophobicContact CE1-CE1 3.62Å; Y1040-F1073 HydrophobicContact CE2-CE1 4.47Å; Y1040-F1073 AromaticContact CZ-CE1 3.63Å; Y1040-F1073 WeakPolarHBondContact OH-CE1 3.39Å; H1069-F1073 WeakPolarHBondContact O-CB 3.3Å; H1069-F1073 PolarHBondContact O-N 2.59Å; L1070-F1073 PolarHBondContact O-N 3.02Å; A1071-F1073 PolarHBondContact O-N 2.96Å; F1073-M1075 PolarHBondContact O-N 3.5Å; F1073-E1076 PolarHBondContact O-N 2.94Å; F1073-Q1077 HydrophobicContact CD1-CG 4.43Å; F1073-Q1077 HydrophobicContact CE1-CG 4Å; F1073-Q1077 HydrophobicContact CZ-CG 4.13Å; F1073-Q1077 WeakPolarHBondContact O-CG 3.4Å; F1073-Q1077 PolarHBondContact O-N 3.14Å |
| 1074 | F | 82.7 | Confident | 71.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66 | -22.5 | 176.2 | -56.1 | -25.6 | 0 | 0 | 0 | 113.1 | Y1040 V1044 L1070 A1071 L1097 V1101 | Y1040-F1074 AromaticContact CD1-CE1 3.9Å; Y1040-F1074 HydrophobicContact CD1-CE1 3.9Å; Y1040-F1074 HydrophobicContact CD2-CD1 4.34Å; Y1040-F1074 HydrophobicContact CD2-CE1 4.04Å; Y1040-F1074 HydrophobicContact CG-CD1 4.31Å; Y1040-F1074 AromaticContact CG-CE1 3.57Å; Y1040-F1074 HydrophobicContact CG-CE1 3.57Å; Y1040-F1074 HydrophobicContact CG-CZ 4.28Å; V1044-F1074 HydrophobicContact CG2-CE2 3.73Å; V1044-F1074 HydrophobicContact CG2-CZ 3.85Å; L1070-F1074 HydrophobicContact CB-CE2 4.22Å; L1070-F1074 HydrophobicContact CB-CZ 4.03Å; L1070-F1074 HydrophobicContact CD2-CZ 4.41Å; L1070-F1074 VanDerWaalsContact O-CD1 3.29Å; L1070-F1074 WeakPolarHBondContact O-CD1 3.3Å; L1070-F1074 VanDerWaalsContact O-CD2 3.27Å; L1070-F1074 WeakPolarHBondContact O-CD2 3.48Å; L1070-F1074 WeakPolarHBondContact O-CG 3.49Å; L1070-F1074 PolarHBondContact O-N 2.93Å; A1071-F1074 PolarHBondContact O-N 3.32Å; A1071-F1074 VanDerWaalsContact O-N 3.16Å; F1074-L1097 HydrophobicContact CD2-CB 4.22Å; F1074-L1097 HydrophobicContact CE2-CB 4.26Å; F1074-V1101 HydrophobicContact CD2-CG2 4.3Å; F1074-V1101 HydrophobicContact CE2-CG2 3.82Å |
| 1075 | M | 74.3 | Confident | 69.2 | Low | 39 Ų | 39 | 69.2 Ų | 69.2 | 19% | 0.192 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.7 | -48.4 | 170.7 | 163 | 65.3 | 76.1 | 0 | 0 | 111.8 | A1071 D1072 F1073 Q1077 K1078 W1098 H1131 Q1134 | A1071-M1075 PolarHBondContact O-N 2.91Å; A1071-M1075 VanDerWaalsContact O-N 3.17Å; D1072-M1075 WeakPolarHBondContact O-CB 3.48Å; D1072-M1075 PolarHBondContact O-N 2.83Å; F1073-M1075 PolarHBondContact O-N 3.5Å; M1075-Q1077 VanDerWaalsContact C-N 3.3Å; M1075-Q1077 PolarHBondContact O-N 3Å; M1075-K1078 PolarHBondContact O-N 3.28Å; M1075-W1098 HydrophobicContact CB-CZ2 4.3Å; M1075-W1098 HydrophobicContact CE-CH2 3.72Å; M1075-W1098 HydrophobicContact CE-CZ2 4.43Å; M1075-H1131 VanDerWaalsContact CE-CA 3.41Å; M1075-H1131 HydrophobicContact CE-CB 3.64Å; M1075-Q1134 HydrophobicContact CE-CG 4.06Å; M1075-Q1134 HydrophobicContact SD-CG 4.18Å; M1075-Q1134 PolarHBondContact SD-NE2 3.28Å |
| 1076 | E | 75.4 | Confident | 66.6 | Low | 133 Ų | 133 | 75.1 Ų | 75.1 | 62% | 0.621 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | -178.6 | -66.9 | -174.7 | 161.3 | 0 | 0 | 112.9 | D1072 F1073 K1078 N1079 | D1072-E1076 PolarHBondContact O-N 3.38Å; F1073-E1076 PolarHBondContact O-N 2.94Å; E1076-K1078 PolarHBondContact O-N 2.91Å; E1076-N1079 PolarHBondContact O-N 3.37Å |
| 1077 | Q | 69.6 | Low | 64.2 | Low | 58 Ų | 58 | 79.3 Ų | 79.3 | 27% | 0.271 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -61.1 | -26.4 | -178.4 | -68.9 | -66.6 | -41.6 | 0 | 0 | 114 | F1073 M1075 N1079 I1080 | F1073-Q1077 HydrophobicContact CD1-CG 4.43Å; F1073-Q1077 HydrophobicContact CE1-CG 4Å; F1073-Q1077 HydrophobicContact CZ-CG 4.13Å; F1073-Q1077 WeakPolarHBondContact O-CG 3.4Å; F1073-Q1077 PolarHBondContact O-N 3.14Å; M1075-Q1077 VanDerWaalsContact C-N 3.3Å; M1075-Q1077 PolarHBondContact O-N 3Å; Q1077-N1079 PolarHBondContact O-N 3.08Å; Q1077-I1080 PolarHBondContact O-N 2.63Å |
| 1078 | K | 58.2 | Low | 61.9 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -71.3 | -16.5 | -175.3 | -153.1 | 178.8 | -170.5 | 176.2 | 0 | 113.7 | M1075 E1076 I1080 L1094 Q1134 | M1075-K1078 PolarHBondContact O-N 3.28Å; E1076-K1078 PolarHBondContact O-N 2.91Å; K1078-I1080 VanDerWaalsContact C-N 3.31Å; K1078-L1094 HydrophobicContact CB-CD1 4.14Å; K1078-L1094 HydrophobicContact CG-CD1 3.92Å; K1078-Q1134 PolarHBondContact NZ-O 2.87Å |
| 1079 | N | 54.1 | Low | 59.7 | Low | 134 Ų | 134 | 91.7 Ų | 91.7 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -83.5 | -2.3 | 176.4 | -78.1 | -29.4 | 0 | 0 | 0 | 113.9 | E1076 Q1077 | E1076-N1079 PolarHBondContact O-N 3.37Å; Q1077-N1079 PolarHBondContact O-N 3.08Å |
| 1080 | I | 51.3 | Low | 57.6 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -90 | 120.6 | 179.7 | -55.2 | 174.7 | 0 | 0 | 0 | 108.8 | Q1077 K1078 L1082 | Q1077-I1080 PolarHBondContact O-N 2.63Å; K1078-I1080 VanDerWaalsContact C-N 3.31Å; I1080-L1082 PolarHBondContact O-N 3.5Å |
| 1081 | P | 36.7 | Very low | 55.9 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | trans | -62.9 | 126 | -179 | -21.5 | 32.7 | 0 | 0 | 0 | 111.6 | V1083 | P1081-V1083 PolarHBondContact O-N 3.02Š| ||
| 1082 | L | 40.8 | Very low | 54.6 | Low | 169 Ų | 169 | 100.8 Ų | 100.8 | 89% | 0.885 | 57% | 0.57 | S | S | * | * | trans | -60.7 | 92.4 | 171.7 | -92.1 | 153.8 | 0 | 0 | 0 | 110.5 | I1080 V1084 | I1080-L1082 PolarHBondContact O-N 3.5Å; L1082-V1084 PolarHBondContact O-N 3.38Å | ||
| 1083 | V | 42.4 | Very low | 53.9 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | trans | -68.5 | 116.3 | 167.8 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | P1081 S1085 | P1081-V1083 PolarHBondContact O-N 3.02Å; V1083-S1085 PolarHBondContact O-N 3.09Å; V1083-S1085 VanDerWaalsContact O-N 3.15Å | ||
| 1084 | V | 34.3 | Very low | 53.4 | Low | 127 Ų | 127 | 103.5 Ų | 103.5 | 77% | 0.77 | 59% | 0.585 | S | S | * | * | trans | -64.8 | 111.7 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | L1082 | L1082-V1084 PolarHBondContact O-N 3.38Š| ||
| 1085 | S | 38.5 | Very low | 53.1 | Low | 98 Ų | 98 | 106.9 Ų | 106.9 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | trans | -126.8 | 110.3 | 165.3 | 59.3 | 0 | 0 | 0 | 0 | 109.1 | V1083 S1087 | V1083-S1085 PolarHBondContact O-N 3.09Å; V1083-S1085 VanDerWaalsContact O-N 3.15Å; S1085-S1087 PolarHBondContact O-N 3.22Å | ||
| 1086 | D | 35.7 | Very low | 53.4 | Low | 163 Ų | 163 | 110.9 Ų | 110.9 | 87% | 0.872 | 62% | 0.618 | S | S | * | * | trans | -65.5 | 97.4 | -176.5 | -69.7 | -52.5 | 0 | 0 | 0 | 112.2 | ||||
| 1087 | S | 42 | Very low | 53.8 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 69% | 0.692 | 59% | 0.589 | S | S | * | * | trans | -142.9 | 104.1 | 159.7 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | S1085 N1089 | S1085-S1087 PolarHBondContact O-N 3.22Å; S1087-N1089 PolarHBondContact O-N 3.44Å | ||
| 1088 | I | 41.8 | Very low | 54.5 | Low | 167 Ų | 167 | 102.5 Ų | 102.5 | 86% | 0.856 | 58% | 0.578 | S | S | * | * | trans | -64.5 | 97 | 178 | -60.4 | 164.9 | 0 | 0 | 0 | 108.7 | ||||
| 1089 | N | 41.8 | Very low | 55.8 | Low | 146 Ų | 146 | 100.2 Ų | 100.2 | 78% | 0.781 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -174.4 | 120 | 153.1 | -90.4 | -31.6 | 0 | 0 | 0 | 110.6 | S1087 | S1087-N1089 PolarHBondContact O-N 3.44Š|
| 1090 | S | 44.4 | Very low | 57.4 | Low | 102 Ų | 102 | 94.7 Ų | 94.7 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | trans | 42.8 | 69.2 | 167.8 | 63.5 | 0 | 0 | 0 | 0 | 117.4 | I1092 | S1090-I1092 PolarHBondContact O-N 2.87Å; S1090-I1092 VanDerWaalsContact O-N 3.11Å | ||
| 1091 | S | 52.7 | Low | 59.3 | Low | 121 Ų | 121 | 89.8 Ų | 89.8 | 85% | 0.846 | 52% | 0.517 | S | S | * | . | trans | -66.8 | 102 | 152.5 | 55.5 | 0 | 0 | 0 | 0 | 108.3 | D1093 | S1091-D1093 PolarHBondContact O-N 2.88Š| ||
| 1092 | I | 59 | Low | 61.9 | Low | 55 Ų | 55 | 84.8 Ų | 84.8 | 28% | 0.282 | 48% | 0.484 | S | S | . | . | trans | -63.6 | 123 | 178.7 | -68.4 | 165.6 | 0 | 0 | 0 | 108.7 | S1037 N1038 S1090 L1094 L1097 | S1037-I1092 WeakPolarHBondContact O-CD1 3.4Å; N1038-I1092 HydrophobicContact CB-CD1 4.36Å; S1090-I1092 PolarHBondContact O-N 2.87Å; S1090-I1092 VanDerWaalsContact O-N 3.11Å; I1092-L1094 PolarHBondContact O-N 3.12Å; I1092-L1097 HydrophobicContact CG2-CD1 3.79Å; I1092-L1097 HydrophobicContact CG2-CD2 3.99Å; I1092-L1097 HydrophobicContact CG2-CG 3.66Å | ||
| 1093 | D | 71.3 | Confident | 64.3 | Low | 82 Ų | 82 | 80.5 Ų | 80.5 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | trans | -70.5 | 124.7 | 176.7 | -169.5 | -13.1 | 0 | 0 | 0 | 109.2 | S1091 K1095 E1096 L1097 | S1091-D1093 PolarHBondContact O-N 2.88Å; D1093-K1095 PolarHBondContact O-N 3.31Å; D1093-K1095 VanDerWaalsContact O-N 3.16Å; D1093-K1095 WeakPolarHBondContact OD1-CB 3.33Å; D1093-K1095 WeakPolarHBondContact OD1-CG 2.97Å; D1093-K1095 PolarHBondContact OD1-N 3.31Å; D1093-E1096 HydrophobicContact CB-CB 4.41Å; D1093-E1096 WeakPolarHBondContact O-CB 3.48Å; D1093-E1096 PolarHBondContact O-N 3.21Å; D1093-L1097 PolarHBondContact O-N 3.41Å | ||
| 1094 | L | 74.2 | Confident | 66.8 | Low | 49 Ų | 49 | 77.1 Ų | 77.1 | 26% | 0.257 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.8 | -32.5 | 174.4 | -72 | 171 | 0 | 0 | 0 | 111.1 | K1078 I1092 E1096 L1097 W1098 | K1078-L1094 HydrophobicContact CB-CD1 4.14Å; K1078-L1094 HydrophobicContact CG-CD1 3.92Å; I1092-L1094 PolarHBondContact O-N 3.12Å; L1094-E1096 VanDerWaalsContact C-N 3.34Å; L1094-E1096 PolarHBondContact O-N 2.91Å; L1094-L1097 HydrophobicContact CD2-CD1 4.38Å; L1094-L1097 PolarHBondContact O-N 3.26Å; L1094-W1098 PolarHBondContact O-N 3.24Å; L1094-W1098 VanDerWaalsContact O-N 3.09Å |
| 1095 | K | 76.5 | Confident | 69.6 | Low | 71 Ų | 71 | 71 Ų | 71 | 31% | 0.309 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 175.1 | -61.9 | 175.9 | 178.8 | -175.4 | 0 | 112.2 | D1093 W1098 I1099 D1136 | D1093-K1095 PolarHBondContact O-N 3.31Å; D1093-K1095 VanDerWaalsContact O-N 3.16Å; D1093-K1095 WeakPolarHBondContact OD1-CB 3.33Å; D1093-K1095 WeakPolarHBondContact OD1-CG 2.97Å; D1093-K1095 PolarHBondContact OD1-N 3.31Å; K1095-W1098 PolarHBondContact O-N 2.74Å; K1095-I1099 WeakPolarHBondContact O-CB 3.08Å; K1095-I1099 WeakPolarHBondContact O-CD1 2.99Å; K1095-I1099 VanDerWaalsContact O-CG1 3.23Å; K1095-I1099 WeakPolarHBondContact O-CG1 3.33Å; K1095-I1099 PolarHBondContact O-N 3.28Å; K1095-D1136 VanDerWaalsContact CE-OD1 3.24Å; K1095-D1136 WeakPolarHBondContact CE-OD1 3.38Å; K1095-D1136 WeakPolarHBondContact CE-OD2 3.41Å; K1095-D1136 VanDerWaalsContact NZ-CG 3.31Å; K1095-D1136 IonicContact NZ-OD1 3.91Å; K1095-D1136 PolarHBondContact NZ-OD1 3.18Å; K1095-D1136 IonicContact NZ-OD2 4Å; K1095-D1136 PolarHBondContact NZ-OD2 3.38Å |
| 1096 | E | 80.8 | Confident | 72.2 | Confident | 123 Ų | 123 | 66.7 Ų | 66.7 | 58% | 0.575 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | -179.4 | -172.1 | 176.2 | -165.6 | 0 | 0 | 111.2 | D1093 L1094 S1100 | D1093-E1096 HydrophobicContact CB-CB 4.41Å; D1093-E1096 WeakPolarHBondContact O-CB 3.48Å; D1093-E1096 PolarHBondContact O-N 3.21Å; L1094-E1096 VanDerWaalsContact C-N 3.34Å; L1094-E1096 PolarHBondContact O-N 2.91Å; E1096-S1100 VanDerWaalsContact O-CB 3.29Å; E1096-S1100 WeakPolarHBondContact O-CB 3.01Å; E1096-S1100 PolarHBondContact O-N 3.26Å |
| 1097 | L | 84.2 | Confident | 74.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.8 | -70.1 | 175.5 | 0 | 0 | 0 | 112.1 | Y1040 L1041 F1074 I1092 D1093 L1094 S1100 V1101 | Y1040-L1097 HydrophobicContact CD2-CD1 3.96Å; Y1040-L1097 HydrophobicContact CG-CD1 4.44Å; L1041-L1097 HydrophobicContact CB-CD2 3.82Å; L1041-L1097 HydrophobicContact CD1-CD2 4.47Å; F1074-L1097 HydrophobicContact CD2-CB 4.22Å; F1074-L1097 HydrophobicContact CE2-CB 4.26Å; I1092-L1097 HydrophobicContact CG2-CD1 3.79Å; I1092-L1097 HydrophobicContact CG2-CD2 3.99Å; I1092-L1097 HydrophobicContact CG2-CG 3.66Å; D1093-L1097 PolarHBondContact O-N 3.41Å; L1094-L1097 HydrophobicContact CD2-CD1 4.38Å; L1094-L1097 PolarHBondContact O-N 3.26Å; L1097-S1100 WeakPolarHBondContact O-CB 3.41Å; L1097-S1100 PolarHBondContact O-N 3.35Å; L1097-V1101 WeakPolarHBondContact O-CG2 3.32Å; L1097-V1101 PolarHBondContact O-N 2.97Å |
| 1098 | W | 83.4 | Confident | 77.4 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.9 | -44 | -179.4 | -71.1 | 44.5 | 0 | 0 | 0 | 111.6 | M1075 L1094 K1095 S1100 V1101 F1102 H1131 Q1134 F1135 | M1075-W1098 HydrophobicContact CB-CZ2 4.3Å; M1075-W1098 HydrophobicContact CE-CH2 3.72Å; M1075-W1098 HydrophobicContact CE-CZ2 4.43Å; L1094-W1098 PolarHBondContact O-N 3.24Å; L1094-W1098 VanDerWaalsContact O-N 3.09Å; K1095-W1098 PolarHBondContact O-N 2.74Å; W1098-S1100 PolarHBondContact O-N 2.92Å; W1098-V1101 PolarHBondContact O-N 3.08Å; W1098-V1101 VanDerWaalsContact O-N 3.14Å; W1098-F1102 HydrophobicContact CB-CE2 4.02Å; W1098-F1102 HydrophobicContact CE3-CE2 4.21Å; W1098-F1102 HydrophobicContact CE3-CZ 4.22Å; W1098-F1102 WeakPolarHBondContact O-CD2 3.28Å; W1098-F1102 WeakPolarHBondContact O-CG 3.2Å; W1098-F1102 PolarHBondContact O-N 3.45Å; W1098-H1131 HydrophobicContact CE3-CB 3.98Å; W1098-H1131 HydrophobicContact CH2-CB 3.72Å; W1098-H1131 HydrophobicContact CZ3-CB 3.26Å; W1098-H1131 WeakPolarHBondContact CZ3-O 3.29Å; W1098-Q1134 HydrophobicContact CH2-CB 3.98Å; W1098-F1135 HydrophobicContact CD2-CE1 4.23Å; W1098-F1135 HydrophobicContact CE3-CD1 4.28Å; W1098-F1135 AromaticContact CE3-CE1 3.2Å; W1098-F1135 HydrophobicContact CE3-CE1 3.2Å; W1098-F1135 AromaticContact CE3-CZ 3.64Å; W1098-F1135 HydrophobicContact CE3-CZ 3.64Å; W1098-F1135 HydrophobicContact CH2-CE1 4.49Å; W1098-F1135 HydrophobicContact CZ3-CD1 4.1Å; W1098-F1135 AromaticContact CZ3-CE1 3.3Å; W1098-F1135 HydrophobicContact CZ3-CE1 3.3Å; W1098-F1135 AromaticContact CZ3-CZ 3.74Å; W1098-F1135 HydrophobicContact CZ3-CZ 3.74Å |
| 1099 | I | 86.9 | Confident | 79.8 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57 | -39.8 | 172.7 | -70 | 163.2 | 0 | 0 | 0 | 110.4 | K1095 H1103 T1139 T1142 I1147 | K1095-I1099 WeakPolarHBondContact O-CB 3.08Å; K1095-I1099 WeakPolarHBondContact O-CD1 2.99Å; K1095-I1099 VanDerWaalsContact O-CG1 3.23Å; K1095-I1099 WeakPolarHBondContact O-CG1 3.33Å; K1095-I1099 PolarHBondContact O-N 3.28Å; I1099-H1103 WeakPolarHBondContact O-CB 3.34Å; I1099-H1103 PolarHBondContact O-N 3.38Å; I1099-T1139 HydrophobicContact CG1-CG2 4.5Å; I1099-T1142 HydrophobicContact CD1-CG2 3.75Å; I1099-T1142 HydrophobicContact CG1-CG2 4.11Å; I1099-T1142 HydrophobicContact CG2-CG2 4.09Å; I1099-I1147 HydrophobicContact CG2-CD1 4.37Å |
| 1100 | S | 87.5 | Confident | 82.2 | Confident | 19 Ų | 19 | 43 Ų | 43 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 174.7 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | L1041 E1096 L1097 W1098 F1102 H1103 K1104 | L1041-S1100 WeakPolarHBondContact CD1-OG 3.43Å; E1096-S1100 VanDerWaalsContact O-CB 3.29Å; E1096-S1100 WeakPolarHBondContact O-CB 3.01Å; E1096-S1100 PolarHBondContact O-N 3.26Å; L1097-S1100 WeakPolarHBondContact O-CB 3.41Å; L1097-S1100 PolarHBondContact O-N 3.35Å; W1098-S1100 PolarHBondContact O-N 2.92Å; S1100-F1102 PolarHBondContact O-N 3.43Å; S1100-H1103 PolarHBondContact O-N 3.06Å; S1100-K1104 WeakPolarHBondContact O-CG 3.2Å; S1100-K1104 PolarHBondContact O-N 3.17Å |
| 1101 | V | 90.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -50.6 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V1044 A1071 F1074 L1097 W1098 H1103 K1104 L1105 | V1044-V1101 HydrophobicContact CB-CG2 4.35Å; V1044-V1101 HydrophobicContact CG1-CB 4.46Å; V1044-V1101 HydrophobicContact CG1-CG2 3.82Å; V1044-V1101 HydrophobicContact CG2-CG2 3.51Å; A1071-V1101 HydrophobicContact CB-CG1 4.19Å; F1074-V1101 HydrophobicContact CD2-CG2 4.3Å; F1074-V1101 HydrophobicContact CE2-CG2 3.82Å; L1097-V1101 WeakPolarHBondContact O-CG2 3.32Å; L1097-V1101 PolarHBondContact O-N 2.97Å; W1098-V1101 PolarHBondContact O-N 3.08Å; W1098-V1101 VanDerWaalsContact O-N 3.14Å; V1101-H1103 VanDerWaalsContact C-N 3.29Å; V1101-H1103 PolarHBondContact O-N 3.23Å; V1101-K1104 PolarHBondContact O-N 3.33Å; V1101-L1105 HydrophobicContact CG1-CD1 3.76Å; V1101-L1105 HydrophobicContact CG1-CG 4.32Å; V1101-L1105 WeakPolarHBondContact O-CB 3.29Å; V1101-L1105 WeakPolarHBondContact O-CG 3.37Å; V1101-L1105 PolarHBondContact O-N 3.17Å |
| 1102 | F | 91.7 | Very high | 86 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.013 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | 179.5 | -61.4 | -48.3 | 0 | 0 | 0 | 112.3 | W1098 S1100 A1106 L1124 T1127 I1128 F1135 L1143 I1147 | W1098-F1102 HydrophobicContact CB-CE2 4.02Å; W1098-F1102 HydrophobicContact CE3-CE2 4.21Å; W1098-F1102 HydrophobicContact CE3-CZ 4.22Å; W1098-F1102 WeakPolarHBondContact O-CD2 3.28Å; W1098-F1102 WeakPolarHBondContact O-CG 3.2Å; W1098-F1102 PolarHBondContact O-N 3.45Å; S1100-F1102 PolarHBondContact O-N 3.43Å; F1102-A1106 VanDerWaalsContact O-CB 3.24Å; F1102-A1106 WeakPolarHBondContact O-CB 3.46Å; F1102-A1106 PolarHBondContact O-N 2.85Å; F1102-L1124 HydrophobicContact CB-CD1 4.12Å; F1102-L1124 HydrophobicContact CD1-CD1 3.76Å; F1102-L1124 HydrophobicContact CG-CD1 4.37Å; F1102-T1127 HydrophobicContact CD1-CG2 4.5Å; F1102-T1127 HydrophobicContact CE1-CG2 3.56Å; F1102-T1127 HydrophobicContact CZ-CG2 4.17Å; F1102-I1128 HydrophobicContact CD1-CD1 4.37Å; F1102-I1128 HydrophobicContact CD1-CG1 3.78Å; F1102-I1128 HydrophobicContact CE1-CB 4.48Å; F1102-I1128 HydrophobicContact CE1-CG1 3.49Å; F1102-I1128 VanDerWaalsContact CE1-CG1 3.49Å; F1102-I1128 HydrophobicContact CG-CG1 4.48Å; F1102-I1128 HydrophobicContact CZ-CG1 4.01Å; F1102-F1135 HydrophobicContact CE2-CE1 4.08Å; F1102-F1135 HydrophobicContact CE2-CE2 4.4Å; F1102-F1135 AromaticContact CE2-CZ 3.47Å; F1102-F1135 HydrophobicContact CE2-CZ 3.47Å; F1102-F1135 VanDerWaalsContact CE2-CZ 3.47Å; F1102-F1135 AromaticContact CZ-CZ 3.73Å; F1102-F1135 HydrophobicContact CZ-CZ 3.73Å; F1102-L1143 HydrophobicContact CB-CD1 4.04Å; F1102-L1143 HydrophobicContact CD2-CD1 3.91Å; F1102-L1143 HydrophobicContact CG-CD1 4.01Å; F1102-I1147 HydrophobicContact CB-CD1 3.64Å; F1102-I1147 HydrophobicContact CB-CG2 4.48Å |
| 1103 | H | 92.2 | Very high | 87.4 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 37% | 0.366 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -46.3 | 175.9 | -177.4 | 57 | 0 | 0 | 0 | 111.5 | I1099 S1100 V1101 A1106 D1107 I1147 | I1099-H1103 WeakPolarHBondContact O-CB 3.34Å; I1099-H1103 PolarHBondContact O-N 3.38Å; S1100-H1103 PolarHBondContact O-N 3.06Å; V1101-H1103 VanDerWaalsContact C-N 3.29Å; V1101-H1103 PolarHBondContact O-N 3.23Å; H1103-A1106 PolarHBondContact O-N 3.23Å; H1103-D1107 IonicContact CE1-OD2 3.13Å; H1103-D1107 IonicContact NE2-OD2 3.78Å; H1103-D1107 PolarHBondContact O-N 3.43Å; H1103-I1147 HydrophobicContact CB-CD1 4.26Å |
| 1104 | K | 93.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 23% | 0.226 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -37.6 | 176.6 | -65.6 | -49.8 | -179.6 | -171.2 | 0 | 113.2 | V1044 A1048 S1100 V1101 D1107 L1108 | V1044-K1104 HydrophobicContact CG1-CG 4.05Å; A1048-K1104 HydrophobicContact CB-CB 3.74Å; A1048-K1104 HydrophobicContact CB-CD 3.89Å; A1048-K1104 HydrophobicContact CB-CG 3.75Å; S1100-K1104 WeakPolarHBondContact O-CG 3.2Å; S1100-K1104 PolarHBondContact O-N 3.17Å; V1101-K1104 PolarHBondContact O-N 3.33Å; K1104-D1107 PolarHBondContact O-N 3.22Å; K1104-L1108 WeakPolarHBondContact O-CG 3.37Å; K1104-L1108 PolarHBondContact O-N 3.25Å; K1104-L1108 VanDerWaalsContact O-N 3.08Å |
| 1105 | L | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 172.7 | -75.9 | 171.7 | 0 | 0 | 0 | 111.4 | I1064 L1067 V1101 D1107 L1108 C1109 T1123 L1124 | I1064-L1105 HydrophobicContact CG2-CD2 4.31Å; L1067-L1105 HydrophobicContact CB-CD2 3.98Å; L1067-L1105 HydrophobicContact CB-CG 4.39Å; L1067-L1105 HydrophobicContact CD1-CD2 3.7Å; L1067-L1105 HydrophobicContact CD1-CG 4.13Å; L1067-L1105 HydrophobicContact CG-CD2 4.49Å; V1101-L1105 HydrophobicContact CG1-CD1 3.76Å; V1101-L1105 HydrophobicContact CG1-CG 4.32Å; V1101-L1105 WeakPolarHBondContact O-CB 3.29Å; V1101-L1105 WeakPolarHBondContact O-CG 3.37Å; V1101-L1105 PolarHBondContact O-N 3.17Å; L1105-D1107 PolarHBondContact O-N 3.12Å; L1105-L1108 PolarHBondContact O-N 3.17Å; L1105-C1109 PolarHBondContact O-N 3.43Å; L1105-C1109 PolarHBondContact O-SG 2.81Å; L1105-T1123 HydrophobicContact CD1-CG2 4.02Å; L1105-T1123 HydrophobicContact CD2-CG2 3.87Å; L1105-L1124 HydrophobicContact CB-CB 4.2Å; L1105-L1124 HydrophobicContact CB-CD1 4.05Å; L1105-L1124 HydrophobicContact CD1-CD1 4.5Å |
| 1106 | A | 92.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1102 H1103 C1109 L1124 I1147 L1151 | F1102-A1106 VanDerWaalsContact O-CB 3.24Å; F1102-A1106 WeakPolarHBondContact O-CB 3.46Å; F1102-A1106 PolarHBondContact O-N 2.85Å; H1103-A1106 PolarHBondContact O-N 3.23Å; A1106-C1109 WeakPolarHBondContact O-CB 3.35Å; A1106-C1109 PolarHBondContact O-N 2.94Å; A1106-L1124 HydrophobicContact CB-CD2 4.28Å; A1106-I1147 HydrophobicContact CB-CG2 3.56Å; A1106-L1151 HydrophobicContact CB-CD1 4.49Å; A1106-L1151 HydrophobicContact CB-CD2 4.26Å |
| 1107 | D | 92.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 171.3 | -75.6 | -21.2 | 0 | 0 | 0 | 111.5 | H1103 K1104 L1105 C1109 L1110 | H1103-D1107 IonicContact CE1-OD2 3.13Å; H1103-D1107 IonicContact NE2-OD2 3.78Å; H1103-D1107 PolarHBondContact O-N 3.43Å; K1104-D1107 PolarHBondContact O-N 3.22Å; L1105-D1107 PolarHBondContact O-N 3.12Å; D1107-C1109 VanDerWaalsContact C-N 3.28Å; D1107-C1109 PolarHBondContact O-N 2.98Å; D1107-L1110 WeakPolarHBondContact O-CA 3.44Å; D1107-L1110 WeakPolarHBondContact O-CB 3.5Å; D1107-L1110 PolarHBondContact O-N 2.99Å |
| 1108 | L | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67 | -26.2 | 174.2 | -71.4 | 168.1 | 0 | 0 | 0 | 113.2 | G1051 H1052 I1064 L1067 K1104 L1105 L1110 D1111 V1116 A1120 | G1051-L1108 VanDerWaalsContact C-CD2 3.49Å; H1052-L1108 VanDerWaalsContact CE1-CD2 3.45Å; H1052-L1108 WeakPolarHBondContact CE1-CD2 3.33Å; H1052-L1108 WeakPolarHBondContact ND1-CD2 3.33Å; I1064-L1108 HydrophobicContact CG1-CD1 3.98Å; L1067-L1108 HydrophobicContact CD1-CD1 3.66Å; K1104-L1108 WeakPolarHBondContact O-CG 3.37Å; K1104-L1108 PolarHBondContact O-N 3.25Å; K1104-L1108 VanDerWaalsContact O-N 3.08Å; L1105-L1108 PolarHBondContact O-N 3.17Å; L1108-L1110 PolarHBondContact O-N 2.9Å; L1108-D1111 WeakPolarHBondContact O-CB 3.46Å; L1108-D1111 PolarHBondContact O-N 3.22Å; L1108-V1116 HydrophobicContact CD2-CG1 4.24Å; L1108-A1120 HydrophobicContact CB-CB 3.7Å |
| 1109 | C | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.1 | 169.3 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | L1105 A1106 D1107 R1117 A1120 C1121 L1151 | L1105-C1109 PolarHBondContact O-N 3.43Å; L1105-C1109 PolarHBondContact O-SG 2.81Å; A1106-C1109 WeakPolarHBondContact O-CB 3.35Å; A1106-C1109 PolarHBondContact O-N 2.94Å; D1107-C1109 VanDerWaalsContact C-N 3.28Å; D1107-C1109 PolarHBondContact O-N 2.98Å; C1109-R1117 WeakPolarHBondContact O-CD 3.26Å; C1109-R1117 WeakPolarHBondContact O-CG 3.34Å; C1109-A1120 VanDerWaalsContact SG-C 3.5Å; C1109-C1121 VanDerWaalsContact SG-CA 3.6Å; C1109-C1121 PolarHBondContact SG-N 2.88Å; C1109-C1121 VanDerWaalsContact SG-N 3.4Å; C1109-L1151 HydrophobicContact CB-CD1 3.7Å; C1109-L1151 HydrophobicContact CB-CD2 4.31Å |
| 1110 | L | 91.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 18% | 0.183 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 5 | 177.9 | -55.4 | 167.9 | 0 | 0 | 0 | 113.1 | D1107 L1108 L1151 K1154 V1155 L1158 | D1107-L1110 WeakPolarHBondContact O-CA 3.44Å; D1107-L1110 WeakPolarHBondContact O-CB 3.5Å; D1107-L1110 PolarHBondContact O-N 2.99Å; L1108-L1110 PolarHBondContact O-N 2.9Å; L1110-L1151 HydrophobicContact CD2-CD1 4Å; L1110-L1151 HydrophobicContact CG-CD1 4.17Å; L1110-K1154 HydrophobicContact CD1-CB 4.18Å; L1110-K1154 HydrophobicContact CD1-CD 3.5Å; L1110-K1154 HydrophobicContact CD1-CG 4.49Å; L1110-K1154 HydrophobicContact CD2-CB 3.7Å; L1110-V1155 HydrophobicContact CD2-CG2 3.65Å; L1110-L1158 HydrophobicContact CB-CD1 4.31Å; L1110-L1158 HydrophobicContact CD2-CD1 3.8Å |
| 1111 | D | 90.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | trans | -59.5 | 148.2 | 179.1 | -168.1 | -73.6 | 0 | 0 | 0 | 111.9 | L1108 R1113 V1116 R1117 | L1108-D1111 WeakPolarHBondContact O-CB 3.46Å; L1108-D1111 PolarHBondContact O-N 3.22Å; D1111-R1113 PolarHBondContact O-N 3.07Å; D1111-R1113 VanDerWaalsContact OD1-CB 3.27Å; D1111-R1113 WeakPolarHBondContact OD1-CB 3.28Å; D1111-R1113 WeakPolarHBondContact OD1-CG 3.28Å; D1111-R1113 IonicContact OD1-CZ 3.09Å; D1111-R1113 PolarHBondContact OD1-N 3.13Å; D1111-R1113 IonicContact OD1-NE 3.23Å; D1111-R1113 PolarHBondContact OD1-NE 3.24Å; D1111-R1113 IonicContact OD1-NH2 3.2Å; D1111-R1113 IonicContact OD2-CZ 2.67Å; D1111-R1113 IonicContact OD2-NE 3.71Å; D1111-R1113 IonicContact OD2-NH2 3.6Å; D1111-R1113 PolarHBondContact OD2-NH2 2.84Å; D1111-V1116 HydrophobicContact CB-CB 4.15Å; D1111-V1116 HydrophobicContact CB-CG1 3.84Å; D1111-R1117 HydrophobicContact CB-CG 4.34Å; D1111-R1117 WeakPolarHBondContact O-CD 3.45Å; D1111-R1117 WeakPolarHBondContact O-CG 3.37Å; D1111-R1117 PolarHBondContact O-NH1 3.38Å | ||
| 1112 | R | 85.6 | Confident | 91.5 | Very high | 224 Ų | 224 | 37.9 Ų | 37.9 | 85% | 0.845 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -63.4 | -26.1 | 178.5 | -64.6 | -175.1 | 179 | -171.7 | -1.1 | 112.8 | R1117 | R1112-R1117 VanDerWaalsContact C-NH1 3.31Å; R1112-R1117 PolarHBondContact O-NH1 2.88Å |
| 1113 | R | 88.6 | Confident | 91.6 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -87.6 | 120.6 | -174.9 | -62.2 | 165.3 | -68 | 168.8 | -0.9 | 111.2 | G1051 Q1053 D1111 A1115 V1116 R1117 | G1051-R1113 PolarHBondContact O-NH2 3.3Å; Q1053-R1113 VanDerWaalsContact O-CZ 3.23Å; Q1053-R1113 PolarHBondContact O-NH1 2.92Å; Q1053-R1113 PolarHBondContact O-NH2 3.48Å; D1111-R1113 PolarHBondContact O-N 3.07Å; D1111-R1113 VanDerWaalsContact OD1-CB 3.27Å; D1111-R1113 WeakPolarHBondContact OD1-CB 3.28Å; D1111-R1113 WeakPolarHBondContact OD1-CG 3.28Å; D1111-R1113 IonicContact OD1-CZ 3.09Å; D1111-R1113 PolarHBondContact OD1-N 3.13Å; D1111-R1113 IonicContact OD1-NE 3.23Å; D1111-R1113 PolarHBondContact OD1-NE 3.24Å; D1111-R1113 IonicContact OD1-NH2 3.2Å; D1111-R1113 IonicContact OD2-CZ 2.67Å; D1111-R1113 IonicContact OD2-NE 3.71Å; D1111-R1113 IonicContact OD2-NH2 3.6Å; D1111-R1113 PolarHBondContact OD2-NH2 2.84Å; R1113-A1115 PolarHBondContact O-N 3.03Å; R1113-V1116 HydrophobicContact CB-CB 4.28Å; R1113-V1116 HydrophobicContact CB-CG2 3.91Å; R1113-V1116 PolarHBondContact O-N 2.85Å; R1113-R1117 PolarHBondContact O-N 2.83Å |
| 1114 | P | 87 | Confident | 91.7 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 27% | 0.273 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.3 | -40.3 | -174.8 | -24 | 32.2 | 0 | 0 | 0 | 114.6 | V1116 R1117 K1118 Q1186 | P1114-V1116 VanDerWaalsContact C-N 3.32Å; P1114-V1116 PolarHBondContact O-N 3.34Å; P1114-R1117 PolarHBondContact O-N 3.5Å; P1114-K1118 WeakPolarHBondContact O-CB 3.45Å; P1114-K1118 PolarHBondContact O-N 3.08Å; P1114-Q1186 HydrophobicContact CB-CB 4.14Å; P1114-Q1186 HydrophobicContact CB-CG 4.32Å; P1114-Q1186 HydrophobicContact CG-CB 3.79Å; P1114-Q1186 HydrophobicContact CG-CG 3.85Å |
| 1115 | A | 88.1 | Confident | 91.6 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 35% | 0.347 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1057 L1061 R1113 S1119 | L1057-A1115 HydrophobicContact CD1-CB 4.21Å; L1057-A1115 HydrophobicContact CD2-CB 4.14Å; L1061-A1115 HydrophobicContact CD2-CB 4.34Å; L1061-A1115 WeakPolarHBondContact CD2-O 3.5Å; R1113-A1115 PolarHBondContact O-N 3.03Å; A1115-S1119 WeakPolarHBondContact O-CB 3.24Å; A1115-S1119 PolarHBondContact O-N 2.82Å |
| 1116 | V | 91.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -48.9 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | L1057 A1060 I1064 L1108 D1111 R1113 P1114 K1118 S1119 A1120 | L1057-V1116 HydrophobicContact CD1-CG2 3.5Å; L1057-V1116 VanDerWaalsContact CD1-CG2 3.5Å; A1060-V1116 HydrophobicContact CB-CG2 3.91Å; I1064-V1116 HydrophobicContact CD1-CG1 3.8Å; I1064-V1116 WeakPolarHBondContact CD1-O 3.35Å; L1108-V1116 HydrophobicContact CD2-CG1 4.24Å; D1111-V1116 HydrophobicContact CB-CB 4.15Å; D1111-V1116 HydrophobicContact CB-CG1 3.84Å; R1113-V1116 HydrophobicContact CB-CB 4.28Å; R1113-V1116 HydrophobicContact CB-CG2 3.91Å; R1113-V1116 PolarHBondContact O-N 2.85Å; P1114-V1116 VanDerWaalsContact C-N 3.32Å; P1114-V1116 PolarHBondContact O-N 3.34Å; V1116-K1118 PolarHBondContact O-N 3.32Å; V1116-S1119 PolarHBondContact O-N 3.3Å; V1116-A1120 VanDerWaalsContact O-CB 3.27Å; V1116-A1120 WeakPolarHBondContact O-CB 3.27Å; V1116-A1120 PolarHBondContact O-N 3.08Å |
| 1117 | R | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.4 | -48.5 | 176.3 | -64.3 | -162.9 | -60.5 | -86.3 | 5.6 | 112.5 | C1109 D1111 R1112 R1113 P1114 A1120 C1121 Q1186 T1190 | C1109-R1117 WeakPolarHBondContact O-CD 3.26Å; C1109-R1117 WeakPolarHBondContact O-CG 3.34Å; D1111-R1117 HydrophobicContact CB-CG 4.34Å; D1111-R1117 WeakPolarHBondContact O-CD 3.45Å; D1111-R1117 WeakPolarHBondContact O-CG 3.37Å; D1111-R1117 PolarHBondContact O-NH1 3.38Å; R1112-R1117 VanDerWaalsContact C-NH1 3.31Å; R1112-R1117 PolarHBondContact O-NH1 2.88Å; R1113-R1117 PolarHBondContact O-N 2.83Å; P1114-R1117 PolarHBondContact O-N 3.5Å; R1117-A1120 PolarHBondContact O-N 3.22Å; R1117-C1121 WeakPolarHBondContact O-CB 3.49Å; R1117-C1121 PolarHBondContact O-N 3.38Å; R1117-C1121 PolarHBondContact O-SG 3.27Å; R1117-Q1186 VanDerWaalsContact NH2-C 3.3Å; R1117-Q1186 PolarHBondContact NH2-O 3.31Å; R1117-T1190 HydrophobicContact CB-CG2 4.24Å; R1117-T1190 PolarHBondContact NE-OG1 3.22Å |
| 1118 | K | 90.9 | Very high | 91 | Very high | 81 Ų | 81 | 35 Ų | 35 | 35% | 0.352 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -48.6 | -178.6 | 178.6 | 165.4 | -173.9 | 163.1 | 0 | 111.8 | P1114 V1116 C1121 Q1122 E1189 L1193 | P1114-K1118 WeakPolarHBondContact O-CB 3.45Å; P1114-K1118 PolarHBondContact O-N 3.08Å; V1116-K1118 PolarHBondContact O-N 3.32Å; K1118-C1121 PolarHBondContact O-N 3.48Å; K1118-Q1122 WeakPolarHBondContact O-CG 3.44Å; K1118-Q1122 PolarHBondContact O-N 2.93Å; K1118-E1189 WeakPolarHBondContact CD-OE1 3.38Å; K1118-E1189 WeakPolarHBondContact CE-OE1 3.39Å; K1118-E1189 IonicContact NZ-OE1 2.76Å; K1118-E1189 PolarHBondContact NZ-OE1 3.31Å; K1118-L1193 HydrophobicContact CB-CD1 4.32Å; K1118-L1193 HydrophobicContact CD-CD1 4.45Å; K1118-L1193 HydrophobicContact CG-CD1 3.89Å |
| 1119 | S | 92.3 | Very high | 90.7 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 22% | 0.217 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.7 | -167 | 0 | 0 | 0 | 0 | 111.3 | A1115 V1116 Q1122 T1123 | A1115-S1119 WeakPolarHBondContact O-CB 3.24Å; A1115-S1119 PolarHBondContact O-N 2.82Å; V1116-S1119 PolarHBondContact O-N 3.3Å; S1119-Q1122 PolarHBondContact O-N 3.29Å; S1119-T1123 WeakPolarHBondContact O-CB 3.46Å; S1119-T1123 PolarHBondContact O-N 3.15Å; S1119-T1123 PolarHBondContact O-OG1 2.97Å |
| 1120 | A | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1064 L1108 C1109 V1116 R1117 T1123 L1124 | I1064-A1120 HydrophobicContact CD1-CB 3.97Å; L1108-A1120 HydrophobicContact CB-CB 3.7Å; C1109-A1120 VanDerWaalsContact SG-C 3.5Å; V1116-A1120 VanDerWaalsContact O-CB 3.27Å; V1116-A1120 WeakPolarHBondContact O-CB 3.27Å; V1116-A1120 PolarHBondContact O-N 3.08Å; R1117-A1120 PolarHBondContact O-N 3.22Å; A1120-T1123 PolarHBondContact O-N 3.49Å; A1120-L1124 WeakPolarHBondContact O-CB 3.34Å; A1120-L1124 PolarHBondContact O-N 3.48Å |
| 1121 | C | 92.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -50.8 | 176.5 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | C1109 R1117 K1118 T1123 L1124 F1125 L1193 | C1109-C1121 VanDerWaalsContact SG-CA 3.6Å; C1109-C1121 PolarHBondContact SG-N 2.88Å; C1109-C1121 VanDerWaalsContact SG-N 3.4Å; R1117-C1121 WeakPolarHBondContact O-CB 3.49Å; R1117-C1121 PolarHBondContact O-N 3.38Å; R1117-C1121 PolarHBondContact O-SG 3.27Å; K1118-C1121 PolarHBondContact O-N 3.48Å; C1121-T1123 VanDerWaalsContact C-N 3.35Å; C1121-T1123 PolarHBondContact O-N 3.14Å; C1121-L1124 PolarHBondContact O-N 3.31Å; C1121-F1125 WeakPolarHBondContact O-CD2 3.19Å; C1121-F1125 PolarHBondContact O-N 2.92Å; C1121-F1125 VanDerWaalsContact O-N 3.12Å; C1121-L1193 HydrophobicContact CB-CB 4.28Å |
| 1122 | Q | 92.3 | Very high | 89.4 | Confident | 95 Ų | 95 | 41.9 Ų | 41.9 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 179.1 | -71.5 | -179.4 | -39.3 | 0 | 0 | 111.1 | K1118 S1119 N1126 | K1118-Q1122 WeakPolarHBondContact O-CG 3.44Å; K1118-Q1122 PolarHBondContact O-N 2.93Å; S1119-Q1122 PolarHBondContact O-N 3.29Å; Q1122-N1126 VanDerWaalsContact O-CB 3.28Å; Q1122-N1126 WeakPolarHBondContact O-CB 3.27Å; Q1122-N1126 PolarHBondContact O-N 3.05Å; Q1122-N1126 PolarHBondContact O-OD1 3.33Å |
| 1123 | T | 93.3 | Very high | 89.2 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 175.2 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | I1064 L1068 L1105 S1119 A1120 C1121 F1125 N1126 T1127 | I1064-T1123 HydrophobicContact CG2-CG2 4.09Å; I1064-T1123 VanDerWaalsContact CG2-OG1 3.28Å; I1064-T1123 WeakPolarHBondContact CG2-OG1 3.45Å; L1068-T1123 HydrophobicContact CB-CG2 3.79Å; L1068-T1123 HydrophobicContact CD1-CG2 4.31Å; L1068-T1123 HydrophobicContact CG-CG2 4.46Å; L1105-T1123 HydrophobicContact CD1-CG2 4.02Å; L1105-T1123 HydrophobicContact CD2-CG2 3.87Å; S1119-T1123 WeakPolarHBondContact O-CB 3.46Å; S1119-T1123 PolarHBondContact O-N 3.15Å; S1119-T1123 PolarHBondContact O-OG1 2.97Å; A1120-T1123 PolarHBondContact O-N 3.49Å; C1121-T1123 VanDerWaalsContact C-N 3.35Å; C1121-T1123 PolarHBondContact O-N 3.14Å; T1123-F1125 PolarHBondContact O-N 3.43Å; T1123-N1126 PolarHBondContact O-N 3.26Å; T1123-T1127 WeakPolarHBondContact O-CB 3.1Å; T1123-T1127 PolarHBondContact O-N 3.3Å; T1123-T1127 PolarHBondContact O-OG1 2.96Å |
| 1124 | L | 93.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.5 | -52.9 | 179.9 | 176.7 | 60 | 0 | 0 | 0 | 112.6 | F1102 L1105 A1106 A1120 C1121 I1128 L1151 | F1102-L1124 HydrophobicContact CB-CD1 4.12Å; F1102-L1124 HydrophobicContact CD1-CD1 3.76Å; F1102-L1124 HydrophobicContact CG-CD1 4.37Å; L1105-L1124 HydrophobicContact CB-CB 4.2Å; L1105-L1124 HydrophobicContact CB-CD1 4.05Å; L1105-L1124 HydrophobicContact CD1-CD1 4.5Å; A1106-L1124 HydrophobicContact CB-CD2 4.28Å; A1120-L1124 WeakPolarHBondContact O-CB 3.34Å; A1120-L1124 PolarHBondContact O-N 3.48Å; C1121-L1124 PolarHBondContact O-N 3.31Å; L1124-I1128 HydrophobicContact CD1-CD1 3.8Å; L1124-I1128 HydrophobicContact CD1-CG1 4.41Å; L1124-I1128 HydrophobicContact CG-CD1 4.05Å; L1124-I1128 VanDerWaalsContact O-CG1 3.26Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.37Å; L1124-I1128 PolarHBondContact O-N 2.93Å; L1124-L1151 HydrophobicContact CD2-CD2 3.58Å |
| 1125 | F | 92.2 | Very high | 88.4 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72 | -38 | -177.4 | -66.3 | -67.2 | 0 | 0 | 0 | 112.6 | C1121 T1123 T1127 I1128 E1129 L1148 T1194 V1198 | C1121-F1125 WeakPolarHBondContact O-CD2 3.19Å; C1121-F1125 PolarHBondContact O-N 2.92Å; C1121-F1125 VanDerWaalsContact O-N 3.12Å; T1123-F1125 PolarHBondContact O-N 3.43Å; F1125-T1127 PolarHBondContact O-N 3.28Å; F1125-I1128 PolarHBondContact O-N 2.91Å; F1125-E1129 WeakPolarHBondContact O-CB 3.36Å; F1125-E1129 PolarHBondContact O-N 2.87Å; F1125-L1148 HydrophobicContact CE1-CD2 3.9Å; F1125-L1148 HydrophobicContact CZ-CD2 4.41Å; F1125-T1194 HydrophobicContact CE2-CG2 4.26Å; F1125-V1198 HydrophobicContact CE1-CG2 3.76Å; F1125-V1198 HydrophobicContact CZ-CG2 3.94Å |
| 1126 | N | 89.9 | Confident | 88.1 | Confident | 86 Ų | 86 | 38.2 Ų | 38.2 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.4 | -67.3 | 4.6 | 0 | 0 | 0 | 111.4 | Q1122 T1123 E1129 C1130 | Q1122-N1126 VanDerWaalsContact O-CB 3.28Å; Q1122-N1126 WeakPolarHBondContact O-CB 3.27Å; Q1122-N1126 PolarHBondContact O-N 3.05Å; Q1122-N1126 PolarHBondContact O-OD1 3.33Å; T1123-N1126 PolarHBondContact O-N 3.26Å; N1126-E1129 PolarHBondContact O-N 2.99Å; N1126-C1130 WeakPolarHBondContact O-CB 3.46Å; N1126-C1130 PolarHBondContact O-N 2.86Å; N1126-C1130 PolarHBondContact O-SG 2.97Å |
| 1127 | T | 88.2 | Confident | 87.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.3 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | L1068 A1071 F1102 T1123 F1125 E1129 H1131 | L1068-T1127 VanDerWaalsContact CD1-OG1 3.22Å; L1068-T1127 WeakPolarHBondContact CD1-OG1 3.41Å; A1071-T1127 HydrophobicContact CB-CG2 3.44Å; A1071-T1127 VanDerWaalsContact CB-CG2 3.44Å; F1102-T1127 HydrophobicContact CD1-CG2 4.5Å; F1102-T1127 HydrophobicContact CE1-CG2 3.56Å; F1102-T1127 HydrophobicContact CZ-CG2 4.17Å; T1123-T1127 WeakPolarHBondContact O-CB 3.1Å; T1123-T1127 PolarHBondContact O-N 3.3Å; T1123-T1127 PolarHBondContact O-OG1 2.96Å; F1125-T1127 PolarHBondContact O-N 3.28Å; T1127-E1129 PolarHBondContact O-N 3.5Å; T1127-H1131 VanDerWaalsContact CG2-ND1 3.27Å; T1127-H1131 WeakPolarHBondContact CG2-ND1 3.34Å; T1127-H1131 VanDerWaalsContact O-CB 3.3Å; T1127-H1131 WeakPolarHBondContact O-CB 3.41Å; T1127-H1131 PolarHBondContact O-N 3.47Å; T1127-H1131 PolarHBondContact O-ND1 2.92Å |
| 1128 | I | 88 | Confident | 87 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 175.1 | -67.5 | 165.5 | 0 | 0 | 0 | 110.4 | F1102 L1124 F1125 H1131 S1132 W1140 L1143 L1148 | F1102-I1128 HydrophobicContact CD1-CD1 4.37Å; F1102-I1128 HydrophobicContact CD1-CG1 3.78Å; F1102-I1128 HydrophobicContact CE1-CB 4.48Å; F1102-I1128 HydrophobicContact CE1-CG1 3.49Å; F1102-I1128 VanDerWaalsContact CE1-CG1 3.49Å; F1102-I1128 HydrophobicContact CG-CG1 4.48Å; F1102-I1128 HydrophobicContact CZ-CG1 4.01Å; L1124-I1128 HydrophobicContact CD1-CD1 3.8Å; L1124-I1128 HydrophobicContact CD1-CG1 4.41Å; L1124-I1128 HydrophobicContact CG-CD1 4.05Å; L1124-I1128 VanDerWaalsContact O-CG1 3.26Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.37Å; L1124-I1128 PolarHBondContact O-N 2.93Å; F1125-I1128 PolarHBondContact O-N 2.91Å; I1128-H1131 PolarHBondContact O-N 3.42Å; I1128-S1132 WeakPolarHBondContact O-CB 3.26Å; I1128-S1132 PolarHBondContact O-N 3.34Å; I1128-S1132 PolarHBondContact O-OG 3.45Å; I1128-W1140 HydrophobicContact CG2-CH2 4.32Å; I1128-L1143 HydrophobicContact CD1-CD1 4.1Å; I1128-L1143 HydrophobicContact CD1-CD2 4.26Å; I1128-L1143 HydrophobicContact CG1-CD1 4.5Å; I1128-L1143 HydrophobicContact CG1-CD2 4.21Å; I1128-L1143 HydrophobicContact CG2-CD2 4.12Å; I1128-L1148 HydrophobicContact CD1-CD1 4.41Å; I1128-L1148 HydrophobicContact CD1-CD2 3.96Å |
| 1129 | E | 87.5 | Confident | 86.7 | Confident | 101 Ų | 101 | 44.6 Ų | 44.6 | 47% | 0.472 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62 | -46.8 | -178 | -178.4 | 168.3 | -152.9 | 0 | 0 | 112.6 | F1125 N1126 T1127 S1132 K1205 | F1125-E1129 WeakPolarHBondContact O-CB 3.36Å; F1125-E1129 PolarHBondContact O-N 2.87Å; N1126-E1129 PolarHBondContact O-N 2.99Å; T1127-E1129 PolarHBondContact O-N 3.5Å; E1129-S1132 PolarHBondContact O-OG 3.08Å; E1129-K1205 WeakPolarHBondContact O-CE 3.48Å; E1129-K1205 PolarHBondContact O-NZ 2.66Å |
| 1130 | C | 84.9 | Confident | 86.6 | Confident | 90 Ų | 90 | 43.2 Ų | 43.2 | 61% | 0.608 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.8 | -36.7 | 178.3 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | N1126 | N1126-C1130 WeakPolarHBondContact O-CB 3.46Å; N1126-C1130 PolarHBondContact O-N 2.86Å; N1126-C1130 PolarHBondContact O-SG 2.97Å |
| 1131 | H | 81.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -104.4 | -13.2 | -165.8 | -52.3 | 161.9 | 0 | 0 | 0 | 115.6 | D1072 M1075 W1098 T1127 I1128 E1133 Q1134 | D1072-H1131 PolarHBondContact N-CE1 3.31Å; D1072-H1131 IonicContact OD1-CE1 3.91Å; D1072-H1131 PolarHBondContact OD1-CE1 3.48Å; D1072-H1131 VanDerWaalsContact OD1-CE1 3.24Å; D1072-H1131 IonicContact OD1-NE2 3.9Å; D1072-H1131 PolarHBondContact OD1-NE2 3.09Å; M1075-H1131 VanDerWaalsContact CE-CA 3.41Å; M1075-H1131 HydrophobicContact CE-CB 3.64Å; W1098-H1131 HydrophobicContact CE3-CB 3.98Å; W1098-H1131 HydrophobicContact CH2-CB 3.72Å; W1098-H1131 HydrophobicContact CZ3-CB 3.26Å; W1098-H1131 WeakPolarHBondContact CZ3-O 3.29Å; T1127-H1131 VanDerWaalsContact CG2-ND1 3.27Å; T1127-H1131 WeakPolarHBondContact CG2-ND1 3.34Å; T1127-H1131 VanDerWaalsContact O-CB 3.3Å; T1127-H1131 WeakPolarHBondContact O-CB 3.41Å; T1127-H1131 PolarHBondContact O-N 3.47Å; T1127-H1131 PolarHBondContact O-ND1 2.92Å; I1128-H1131 PolarHBondContact O-N 3.42Å; H1131-E1133 VanDerWaalsContact C-N 3.3Å; H1131-E1133 PolarHBondContact O-N 3.46Å; H1131-E1133 VanDerWaalsContact O-N 3.12Å; H1131-Q1134 PolarHBondContact O-N 2.77Å |
| 1132 | S | 82.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -66.2 | -13.2 | -167.4 | 38.3 | 0 | 0 | 0 | 0 | 118.5 | I1128 E1129 Q1134 F1135 W1140 K1205 | I1128-S1132 WeakPolarHBondContact O-CB 3.26Å; I1128-S1132 PolarHBondContact O-N 3.34Å; I1128-S1132 PolarHBondContact O-OG 3.45Å; E1129-S1132 PolarHBondContact O-OG 3.08Å; S1132-Q1134 PolarHBondContact O-N 3.17Å; S1132-F1135 VanDerWaalsContact CA-CD2 3.47Å; S1132-F1135 VanDerWaalsContact CA-CE2 3.47Å; S1132-F1135 PolarHBondContact O-N 2.73Å; S1132-W1140 VanDerWaalsContact CB-CZ2 3.49Å; S1132-K1205 WeakPolarHBondContact OG-CD 3.4Å; S1132-K1205 WeakPolarHBondContact OG-CE 3.43Å; S1132-K1205 WeakPolarHBondContact OG-CG 3.38Å; S1132-K1205 PolarHBondContact OG-NZ 2.82Å; S1132-K1205 VanDerWaalsContact OG-NZ 3.09Å |
| 1133 | E | 80.5 | Confident | 85.8 | Confident | 145 Ų | 145 | 41.1 Ų | 41.1 | 68% | 0.678 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -68 | -12.9 | 176.7 | -64 | -178.5 | -176.1 | 0 | 0 | 112.9 | H1131 K1205 | H1131-E1133 VanDerWaalsContact C-N 3.3Å; H1131-E1133 PolarHBondContact O-N 3.46Å; H1131-E1133 VanDerWaalsContact O-N 3.12Å; E1133-K1205 IonicContact OE1-NZ 2.89Å |
| 1134 | Q | 76.6 | Confident | 85.6 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 24% | 0.243 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -98.7 | 2.8 | -179.9 | -64.6 | -161.3 | -9.1 | 0 | 0 | 114.2 | M1075 K1078 W1098 H1131 S1132 | M1075-Q1134 HydrophobicContact CE-CG 4.06Å; M1075-Q1134 HydrophobicContact SD-CG 4.18Å; M1075-Q1134 PolarHBondContact SD-NE2 3.28Å; K1078-Q1134 PolarHBondContact NZ-O 2.87Å; W1098-Q1134 HydrophobicContact CH2-CB 3.98Å; H1131-Q1134 PolarHBondContact O-N 2.77Å; S1132-Q1134 PolarHBondContact O-N 3.17Å |
| 1135 | F | 83.7 | Confident | 85.5 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | trans | -84.3 | 130.1 | 178.6 | -63.8 | -29.7 | 0 | 0 | 0 | 112.1 | W1098 F1102 S1132 T1139 W1140 L1143 | W1098-F1135 HydrophobicContact CD2-CE1 4.23Å; W1098-F1135 HydrophobicContact CE3-CD1 4.28Å; W1098-F1135 AromaticContact CE3-CE1 3.2Å; W1098-F1135 HydrophobicContact CE3-CE1 3.2Å; W1098-F1135 AromaticContact CE3-CZ 3.64Å; W1098-F1135 HydrophobicContact CE3-CZ 3.64Å; W1098-F1135 HydrophobicContact CH2-CE1 4.49Å; W1098-F1135 HydrophobicContact CZ3-CD1 4.1Å; W1098-F1135 AromaticContact CZ3-CE1 3.3Å; W1098-F1135 HydrophobicContact CZ3-CE1 3.3Å; W1098-F1135 AromaticContact CZ3-CZ 3.74Å; W1098-F1135 HydrophobicContact CZ3-CZ 3.74Å; F1102-F1135 HydrophobicContact CE2-CE1 4.08Å; F1102-F1135 HydrophobicContact CE2-CE2 4.4Å; F1102-F1135 AromaticContact CE2-CZ 3.47Å; F1102-F1135 HydrophobicContact CE2-CZ 3.47Å; F1102-F1135 VanDerWaalsContact CE2-CZ 3.47Å; F1102-F1135 AromaticContact CZ-CZ 3.73Å; F1102-F1135 HydrophobicContact CZ-CZ 3.73Å; S1132-F1135 VanDerWaalsContact CA-CD2 3.47Å; S1132-F1135 VanDerWaalsContact CA-CE2 3.47Å; S1132-F1135 PolarHBondContact O-N 2.73Å; F1135-T1139 HydrophobicContact CB-CG2 4.26Å; F1135-T1139 HydrophobicContact CD1-CG2 3.42Å; F1135-T1139 VanDerWaalsContact CD1-CG2 3.42Å; F1135-T1139 HydrophobicContact CE1-CG2 3.86Å; F1135-T1139 HydrophobicContact CG-CG2 3.9Å; F1135-W1140 VanDerWaalsContact CB-CD1 3.47Å; F1135-W1140 HydrophobicContact CB-CD2 4.46Å; F1135-W1140 HydrophobicContact CB-CG 4.09Å; F1135-W1140 HydrophobicContact CD2-CD2 4.03Å; F1135-W1140 AromaticContact CD2-CE2 3.74Å; F1135-W1140 HydrophobicContact CD2-CE3 4.49Å; F1135-W1140 HydrophobicContact CD2-CG 4.47Å; F1135-W1140 HydrophobicContact CD2-CH2 4.46Å; F1135-W1140 HydrophobicContact CD2-CZ2 4.01Å; F1135-W1140 AromaticContact CD2-NE1 3.94Å; F1135-L1143 HydrophobicContact CD2-CD2 4.4Å; F1135-L1143 HydrophobicContact CE2-CD2 3.85Å | ||
| 1136 | D | 81.6 | Confident | 85.3 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | trans | -81.4 | 168.8 | 162.1 | 64.6 | -33.4 | 0 | 0 | 0 | 111.5 | K1095 D1138 T1139 W1140 | K1095-D1136 VanDerWaalsContact CE-OD1 3.24Å; K1095-D1136 WeakPolarHBondContact CE-OD1 3.38Å; K1095-D1136 WeakPolarHBondContact CE-OD2 3.41Å; K1095-D1136 VanDerWaalsContact NZ-CG 3.31Å; K1095-D1136 IonicContact NZ-OD1 3.91Å; K1095-D1136 PolarHBondContact NZ-OD1 3.18Å; K1095-D1136 IonicContact NZ-OD2 4Å; K1095-D1136 PolarHBondContact NZ-OD2 3.38Å; D1136-D1138 VanDerWaalsContact C-N 3.27Å; D1136-D1138 PolarHBondContact O-N 3.1Å; D1136-T1139 PolarHBondContact O-N 3.21Å; D1136-T1139 VanDerWaalsContact O-N 3.09Å; D1136-T1139 VanDerWaalsContact OD1-CB 3.32Å; D1136-T1139 WeakPolarHBondContact OD1-CB 3.24Å; D1136-T1139 PolarHBondContact OD1-OG1 3.05Å; D1136-W1140 PolarHBondContact O-N 2.69Å | ||
| 1137 | E | 80 | Confident | 85.4 | Confident | 106 Ų | 106 | 46.8 Ų | 46.8 | 50% | 0.495 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.4 | -35 | -172.5 | -61.6 | -175.5 | 158.2 | 0 | 0 | 113.3 | S1141 T1211 L1212 | E1137-S1141 VanDerWaalsContact O-CB 3.28Å; E1137-S1141 WeakPolarHBondContact O-CB 3.49Å; E1137-S1141 PolarHBondContact O-N 3.07Å; E1137-T1211 WeakPolarHBondContact OE1-CB 3.32Å; E1137-T1211 PolarHBondContact OE1-OG1 3.25Å; E1137-L1212 HydrophobicContact CB-CD2 3.91Å; E1137-L1212 HydrophobicContact CG-CD2 4.36Å; E1137-L1212 WeakPolarHBondContact O-CD2 3.46Å |
| 1138 | D | 80.9 | Confident | 85.7 | Confident | 105 Ų | 105 | 46.8 Ų | 46.8 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -72.5 | -36.5 | 177.4 | -172.8 | 47 | 0 | 0 | 0 | 112.8 | D1136 S1141 T1142 | D1136-D1138 VanDerWaalsContact C-N 3.27Å; D1136-D1138 PolarHBondContact O-N 3.1Å; D1138-S1141 PolarHBondContact O-N 3.46Å; D1138-T1142 WeakPolarHBondContact O-CB 3.46Å; D1138-T1142 PolarHBondContact O-N 3.18Å; D1138-T1142 PolarHBondContact O-OG1 3.47Å |
| 1139 | T | 84.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | I1099 F1135 D1136 T1142 L1143 | I1099-T1139 HydrophobicContact CG1-CG2 4.5Å; F1135-T1139 HydrophobicContact CB-CG2 4.26Å; F1135-T1139 HydrophobicContact CD1-CG2 3.42Å; F1135-T1139 VanDerWaalsContact CD1-CG2 3.42Å; F1135-T1139 HydrophobicContact CE1-CG2 3.86Å; F1135-T1139 HydrophobicContact CG-CG2 3.9Å; D1136-T1139 PolarHBondContact O-N 3.21Å; D1136-T1139 VanDerWaalsContact O-N 3.09Å; D1136-T1139 VanDerWaalsContact OD1-CB 3.32Å; D1136-T1139 WeakPolarHBondContact OD1-CB 3.24Å; D1136-T1139 PolarHBondContact OD1-OG1 3.05Å; T1139-T1142 PolarHBondContact O-N 3.5Å; T1139-L1143 WeakPolarHBondContact O-CB 3.27Å; T1139-L1143 PolarHBondContact O-N 2.92Å |
| 1140 | W | 88.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.8 | -93.6 | 120.9 | 0 | 0 | 0 | 112.9 | I1128 S1132 F1135 D1136 T1142 L1143 L1144 K1205 H1208 L1209 L1212 | I1128-W1140 HydrophobicContact CG2-CH2 4.32Å; S1132-W1140 VanDerWaalsContact CB-CZ2 3.49Å; F1135-W1140 VanDerWaalsContact CB-CD1 3.47Å; F1135-W1140 HydrophobicContact CB-CD2 4.46Å; F1135-W1140 HydrophobicContact CB-CG 4.09Å; F1135-W1140 HydrophobicContact CD2-CD2 4.03Å; F1135-W1140 AromaticContact CD2-CE2 3.74Å; F1135-W1140 HydrophobicContact CD2-CE3 4.49Å; F1135-W1140 HydrophobicContact CD2-CG 4.47Å; F1135-W1140 HydrophobicContact CD2-CH2 4.46Å; F1135-W1140 HydrophobicContact CD2-CZ2 4.01Å; F1135-W1140 AromaticContact CD2-NE1 3.94Å; D1136-W1140 PolarHBondContact O-N 2.69Å; W1140-T1142 PolarHBondContact O-N 2.87Å; W1140-L1143 HydrophobicContact CE3-CD2 3.97Å; W1140-L1143 HydrophobicContact CZ3-CD2 3.82Å; W1140-L1143 PolarHBondContact O-N 3.41Å; W1140-L1144 WeakPolarHBondContact O-CG 3.46Å; W1140-L1144 PolarHBondContact O-N 3.12Å; W1140-K1205 HydrophobicContact CH2-CB 3.77Å; W1140-K1205 HydrophobicContact CH2-CG 3.9Å; W1140-K1205 HydrophobicContact CZ2-CB 3.46Å; W1140-K1205 VanDerWaalsContact CZ2-CB 3.46Å; W1140-K1205 HydrophobicContact CZ2-CG 3.73Å; W1140-H1208 AromaticContact NE1-CG 3.95Å; W1140-L1209 HydrophobicContact CD2-CD2 3.86Å; W1140-L1209 HydrophobicContact CE3-CD2 3.66Å; W1140-L1209 HydrophobicContact CG-CD2 4.38Å; W1140-L1209 HydrophobicContact CH2-CD2 4.45Å; W1140-L1209 HydrophobicContact CZ3-CD2 4Å; W1140-L1212 HydrophobicContact CB-CD1 4.4Å; W1140-L1212 HydrophobicContact CB-CD2 4.2Å |
| 1141 | S | 85.8 | Confident | 86.6 | Confident | 39 Ų | 39 | 40.1 Ų | 40.1 | 27% | 0.273 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 175 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | E1137 D1138 L1143 L1144 W1145 | E1137-S1141 VanDerWaalsContact O-CB 3.28Å; E1137-S1141 WeakPolarHBondContact O-CB 3.49Å; E1137-S1141 PolarHBondContact O-N 3.07Å; D1138-S1141 PolarHBondContact O-N 3.46Å; S1141-L1143 PolarHBondContact O-N 2.8Å; S1141-L1144 PolarHBondContact O-N 3.4Å; S1141-W1145 WeakPolarHBondContact O-CB 3.45Å; S1141-W1145 PolarHBondContact O-N 3.3Å |
| 1142 | T | 87.3 | Confident | 87.1 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.1 | -75 | 0 | 0 | 0 | 0 | 112.4 | I1099 D1138 T1139 W1140 K1146 | I1099-T1142 HydrophobicContact CD1-CG2 3.75Å; I1099-T1142 HydrophobicContact CG1-CG2 4.11Å; I1099-T1142 HydrophobicContact CG2-CG2 4.09Å; D1138-T1142 WeakPolarHBondContact O-CB 3.46Å; D1138-T1142 PolarHBondContact O-N 3.18Å; D1138-T1142 PolarHBondContact O-OG1 3.47Å; T1139-T1142 PolarHBondContact O-N 3.5Å; W1140-T1142 PolarHBondContact O-N 2.87Å; T1142-K1146 HydrophobicContact CG2-CB 4.46Å; T1142-K1146 HydrophobicContact CG2-CD 3.9Å; T1142-K1146 HydrophobicContact CG2-CG 4.29Å; T1142-K1146 VanDerWaalsContact O-CB 3.29Å; T1142-K1146 WeakPolarHBondContact O-CB 3.12Å; T1142-K1146 PolarHBondContact O-N 3.11Å; T1142-K1146 PolarHBondContact OG1-NZ 3.39Å |
| 1143 | L | 89.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -62.3 | -46 | 177.5 | -179.9 | 61.5 | 0 | 0 | 0 | 111.9 | F1102 I1128 F1135 T1139 W1140 S1141 I1147 L1148 | F1102-L1143 HydrophobicContact CB-CD1 4.04Å; F1102-L1143 HydrophobicContact CD2-CD1 3.91Å; F1102-L1143 HydrophobicContact CG-CD1 4.01Å; I1128-L1143 HydrophobicContact CD1-CD1 4.1Å; I1128-L1143 HydrophobicContact CD1-CD2 4.26Å; I1128-L1143 HydrophobicContact CG1-CD1 4.5Å; I1128-L1143 HydrophobicContact CG1-CD2 4.21Å; I1128-L1143 HydrophobicContact CG2-CD2 4.12Å; F1135-L1143 HydrophobicContact CD2-CD2 4.4Å; F1135-L1143 HydrophobicContact CE2-CD2 3.85Å; T1139-L1143 WeakPolarHBondContact O-CB 3.27Å; T1139-L1143 PolarHBondContact O-N 2.92Å; W1140-L1143 HydrophobicContact CE3-CD2 3.97Å; W1140-L1143 HydrophobicContact CZ3-CD2 3.82Å; W1140-L1143 PolarHBondContact O-N 3.41Å; S1141-L1143 PolarHBondContact O-N 2.8Å; L1143-I1147 HydrophobicContact CD1-CB 4.26Å; L1143-I1147 HydrophobicContact CD1-CD1 4.05Å; L1143-I1147 WeakPolarHBondContact O-CB 3.21Å; L1143-I1147 PolarHBondContact O-N 2.73Å; L1143-L1148 HydrophobicContact CD1-CG 4.37Å; L1143-L1148 HydrophobicContact CG-CD1 4.1Å; L1143-L1148 HydrophobicContact CG-CG 4.31Å; L1143-L1148 PolarHBondContact O-N 2.63Å |
| 1144 | L | 90.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -65.5 | -55.5 | 177.9 | -73.2 | 168.3 | 0 | 0 | 0 | 112 | W1140 S1141 L1148 F1149 F1202 L1209 L1212 | W1140-L1144 WeakPolarHBondContact O-CG 3.46Å; W1140-L1144 PolarHBondContact O-N 3.12Å; S1141-L1144 PolarHBondContact O-N 3.4Å; L1144-L1148 HydrophobicContact CD2-CD1 4.2Å; L1144-L1148 PolarHBondContact O-N 2.94Å; L1144-F1149 HydrophobicContact CB-CD2 4.34Å; L1144-F1149 HydrophobicContact CB-CE2 4.03Å; L1144-F1149 HydrophobicContact CD2-CE2 4.36Å; L1144-F1149 HydrophobicContact CD2-CZ 4.24Å; L1144-F1149 WeakPolarHBondContact O-CD2 3.49Å; L1144-F1149 PolarHBondContact O-N 3.29Å; L1144-F1202 HydrophobicContact CD2-CE2 3.88Å; L1144-F1202 HydrophobicContact CD2-CZ 4.33Å; L1144-L1209 HydrophobicContact CD1-CD2 3.91Å; L1144-L1212 HydrophobicContact CD1-CD1 3.77Å |
| 1145 | W | 91.2 | Very high | 88.8 | Confident | 92 Ų | 92 | 37.9 Ų | 37.9 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | I | π-helix | trans | -80.7 | -31.5 | -168.9 | -67.9 | 113.2 | 0 | 0 | 0 | 114.5 | S1141 F1149 P1150 D1214 K1217 I1221 | S1141-W1145 WeakPolarHBondContact O-CB 3.45Å; S1141-W1145 PolarHBondContact O-N 3.3Å; W1145-F1149 HydrophobicContact CD2-CD2 4.31Å; W1145-F1149 HydrophobicContact CD2-CE2 4.48Å; W1145-F1149 AromaticContact CE3-CD2 3.94Å; W1145-F1149 HydrophobicContact CE3-CD2 3.94Å; W1145-F1149 HydrophobicContact CE3-CE2 4.37Å; W1145-F1149 HydrophobicContact CZ3-CD2 4.24Å; W1145-F1149 HydrophobicContact CZ3-CE2 4.46Å; W1145-P1150 WeakPolarHBondContact O-CD 3.34Å; W1145-P1150 WeakPolarHBondContact O-CG 3.35Å; W1145-D1214 HydrophobicContact CZ2-CB 4.48Å; W1145-K1217 HydrophobicContact CH2-CB 4.41Å; W1145-K1217 HydrophobicContact CZ2-CB 4.47Å; W1145-I1221 HydrophobicContact CH2-CD1 3.41Å; W1145-I1221 VanDerWaalsContact CH2-CD1 3.41Å; W1145-I1221 HydrophobicContact CZ3-CD1 3.46Å; W1145-I1221 VanDerWaalsContact CZ3-CD1 3.46Å |
| 1146 | K | 88.1 | Confident | 89 | Confident | 140 Ų | 140 | 38.3 Ų | 38.3 | 61% | 0.609 | 19% | 0.192 | S | C | * | . | I | π-helix | trans | -98.1 | -18.8 | -179.3 | -53.1 | -170.7 | -163.8 | 141.2 | 0 | 113.8 | T1142 | T1142-K1146 HydrophobicContact CG2-CB 4.46Å; T1142-K1146 HydrophobicContact CG2-CD 3.9Å; T1142-K1146 HydrophobicContact CG2-CG 4.29Å; T1142-K1146 VanDerWaalsContact O-CB 3.29Å; T1142-K1146 WeakPolarHBondContact O-CB 3.12Å; T1142-K1146 PolarHBondContact O-N 3.11Å; T1142-K1146 PolarHBondContact OG1-NZ 3.39Å |
| 1147 | I | 92.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -121.6 | -63.9 | -173.9 | -50.4 | -179 | 0 | 0 | 0 | 111.7 | I1099 F1102 H1103 A1106 L1143 L1151 | I1099-I1147 HydrophobicContact CG2-CD1 4.37Å; F1102-I1147 HydrophobicContact CB-CD1 3.64Å; F1102-I1147 HydrophobicContact CB-CG2 4.48Å; H1103-I1147 HydrophobicContact CB-CD1 4.26Å; A1106-I1147 HydrophobicContact CB-CG2 3.56Å; L1143-I1147 HydrophobicContact CD1-CB 4.26Å; L1143-I1147 HydrophobicContact CD1-CD1 4.05Å; L1143-I1147 WeakPolarHBondContact O-CB 3.21Å; L1143-I1147 PolarHBondContact O-N 2.73Å; I1147-L1151 WeakPolarHBondContact O-CB 3.39Å; I1147-L1151 PolarHBondContact O-N 3.38Å |
| 1148 | L | 93.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -71.5 | -51.4 | -168.1 | -64.7 | 179.4 | 0 | 0 | 0 | 114.4 | F1125 I1128 L1143 L1144 L1151 L1152 V1198 | F1125-L1148 HydrophobicContact CE1-CD2 3.9Å; F1125-L1148 HydrophobicContact CZ-CD2 4.41Å; I1128-L1148 HydrophobicContact CD1-CD1 4.41Å; I1128-L1148 HydrophobicContact CD1-CD2 3.96Å; L1143-L1148 HydrophobicContact CD1-CG 4.37Å; L1143-L1148 HydrophobicContact CG-CD1 4.1Å; L1143-L1148 HydrophobicContact CG-CG 4.31Å; L1143-L1148 PolarHBondContact O-N 2.63Å; L1144-L1148 HydrophobicContact CD2-CD1 4.2Å; L1144-L1148 PolarHBondContact O-N 2.94Å; L1148-L1151 WeakPolarHBondContact O-CB 3.41Å; L1148-L1151 PolarHBondContact O-N 3.17Å; L1148-L1152 PolarHBondContact O-N 3.1Å; L1148-V1198 HydrophobicContact CB-CG2 4.26Å; L1148-V1198 HydrophobicContact CD2-CG2 4.35Å |
| 1149 | F | 93.9 | Very high | 90 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.1 | -60.7 | -48.8 | 0 | 0 | 0 | 113 | L1144 W1145 L1151 L1152 S1153 F1202 C1218 I1221 | L1144-F1149 HydrophobicContact CB-CD2 4.34Å; L1144-F1149 HydrophobicContact CB-CE2 4.03Å; L1144-F1149 HydrophobicContact CD2-CE2 4.36Å; L1144-F1149 HydrophobicContact CD2-CZ 4.24Å; L1144-F1149 WeakPolarHBondContact O-CD2 3.49Å; L1144-F1149 PolarHBondContact O-N 3.29Å; W1145-F1149 HydrophobicContact CD2-CD2 4.31Å; W1145-F1149 HydrophobicContact CD2-CE2 4.48Å; W1145-F1149 AromaticContact CE3-CD2 3.94Å; W1145-F1149 HydrophobicContact CE3-CD2 3.94Å; W1145-F1149 HydrophobicContact CE3-CE2 4.37Å; W1145-F1149 HydrophobicContact CZ3-CD2 4.24Å; W1145-F1149 HydrophobicContact CZ3-CE2 4.46Å; F1149-L1151 VanDerWaalsContact C-N 3.31Å; F1149-L1151 PolarHBondContact O-N 3.21Å; F1149-L1152 HydrophobicContact CD1-CD1 4.41Å; F1149-L1152 PolarHBondContact O-N 3.31Å; F1149-S1153 WeakPolarHBondContact O-CB 3.36Å; F1149-S1153 PolarHBondContact O-N 3.07Å; F1149-S1153 PolarHBondContact O-OG 3.19Å; F1149-F1202 HydrophobicContact CZ-CE2 4.44Å; F1149-F1202 HydrophobicContact CZ-CZ 4.1Å; F1149-C1218 HydrophobicContact CE2-CB 4.26Å; F1149-C1218 HydrophobicContact CZ-CB 4.02Å; F1149-I1221 HydrophobicContact CD1-CG2 3.94Å; F1149-I1221 HydrophobicContact CE1-CG2 4.06Å; F1149-I1221 HydrophobicContact CG-CG2 4.19Å; F1149-I1221 HydrophobicContact CZ-CG2 4.39Å |
| 1150 | P | 93.6 | Very high | 89.9 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 25% | 0.253 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 169.8 | -27.7 | 38.2 | 0 | 0 | 0 | 113.5 | W1145 S1153 K1154 | W1145-P1150 WeakPolarHBondContact O-CD 3.34Å; W1145-P1150 WeakPolarHBondContact O-CG 3.35Å; P1150-S1153 PolarHBondContact O-N 3.25Å; P1150-K1154 WeakPolarHBondContact O-CB 3.37Å; P1150-K1154 WeakPolarHBondContact O-CG 3.2Å; P1150-K1154 PolarHBondContact O-N 3.31Å |
| 1151 | L | 93.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -51.4 | 175.5 | 176.4 | 62.2 | 0 | 0 | 0 | 111.2 | A1106 C1109 L1110 L1124 I1147 L1148 F1149 S1153 K1154 V1155 T1194 | A1106-L1151 HydrophobicContact CB-CD1 4.49Å; A1106-L1151 HydrophobicContact CB-CD2 4.26Å; C1109-L1151 HydrophobicContact CB-CD1 3.7Å; C1109-L1151 HydrophobicContact CB-CD2 4.31Å; L1110-L1151 HydrophobicContact CD2-CD1 4Å; L1110-L1151 HydrophobicContact CG-CD1 4.17Å; L1124-L1151 HydrophobicContact CD2-CD2 3.58Å; I1147-L1151 WeakPolarHBondContact O-CB 3.39Å; I1147-L1151 PolarHBondContact O-N 3.38Å; L1148-L1151 WeakPolarHBondContact O-CB 3.41Å; L1148-L1151 PolarHBondContact O-N 3.17Å; F1149-L1151 VanDerWaalsContact C-N 3.31Å; F1149-L1151 PolarHBondContact O-N 3.21Å; L1151-S1153 VanDerWaalsContact C-N 3.28Å; L1151-S1153 PolarHBondContact O-N 2.97Å; L1151-K1154 PolarHBondContact O-N 3.5Å; L1151-V1155 HydrophobicContact CD1-CG2 3.73Å; L1151-V1155 HydrophobicContact CG-CG2 4.31Å; L1151-V1155 WeakPolarHBondContact O-CB 3.41Å; L1151-V1155 VanDerWaalsContact O-CG2 3.3Å; L1151-V1155 WeakPolarHBondContact O-CG2 3.43Å; L1151-V1155 PolarHBondContact O-N 2.94Å; L1151-T1194 HydrophobicContact CD2-CG2 4.08Å; L1151-T1194 HydrophobicContact CG-CG2 4.25Å |
| 1152 | L | 92.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.7 | -46.3 | 175.8 | -71.3 | 177.2 | 0 | 0 | 0 | 111.5 | L1148 F1149 H1156 V1198 | L1148-L1152 PolarHBondContact O-N 3.1Å; F1149-L1152 HydrophobicContact CD1-CD1 4.41Å; F1149-L1152 PolarHBondContact O-N 3.31Å; L1152-H1156 VanDerWaalsContact O-CB 3.27Å; L1152-H1156 WeakPolarHBondContact O-CB 3.48Å; L1152-H1156 PolarHBondContact O-N 3.43Å; L1152-V1198 HydrophobicContact CD1-CB 4.27Å; L1152-V1198 HydrophobicContact CD1-CG1 4.21Å; L1152-V1198 HydrophobicContact CD1-CG2 4.04Å; L1152-V1198 HydrophobicContact CD2-CG2 4.23Å; L1152-V1198 HydrophobicContact CG-CG2 4.15Å |
| 1153 | S | 91.5 | Very high | 88.5 | Confident | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | F1149 P1150 L1151 H1156 N1157 H1225 | F1149-S1153 WeakPolarHBondContact O-CB 3.36Å; F1149-S1153 PolarHBondContact O-N 3.07Å; F1149-S1153 PolarHBondContact O-OG 3.19Å; P1150-S1153 PolarHBondContact O-N 3.25Å; L1151-S1153 VanDerWaalsContact C-N 3.28Å; L1151-S1153 PolarHBondContact O-N 2.97Å; S1153-H1156 PolarHBondContact O-N 2.91Å; S1153-N1157 PolarHBondContact O-N 3.17Å; S1153-N1157 PolarHBondContact O-ND2 3.31Å; S1153-H1225 PolarHBondContact OG-CE1 3.36Å |
| 1154 | K | 91.9 | Very high | 87.3 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.3 | -73.2 | 174.4 | -176.7 | 179.2 | 0 | 111.9 | L1110 P1150 L1151 N1157 L1158 | L1110-K1154 HydrophobicContact CD1-CB 4.18Å; L1110-K1154 HydrophobicContact CD1-CD 3.5Å; L1110-K1154 HydrophobicContact CD1-CG 4.49Å; L1110-K1154 HydrophobicContact CD2-CB 3.7Å; P1150-K1154 WeakPolarHBondContact O-CB 3.37Å; P1150-K1154 WeakPolarHBondContact O-CG 3.2Å; P1150-K1154 PolarHBondContact O-N 3.31Å; L1151-K1154 PolarHBondContact O-N 3.5Å; K1154-N1157 PolarHBondContact O-N 3.13Å; K1154-L1158 WeakPolarHBondContact O-CB 3.5Å; K1154-L1158 VanDerWaalsContact O-CG 3.31Å; K1154-L1158 WeakPolarHBondContact O-CG 3.26Å; K1154-L1158 PolarHBondContact O-N 3.11Å |
| 1155 | V | 91.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L1110 L1151 L1158 Y1159 W1187 T1190 V1191 T1194 | L1110-V1155 HydrophobicContact CD2-CG2 3.65Å; L1151-V1155 HydrophobicContact CD1-CG2 3.73Å; L1151-V1155 HydrophobicContact CG-CG2 4.31Å; L1151-V1155 WeakPolarHBondContact O-CB 3.41Å; L1151-V1155 VanDerWaalsContact O-CG2 3.3Å; L1151-V1155 WeakPolarHBondContact O-CG2 3.43Å; L1151-V1155 PolarHBondContact O-N 2.94Å; V1155-L1158 PolarHBondContact O-N 3.08Å; V1155-Y1159 PolarHBondContact O-N 3Å; V1155-W1187 HydrophobicContact CG1-CE3 4.19Å; V1155-W1187 HydrophobicContact CG1-CZ3 4.35Å; V1155-W1187 HydrophobicContact CG2-CZ3 4.48Å; V1155-T1190 HydrophobicContact CG1-CG2 3.78Å; V1155-T1190 HydrophobicContact CG2-CG2 4.28Å; V1155-V1191 HydrophobicContact CG1-CB 4.43Å; V1155-V1191 HydrophobicContact CG1-CG2 3.75Å; V1155-T1194 HydrophobicContact CG2-CG2 4.39Å |
| 1156 | H | 87.4 | Confident | 83.5 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 11% | 0.111 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 174.4 | -175.5 | 78.6 | 0 | 0 | 0 | 112.4 | L1152 S1153 L1158 Y1159 Q1160 V1228 M1232 | L1152-H1156 VanDerWaalsContact O-CB 3.27Å; L1152-H1156 WeakPolarHBondContact O-CB 3.48Å; L1152-H1156 PolarHBondContact O-N 3.43Å; S1153-H1156 PolarHBondContact O-N 2.91Å; H1156-L1158 PolarHBondContact O-N 3.28Å; H1156-Y1159 WeakPolarHBondContact O-CB 3.4Å; H1156-Y1159 PolarHBondContact O-N 3.4Å; H1156-Q1160 PolarHBondContact NE2-NE2 3.06Å; H1156-Q1160 PolarHBondContact O-N 3.38Å; H1156-V1228 VanDerWaalsContact CE1-CG1 3.47Å; H1156-V1228 WeakPolarHBondContact CE1-CG1 3.43Å; H1156-M1232 PolarHBondContact CE1-SD 3.19Å; H1156-M1232 PolarHBondContact ND1-SD 3.38Å; H1156-M1232 VanDerWaalsContact ND1-SD 3.4Å |
| 1157 | N | 88.6 | Confident | 81.5 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 177.4 | -67.4 | -14.2 | 0 | 0 | 0 | 112.6 | S1153 K1154 Q1160 S1161 | S1153-N1157 PolarHBondContact O-N 3.17Å; S1153-N1157 PolarHBondContact O-ND2 3.31Å; K1154-N1157 PolarHBondContact O-N 3.13Å; N1157-Q1160 PolarHBondContact O-N 3.23Å; N1157-S1161 PolarHBondContact O-N 3.3Å; N1157-S1161 VanDerWaalsContact O-N 3.14Å; N1157-S1161 PolarHBondContact O-OG 2.92Å |
| 1158 | L | 88 | Confident | 79.5 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 32% | 0.319 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.1 | -30.5 | 174.8 | -70.8 | 173.1 | 0 | 0 | 0 | 112.5 | L1110 K1154 V1155 H1156 S1161 A1162 W1187 | L1110-L1158 HydrophobicContact CB-CD1 4.31Å; L1110-L1158 HydrophobicContact CD2-CD1 3.8Å; K1154-L1158 WeakPolarHBondContact O-CB 3.5Å; K1154-L1158 VanDerWaalsContact O-CG 3.31Å; K1154-L1158 WeakPolarHBondContact O-CG 3.26Å; K1154-L1158 PolarHBondContact O-N 3.11Å; V1155-L1158 PolarHBondContact O-N 3.08Å; H1156-L1158 PolarHBondContact O-N 3.28Å; L1158-S1161 PolarHBondContact O-OG 2.94Å; L1158-A1162 WeakPolarHBondContact O-CB 3.43Å; L1158-A1162 PolarHBondContact O-N 2.84Å; L1158-W1187 HydrophobicContact CB-CD2 4.06Å; L1158-W1187 HydrophobicContact CB-CE3 3.99Å; L1158-W1187 HydrophobicContact CB-CH2 3.86Å; L1158-W1187 HydrophobicContact CB-CZ2 3.91Å; L1158-W1187 HydrophobicContact CB-CZ3 3.89Å; L1158-W1187 HydrophobicContact CD1-CH2 3.38Å; L1158-W1187 HydrophobicContact CD1-CZ2 3.9Å; L1158-W1187 HydrophobicContact CD1-CZ3 3.9Å; L1158-W1187 HydrophobicContact CG-CH2 4.21Å; L1158-W1187 HydrophobicContact CG-CZ2 4.39Å |
| 1159 | Y | 86.8 | Confident | 76.8 | Confident | 19 Ų | 19 | 70 Ų | 70 | 8% | 0.075 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.9 | -51.3 | 167.6 | 172.6 | -89.5 | 0 | 0 | 0 | 111.7 | V1155 H1156 S1161 A1162 A1184 W1187 A1188 V1191 M1232 D1233 S1234 I1237 | V1155-Y1159 PolarHBondContact O-N 3Å; H1156-Y1159 WeakPolarHBondContact O-CB 3.4Å; H1156-Y1159 PolarHBondContact O-N 3.4Å; Y1159-S1161 PolarHBondContact O-N 3.43Å; Y1159-A1162 VanDerWaalsContact O-CB 3.31Å; Y1159-A1162 WeakPolarHBondContact O-CB 3.41Å; Y1159-A1162 PolarHBondContact O-N 3.19Å; Y1159-A1184 WeakPolarHBondContact CD2-O 3.46Å; Y1159-A1184 HydrophobicContact CE2-CB 4.5Å; Y1159-A1184 VanDerWaalsContact CE2-O 3.27Å; Y1159-A1184 WeakPolarHBondContact CE2-O 3.34Å; Y1159-W1187 HydrophobicContact CD2-CB 3.95Å; Y1159-W1187 HydrophobicContact CG-CB 4.49Å; Y1159-A1188 HydrophobicContact CD2-CB 4.25Å; Y1159-A1188 HydrophobicContact CE2-CB 3.87Å; Y1159-V1191 HydrophobicContact CG-CG2 4.38Å; Y1159-M1232 HydrophobicContact CD1-CE 3.04Å; Y1159-M1232 HydrophobicContact CE1-CE 3.25Å; Y1159-M1232 HydrophobicContact CG-CE 3.75Å; Y1159-D1233 WeakPolarHBondContact CE1-OD1 3.34Å; Y1159-D1233 PolarHBondContact OH-OD1 3.46Å; Y1159-S1234 WeakPolarHBondContact OH-CB 3.34Å; Y1159-I1237 HydrophobicContact CD2-CD1 4.03Å; Y1159-I1237 HydrophobicContact CE1-CD1 4.3Å; Y1159-I1237 HydrophobicContact CE2-CD1 3.73Å; Y1159-I1237 HydrophobicContact CG-CD1 4.42Å |
| 1160 | Q | 81.8 | Confident | 74.5 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.5 | -29.5 | -178 | -71.2 | -170.4 | 3.9 | 0 | 0 | 113.2 | H1156 N1157 | H1156-Q1160 PolarHBondContact NE2-NE2 3.06Å; H1156-Q1160 PolarHBondContact O-N 3.38Å; N1157-Q1160 PolarHBondContact O-N 3.23Å |
| 1161 | S | 81.1 | Confident | 72.3 | Confident | 83 Ų | 83 | 82.5 Ų | 82.5 | 58% | 0.58 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 0.3 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | N1157 L1158 Y1159 | N1157-S1161 PolarHBondContact O-N 3.3Å; N1157-S1161 VanDerWaalsContact O-N 3.14Å; N1157-S1161 PolarHBondContact O-OG 2.92Å; L1158-S1161 PolarHBondContact O-OG 2.94Å; Y1159-S1161 PolarHBondContact O-N 3.43Å |
| 1162 | A | 79.5 | Confident | 69.9 | Low | 15 Ų | 15 | 89.9 Ų | 89.9 | 12% | 0.124 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -76.9 | 129.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1158 Y1159 V1164 A1183 A1184 W1187 | L1158-A1162 WeakPolarHBondContact O-CB 3.43Å; L1158-A1162 PolarHBondContact O-N 2.84Å; Y1159-A1162 VanDerWaalsContact O-CB 3.31Å; Y1159-A1162 WeakPolarHBondContact O-CB 3.41Å; Y1159-A1162 PolarHBondContact O-N 3.19Å; A1162-V1164 PolarHBondContact O-N 3.09Å; A1162-A1183 HydrophobicContact CB-CB 4.28Å; A1162-A1184 HydrophobicContact CB-CB 4.33Å; A1162-W1187 HydrophobicContact CB-CG 4.32Å |
| 1163 | P | 73.6 | Confident | 67.2 | Low | 67 Ų | 67 | 94.4 Ų | 94.4 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | trans | -64.5 | 134.8 | 176.7 | 25.5 | -32.9 | 0 | 0 | 0 | 111.2 | E1165 A1183 A1184 | P1163-E1165 VanDerWaalsContact C-N 3.28Å; P1163-A1183 HydrophobicContact CG-CB 4.1Å; P1163-A1184 PolarHBondContact O-N 3.02Å | ||
| 1164 | V | 63.9 | Low | 64.7 | Low | 104 Ų | 104 | 99 Ų | 99 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -74.2 | -25.9 | 169.3 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | A1162 T1182 A1184 | A1162-V1164 PolarHBondContact O-N 3.09Å; V1164-T1182 WeakPolarHBondContact O-CG2 3.39Å; V1164-A1184 HydrophobicContact CG2-CB 4.32Å |
| 1165 | E | 49.9 | Very low | 62.2 | Low | 165 Ų | 165 | 101.2 Ų | 101.2 | 77% | 0.771 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -74.6 | 149.8 | -179.3 | -63.6 | -174.8 | 161.2 | 0 | 0 | 113.2 | P1163 V1167 | P1163-E1165 VanDerWaalsContact C-N 3.28Å; E1165-V1167 PolarHBondContact O-N 2.83Å |
| 1166 | K | 50.6 | Low | 59.9 | Low | 136 Ų | 136 | 107.3 Ų | 107.3 | 59% | 0.591 | 59% | 0.594 | S | S | * | * | trans | -78.4 | 117.6 | -174.9 | -67.7 | -179.7 | 177.6 | 179.1 | 0 | 111 | G1168 | K1166-G1168 PolarHBondContact O-N 3.32Å; K1166-G1168 VanDerWaalsContact O-N 3.12Å | ||
| 1167 | V | 46.4 | Very low | 57.9 | Low | 136 Ų | 136 | 112.8 Ų | 112.8 | 82% | 0.824 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -79.8 | 95.2 | 174.3 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | E1165 | E1165-V1167 PolarHBondContact O-N 2.83Š|
| 1168 | G | 50 | Low | 55.8 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 62% | 0.619 | 62% | 0.62 | S | S | * | * | trans | 116.4 | 95.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | K1166 K1170 | K1166-G1168 PolarHBondContact O-N 3.32Å; K1166-G1168 VanDerWaalsContact O-N 3.12Å; G1168-K1170 PolarHBondContact O-N 3.41Å | ||
| 1169 | D | 38.4 | Very low | 54 | Low | 167 Ų | 167 | 113.3 Ų | 113.3 | 89% | 0.893 | 62% | 0.622 | S | S | * | * | trans | -67.1 | 95.3 | 164.8 | -73.2 | -41.5 | 0 | 0 | 0 | 111.1 | ||||
| 1170 | K | 45 | Very low | 52.5 | Low | 182 Ų | 182 | 121.5 Ų | 121.5 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | trans | -110.9 | 105.5 | 161.4 | -78.8 | -173 | 175.5 | 179.9 | 0 | 108.8 | G1168 N1172 | G1168-K1170 PolarHBondContact O-N 3.41Å; K1170-N1172 PolarHBondContact O-N 3.2Å | ||
| 1171 | P | 46.3 | Very low | 51.4 | Low | 128 Ų | 128 | 120 Ų | 120 | 83% | 0.831 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 0.6 | -159.6 | 27.1 | -36 | 0 | 0 | 0 | 116.5 | ||
| 1172 | N | 43 | Very low | 51.1 | Low | 160 Ų | 160 | 117.2 Ų | 117.2 | 86% | 0.856 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 17 | -173.2 | -73.6 | 0.2 | 0 | 0 | 0 | 114.6 | K1170 L1174 | K1170-N1172 PolarHBondContact O-N 3.2Å; N1172-L1174 PolarHBondContact O-N 3.19Å |
| 1173 | S | 37.1 | Very low | 50.9 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -82.8 | 115.1 | 171 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1174 | L | 38.9 | Very low | 51.2 | Low | 144 Ų | 144 | 115 Ų | 115 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | trans | -46.9 | 133.5 | -178 | -161.7 | 79.1 | 0 | 0 | 0 | 112.3 | N1172 I1176 | N1172-L1174 PolarHBondContact O-N 3.19Å; L1174-I1176 PolarHBondContact O-N 2.84Å | ||
| 1175 | L | 38.6 | Very low | 52.1 | Low | 142 Ų | 142 | 114.3 Ų | 114.3 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | trans | -63.9 | 94.8 | -174.7 | -76.8 | 76.7 | 0 | 0 | 0 | 112.3 | ||||
| 1176 | I | 43.1 | Very low | 53.7 | Low | 127 Ų | 127 | 109 Ų | 109 | 65% | 0.651 | 58% | 0.58 | S | S | * | * | trans | -124.6 | 115.7 | 168.3 | -58.5 | 179.8 | 0 | 0 | 0 | 108.5 | L1174 | L1174-I1176 PolarHBondContact O-N 2.84Š| ||
| 1177 | H | 45.5 | Very low | 55.6 | Low | 140 Ų | 140 | 103.8 Ų | 103.8 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | trans | 45.3 | 68.2 | 166.4 | -107.3 | -81.9 | 0 | 0 | 0 | 117.9 | S1179 R1180 | H1177-S1179 PolarHBondContact O-N 2.78Å; H1177-R1180 PolarHBondContact O-N 3.21Å | ||
| 1178 | H | 44.4 | Very low | 57.6 | Low | 111 Ų | 111 | 97.3 Ų | 97.3 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 0.6 | 178.4 | -61.8 | -38 | 0 | 0 | 0 | 118.2 | ||
| 1179 | S | 50.2 | Low | 59.4 | Low | 52 Ų | 52 | 98.1 Ų | 98.1 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -5.8 | -175.2 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | H1177 K1185 | H1177-S1179 PolarHBondContact O-N 2.78Å; S1179-K1185 WeakPolarHBondContact O-CD 3.44Å; S1179-K1185 WeakPolarHBondContact O-CE 3.27Å; S1179-K1185 PolarHBondContact O-NZ 2.93Å |
| 1180 | R | 55 | Low | 62 | Low | 191 Ų | 191 | 90.4 Ų | 90.4 | 72% | 0.721 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -102.3 | -17.3 | -172 | -90.4 | -175.5 | 146.8 | 145.4 | -2.8 | 116.8 | H1177 | H1177-R1180 PolarHBondContact O-N 3.21Š|
| 1181 | D | 59 | Low | 64.2 | Low | 104 Ų | 104 | 82 Ų | 82 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | trans | -104.9 | 17.8 | -158.4 | -53.3 | -46.6 | 0 | 0 | 0 | 116.6 | ||||
| 1182 | T | 73.7 | Confident | 66.4 | Low | 24 Ų | 24 | 77.5 Ų | 77.5 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | trans | -79.9 | 144.5 | 171.2 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | V1164 A1184 K1185 Q1186 | V1164-T1182 WeakPolarHBondContact O-CG2 3.39Å; T1182-A1184 PolarHBondContact O-N 3.12Å; T1182-K1185 PolarHBondContact O-N 3.38Å; T1182-K1185 WeakPolarHBondContact OG1-CG 3.18Å; T1182-K1185 PolarHBondContact OG1-N 3.41Å; T1182-Q1186 PolarHBondContact O-N 2.9Å | ||
| 1183 | A | 76.9 | Confident | 68.7 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 21% | 0.207 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1162 P1163 K1185 Q1186 W1187 | A1162-A1183 HydrophobicContact CB-CB 4.28Å; P1163-A1183 HydrophobicContact CG-CB 4.1Å; A1183-K1185 PolarHBondContact O-N 3.03Å; A1183-Q1186 PolarHBondContact O-N 3.36Å; A1183-W1187 VanDerWaalsContact O-CD1 3.24Å; A1183-W1187 PolarHBondContact O-N 3.05Å |
| 1184 | A | 79.1 | Confident | 71.4 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.5 | -45.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1159 A1162 P1163 V1164 T1182 W1187 A1188 | Y1159-A1184 WeakPolarHBondContact CD2-O 3.46Å; Y1159-A1184 HydrophobicContact CE2-CB 4.5Å; Y1159-A1184 VanDerWaalsContact CE2-O 3.27Å; Y1159-A1184 WeakPolarHBondContact CE2-O 3.34Å; A1162-A1184 HydrophobicContact CB-CB 4.33Å; P1163-A1184 PolarHBondContact O-N 3.02Å; V1164-A1184 HydrophobicContact CG2-CB 4.32Å; T1182-A1184 PolarHBondContact O-N 3.12Å; A1184-W1187 PolarHBondContact O-N 3.46Å; A1184-A1188 PolarHBondContact O-N 2.9Å |
| 1185 | K | 82.4 | Confident | 73.9 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69 | -37.8 | 178.6 | -76.1 | -173.4 | 175.4 | -151.7 | 0 | 113.4 | S1179 T1182 A1183 W1187 A1188 E1189 | S1179-K1185 WeakPolarHBondContact O-CD 3.44Å; S1179-K1185 WeakPolarHBondContact O-CE 3.27Å; S1179-K1185 PolarHBondContact O-NZ 2.93Å; T1182-K1185 PolarHBondContact O-N 3.38Å; T1182-K1185 WeakPolarHBondContact OG1-CG 3.18Å; T1182-K1185 PolarHBondContact OG1-N 3.41Å; A1183-K1185 PolarHBondContact O-N 3.03Å; K1185-W1187 PolarHBondContact O-N 3.26Å; K1185-A1188 WeakPolarHBondContact O-CB 3.1Å; K1185-A1188 PolarHBondContact O-N 3.06Å; K1185-A1188 VanDerWaalsContact O-N 3.13Å; K1185-E1189 PolarHBondContact O-N 3.49Å |
| 1186 | Q | 84.1 | Confident | 76.5 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.3 | -27.2 | 176.1 | -64.3 | 170.9 | -7.6 | 0 | 0 | 112.2 | P1114 R1117 T1182 A1183 T1190 | P1114-Q1186 HydrophobicContact CB-CB 4.14Å; P1114-Q1186 HydrophobicContact CB-CG 4.32Å; P1114-Q1186 HydrophobicContact CG-CB 3.79Å; P1114-Q1186 HydrophobicContact CG-CG 3.85Å; R1117-Q1186 VanDerWaalsContact NH2-C 3.3Å; R1117-Q1186 PolarHBondContact NH2-O 3.31Å; T1182-Q1186 PolarHBondContact O-N 2.9Å; A1183-Q1186 PolarHBondContact O-N 3.36Å; Q1186-T1190 PolarHBondContact O-OG1 3.05Å |
| 1187 | W | 89.9 | Confident | 78.8 | Confident | 25 Ų | 25 | 49 Ų | 49 | 10% | 0.095 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -78.6 | -34 | 167.9 | -79 | 110.3 | 0 | 0 | 0 | 112.3 | V1155 L1158 Y1159 A1162 A1183 A1184 K1185 E1189 T1190 V1191 | V1155-W1187 HydrophobicContact CG1-CE3 4.19Å; V1155-W1187 HydrophobicContact CG1-CZ3 4.35Å; V1155-W1187 HydrophobicContact CG2-CZ3 4.48Å; L1158-W1187 HydrophobicContact CB-CD2 4.06Å; L1158-W1187 HydrophobicContact CB-CE3 3.99Å; L1158-W1187 HydrophobicContact CB-CH2 3.86Å; L1158-W1187 HydrophobicContact CB-CZ2 3.91Å; L1158-W1187 HydrophobicContact CB-CZ3 3.89Å; L1158-W1187 HydrophobicContact CD1-CH2 3.38Å; L1158-W1187 HydrophobicContact CD1-CZ2 3.9Å; L1158-W1187 HydrophobicContact CD1-CZ3 3.9Å; L1158-W1187 HydrophobicContact CG-CH2 4.21Å; L1158-W1187 HydrophobicContact CG-CZ2 4.39Å; Y1159-W1187 HydrophobicContact CD2-CB 3.95Å; Y1159-W1187 HydrophobicContact CG-CB 4.49Å; A1162-W1187 HydrophobicContact CB-CG 4.32Å; A1183-W1187 VanDerWaalsContact O-CD1 3.24Å; A1183-W1187 PolarHBondContact O-N 3.05Å; A1184-W1187 PolarHBondContact O-N 3.46Å; K1185-W1187 PolarHBondContact O-N 3.26Å; W1187-E1189 PolarHBondContact O-N 3.08Å; W1187-T1190 HydrophobicContact CE3-CG2 4.22Å; W1187-T1190 HydrophobicContact CZ3-CG2 4.17Å; W1187-T1190 CarbonylContact O-C 3.58Å; W1187-T1190 WeakPolarHBondContact O-CA 3.35Å; W1187-T1190 WeakPolarHBondContact O-CB 3.01Å; W1187-T1190 PolarHBondContact O-N 3.16Å; W1187-V1191 WeakPolarHBondContact O-CG2 3.08Å; W1187-V1191 PolarHBondContact O-N 3.04Å |
| 1188 | A | 88.7 | Confident | 81 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y1159 A1184 K1185 T1190 V1191 V1192 I1237 | Y1159-A1188 HydrophobicContact CD2-CB 4.25Å; Y1159-A1188 HydrophobicContact CE2-CB 3.87Å; A1184-A1188 PolarHBondContact O-N 2.9Å; K1185-A1188 WeakPolarHBondContact O-CB 3.1Å; K1185-A1188 PolarHBondContact O-N 3.06Å; K1185-A1188 VanDerWaalsContact O-N 3.13Å; A1188-T1190 PolarHBondContact O-N 3.31Å; A1188-V1191 PolarHBondContact O-N 3.31Å; A1188-V1191 VanDerWaalsContact O-N 3.14Å; A1188-V1192 WeakPolarHBondContact O-CG2 3.38Å; A1188-V1192 PolarHBondContact O-N 3.45Å; A1188-I1237 HydrophobicContact CB-CD1 3.75Å; A1188-I1237 HydrophobicContact CB-CG1 3.83Å |
| 1189 | E | 88 | Confident | 83.2 | Confident | 78 Ų | 78 | 37 Ų | 37 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.1 | -34.9 | 173.9 | -174.1 | 177.3 | -173.1 | 0 | 0 | 111.7 | K1118 K1185 W1187 L1193 | K1118-E1189 WeakPolarHBondContact CD-OE1 3.38Å; K1118-E1189 WeakPolarHBondContact CE-OE1 3.39Å; K1118-E1189 IonicContact NZ-OE1 2.76Å; K1118-E1189 PolarHBondContact NZ-OE1 3.31Å; K1185-E1189 PolarHBondContact O-N 3.49Å; W1187-E1189 PolarHBondContact O-N 3.08Å; E1189-L1193 HydrophobicContact CG-CD1 4.18Å; E1189-L1193 WeakPolarHBondContact O-CB 3.47Å; E1189-L1193 VanDerWaalsContact O-CG 3.26Å; E1189-L1193 WeakPolarHBondContact O-CG 3.49Å; E1189-L1193 PolarHBondContact O-N 3Å |
| 1190 | T | 92.4 | Very high | 85.1 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -39.7 | 177.3 | -46.9 | 0 | 0 | 0 | 0 | 111.7 | R1117 V1155 Q1186 W1187 A1188 T1194 | R1117-T1190 HydrophobicContact CB-CG2 4.24Å; R1117-T1190 PolarHBondContact NE-OG1 3.22Å; V1155-T1190 HydrophobicContact CG1-CG2 3.78Å; V1155-T1190 HydrophobicContact CG2-CG2 4.28Å; Q1186-T1190 PolarHBondContact O-OG1 3.05Å; W1187-T1190 HydrophobicContact CE3-CG2 4.22Å; W1187-T1190 HydrophobicContact CZ3-CG2 4.17Å; W1187-T1190 CarbonylContact O-C 3.58Å; W1187-T1190 WeakPolarHBondContact O-CA 3.35Å; W1187-T1190 WeakPolarHBondContact O-CB 3.01Å; W1187-T1190 PolarHBondContact O-N 3.16Å; A1188-T1190 PolarHBondContact O-N 3.31Å; T1190-T1194 WeakPolarHBondContact O-CB 3.32Å; T1190-T1194 WeakPolarHBondContact O-CG2 3.2Å; T1190-T1194 PolarHBondContact O-N 3.49Å; T1190-T1194 PolarHBondContact O-OG1 2.89Å |
| 1191 | V | 92.6 | Very high | 86.7 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 172.8 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | V1155 Y1159 W1187 A1188 T1194 L1195 T1229 I1237 | V1155-V1191 HydrophobicContact CG1-CB 4.43Å; V1155-V1191 HydrophobicContact CG1-CG2 3.75Å; Y1159-V1191 HydrophobicContact CG-CG2 4.38Å; W1187-V1191 WeakPolarHBondContact O-CG2 3.08Å; W1187-V1191 PolarHBondContact O-N 3.04Å; A1188-V1191 PolarHBondContact O-N 3.31Å; A1188-V1191 VanDerWaalsContact O-N 3.14Å; V1191-T1194 PolarHBondContact O-N 3.44Å; V1191-T1194 PolarHBondContact O-OG1 3.44Å; V1191-L1195 WeakPolarHBondContact O-CB 3.41Å; V1191-L1195 PolarHBondContact O-N 3.23Å; V1191-T1229 HydrophobicContact CG1-CG2 4.08Å; V1191-I1237 HydrophobicContact CB-CD1 4.11Å; V1191-I1237 HydrophobicContact CB-CG1 4.29Å; V1191-I1237 HydrophobicContact CG1-CD1 4.23Å; V1191-I1237 HydrophobicContact CG1-CG1 4.33Å; V1191-I1237 HydrophobicContact CG1-CG2 3.67Å; V1191-I1237 HydrophobicContact CG2-CD1 4.28Å |
| 1192 | V | 92.5 | Very high | 88.1 | Confident | 32 Ų | 32 | 25.7 Ų | 25.7 | 19% | 0.194 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57 | -53.5 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | A1188 T1194 L1195 T1196 I1237 A1240 | A1188-V1192 WeakPolarHBondContact O-CG2 3.38Å; A1188-V1192 PolarHBondContact O-N 3.45Å; V1192-T1194 PolarHBondContact O-N 3.04Å; V1192-L1195 PolarHBondContact O-N 3.39Å; V1192-T1196 HydrophobicContact CG1-CG2 4.44Å; V1192-T1196 WeakPolarHBondContact O-CG2 3.47Å; V1192-T1196 PolarHBondContact O-N 3.04Å; V1192-T1196 PolarHBondContact O-OG1 2.9Å; V1192-I1237 HydrophobicContact CG2-CG1 4.23Å; V1192-A1240 HydrophobicContact CB-CB 4.17Å; V1192-A1240 HydrophobicContact CG1-CB 3.75Å; V1192-A1240 HydrophobicContact CG2-CB 3.73Å |
| 1193 | L | 91.4 | Very high | 88.7 | Confident | 37 Ų | 37 | 25.9 Ų | 25.9 | 19% | 0.194 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | -178.2 | -73.3 | 169 | 0 | 0 | 0 | 113.1 | K1118 C1121 E1189 T1196 G1197 | K1118-L1193 HydrophobicContact CB-CD1 4.32Å; K1118-L1193 HydrophobicContact CD-CD1 4.45Å; K1118-L1193 HydrophobicContact CG-CD1 3.89Å; C1121-L1193 HydrophobicContact CB-CB 4.28Å; E1189-L1193 HydrophobicContact CG-CD1 4.18Å; E1189-L1193 WeakPolarHBondContact O-CB 3.47Å; E1189-L1193 VanDerWaalsContact O-CG 3.26Å; E1189-L1193 WeakPolarHBondContact O-CG 3.49Å; E1189-L1193 PolarHBondContact O-N 3Å; L1193-T1196 PolarHBondContact O-OG1 3.47Å; L1193-T1196 VanDerWaalsContact O-OG1 3.12Å; L1193-G1197 PolarHBondContact O-N 3.07Å |
| 1194 | T | 93.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.1 | -39.8 | 179.6 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | F1125 L1151 V1155 T1190 V1191 V1192 G1197 V1198 | F1125-T1194 HydrophobicContact CE2-CG2 4.26Å; L1151-T1194 HydrophobicContact CD2-CG2 4.08Å; L1151-T1194 HydrophobicContact CG-CG2 4.25Å; V1155-T1194 HydrophobicContact CG2-CG2 4.39Å; T1190-T1194 WeakPolarHBondContact O-CB 3.32Å; T1190-T1194 WeakPolarHBondContact O-CG2 3.2Å; T1190-T1194 PolarHBondContact O-N 3.49Å; T1190-T1194 PolarHBondContact O-OG1 2.89Å; V1191-T1194 PolarHBondContact O-N 3.44Å; V1191-T1194 PolarHBondContact O-OG1 3.44Å; V1192-T1194 PolarHBondContact O-N 3.04Å; T1194-G1197 PolarHBondContact O-N 3.3Å; T1194-V1198 WeakPolarHBondContact O-CG2 3.47Å; T1194-V1198 PolarHBondContact O-N 3.04Å |
| 1195 | L | 92.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -46.1 | 176 | -170.6 | 70.3 | 0 | 0 | 0 | 111.6 | V1191 V1192 S1199 L1226 T1229 | V1191-L1195 WeakPolarHBondContact O-CB 3.41Å; V1191-L1195 PolarHBondContact O-N 3.23Å; V1192-L1195 PolarHBondContact O-N 3.39Å; L1195-S1199 WeakPolarHBondContact O-CB 3.16Å; L1195-S1199 PolarHBondContact O-N 3.47Å; L1195-S1199 PolarHBondContact O-OG 2.94Å; L1195-S1199 VanDerWaalsContact O-OG 3.08Å; L1195-L1226 HydrophobicContact CD1-CD2 3.84Å; L1195-L1226 HydrophobicContact CD1-CG 4.35Å; L1195-L1226 HydrophobicContact CD2-CD2 3.99Å; L1195-L1226 HydrophobicContact CG-CD2 3.98Å; L1195-T1229 HydrophobicContact CD1-CG2 4.42Å; L1195-T1229 HydrophobicContact CD2-CG2 4.09Å; L1195-T1229 WeakPolarHBondContact CD2-OG1 3.3Å |
| 1196 | T | 91.7 | Very high | 89.6 | Confident | 33 Ų | 33 | 24.8 Ų | 24.8 | 20% | 0.202 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | V1192 L1193 S1199 H1200 C1244 | V1192-T1196 HydrophobicContact CG1-CG2 4.44Å; V1192-T1196 WeakPolarHBondContact O-CG2 3.47Å; V1192-T1196 PolarHBondContact O-N 3.04Å; V1192-T1196 PolarHBondContact O-OG1 2.9Å; L1193-T1196 PolarHBondContact O-OG1 3.47Å; L1193-T1196 VanDerWaalsContact O-OG1 3.12Å; T1196-S1199 PolarHBondContact O-N 2.94Å; T1196-H1200 PolarHBondContact O-CD2 3.33Å; T1196-H1200 PolarHBondContact O-N 3.43Å; T1196-C1244 VanDerWaalsContact CA-SG 3.53Å |
| 1197 | G | 91.1 | Very high | 89.4 | Confident | 9 Ų | 9 | 26 Ų | 26 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1193 T1194 C1201 | L1193-G1197 PolarHBondContact O-N 3.07Å; T1194-G1197 PolarHBondContact O-N 3.3Å; G1197-C1201 WeakPolarHBondContact O-CB 3.29Å; G1197-C1201 PolarHBondContact O-N 2.95Å |
| 1198 | V | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | F1125 L1148 L1152 T1194 H1200 C1201 F1202 L1222 | F1125-V1198 HydrophobicContact CE1-CG2 3.76Å; F1125-V1198 HydrophobicContact CZ-CG2 3.94Å; L1148-V1198 HydrophobicContact CB-CG2 4.26Å; L1148-V1198 HydrophobicContact CD2-CG2 4.35Å; L1152-V1198 HydrophobicContact CD1-CB 4.27Å; L1152-V1198 HydrophobicContact CD1-CG1 4.21Å; L1152-V1198 HydrophobicContact CD1-CG2 4.04Å; L1152-V1198 HydrophobicContact CD2-CG2 4.23Å; L1152-V1198 HydrophobicContact CG-CG2 4.15Å; T1194-V1198 WeakPolarHBondContact O-CG2 3.47Å; T1194-V1198 PolarHBondContact O-N 3.04Å; V1198-H1200 PolarHBondContact O-N 3.14Å; V1198-C1201 WeakPolarHBondContact O-CB 3.48Å; V1198-C1201 PolarHBondContact O-N 3.27Å; V1198-F1202 HydrophobicContact CG1-CD2 4.13Å; V1198-F1202 HydrophobicContact CG1-CE2 4.04Å; V1198-F1202 WeakPolarHBondContact O-CD2 3.49Å; V1198-F1202 PolarHBondContact O-N 3.13Å; V1198-F1202 VanDerWaalsContact O-N 3.13Å; V1198-L1222 HydrophobicContact CG1-CD1 3.91Å |
| 1199 | S | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.7 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | L1195 T1196 F1202 C1244 | L1195-S1199 WeakPolarHBondContact O-CB 3.16Å; L1195-S1199 PolarHBondContact O-N 3.47Å; L1195-S1199 PolarHBondContact O-OG 2.94Å; L1195-S1199 VanDerWaalsContact O-OG 3.08Å; T1196-S1199 PolarHBondContact O-N 2.94Å; S1199-F1202 PolarHBondContact O-N 3.48Å; S1199-C1244 WeakPolarHBondContact OG-CB 3.4Å |
| 1200 | H | 90.4 | Very high | 88.4 | Confident | 99 Ų | 99 | 25.2 Ų | 25.2 | 46% | 0.458 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 173.1 | -81.4 | -66.4 | 0 | 0 | 0 | 112.3 | T1196 V1198 F1202 I1203 S1204 | T1196-H1200 PolarHBondContact O-CD2 3.33Å; T1196-H1200 PolarHBondContact O-N 3.43Å; V1198-H1200 PolarHBondContact O-N 3.14Å; H1200-F1202 VanDerWaalsContact C-N 3.25Å; H1200-F1202 PolarHBondContact O-N 3.32Å; H1200-I1203 PolarHBondContact O-N 3.39Å; H1200-I1203 VanDerWaalsContact O-N 3.1Å; H1200-S1204 PolarHBondContact O-N 3.18Å; H1200-S1204 PolarHBondContact O-OG 2.88Å |
| 1201 | C | 87.9 | Confident | 87.8 | Confident | 8 Ų | 8 | 28.7 Ų | 28.7 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -36.3 | 176.2 | -173 | 0 | 0 | 0 | 0 | 112.6 | G1197 V1198 I1203 K1205 | G1197-C1201 WeakPolarHBondContact O-CB 3.29Å; G1197-C1201 PolarHBondContact O-N 2.95Å; V1198-C1201 WeakPolarHBondContact O-CB 3.48Å; V1198-C1201 PolarHBondContact O-N 3.27Å; C1201-I1203 VanDerWaalsContact C-N 3.26Å; C1201-I1203 PolarHBondContact O-N 3.41Å; C1201-K1205 PolarHBondContact O-N 2.67Å |
| 1202 | F | 87.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -28.7 | 176.9 | -96.3 | -111.7 | 0 | 0 | 0 | 114 | L1144 F1149 V1198 S1199 H1200 Q1206 L1209 F1215 C1218 W1219 L1222 L1248 | L1144-F1202 HydrophobicContact CD2-CE2 3.88Å; L1144-F1202 HydrophobicContact CD2-CZ 4.33Å; F1149-F1202 HydrophobicContact CZ-CE2 4.44Å; F1149-F1202 HydrophobicContact CZ-CZ 4.1Å; V1198-F1202 HydrophobicContact CG1-CD2 4.13Å; V1198-F1202 HydrophobicContact CG1-CE2 4.04Å; V1198-F1202 WeakPolarHBondContact O-CD2 3.49Å; V1198-F1202 PolarHBondContact O-N 3.13Å; V1198-F1202 VanDerWaalsContact O-N 3.13Å; S1199-F1202 PolarHBondContact O-N 3.48Å; H1200-F1202 VanDerWaalsContact C-N 3.25Å; H1200-F1202 PolarHBondContact O-N 3.32Å; F1202-Q1206 WeakPolarHBondContact O-CA 3.22Å; F1202-Q1206 WeakPolarHBondContact O-CB 3.35Å; F1202-Q1206 PolarHBondContact O-N 2.99Å; F1202-L1209 HydrophobicContact CB-CD1 4.47Å; F1202-L1209 HydrophobicContact CD2-CD1 4.39Å; F1202-L1209 HydrophobicContact CG-CD1 4.23Å; F1202-F1215 HydrophobicContact CD1-CE2 4.14Å; F1202-F1215 HydrophobicContact CE1-CE2 4.06Å; F1202-C1218 HydrophobicContact CE1-CB 4.34Å; F1202-C1218 HydrophobicContact CZ-CB 4.06Å; F1202-W1219 HydrophobicContact CD1-CE3 4.29Å; F1202-L1222 HydrophobicContact CB-CD2 4.32Å; F1202-L1222 HydrophobicContact CD1-CD2 3.78Å; F1202-L1222 HydrophobicContact CD2-CD2 3.75Å; F1202-L1222 HydrophobicContact CE1-CD2 3.94Å; F1202-L1222 HydrophobicContact CE2-CD2 3.91Å; F1202-L1222 HydrophobicContact CG-CD2 3.67Å; F1202-L1222 HydrophobicContact CZ-CB 4.48Å; F1202-L1222 HydrophobicContact CZ-CD2 4Å; F1202-L1248 HydrophobicContact CB-CD2 3.81Å |
| 1203 | I | 87.5 | Confident | 86.3 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -94.7 | -49.1 | -178.8 | -63.1 | 147.2 | 0 | 0 | 0 | 111 | H1200 C1201 K1205 Q1206 I1247 L1248 D1250 I1251 | H1200-I1203 PolarHBondContact O-N 3.39Å; H1200-I1203 VanDerWaalsContact O-N 3.1Å; C1201-I1203 VanDerWaalsContact C-N 3.26Å; C1201-I1203 PolarHBondContact O-N 3.41Å; I1203-K1205 PolarHBondContact O-N 2.88Å; I1203-K1205 VanDerWaalsContact O-N 3.08Å; I1203-Q1206 WeakPolarHBondContact O-CB 3.43Å; I1203-Q1206 VanDerWaalsContact O-CG 3.27Å; I1203-Q1206 WeakPolarHBondContact O-CG 3.47Å; I1203-Q1206 PolarHBondContact O-N 3.04Å; I1203-Q1206 VanDerWaalsContact O-N 3.15Å; I1203-I1247 HydrophobicContact CD1-CB 4.23Å; I1203-I1247 HydrophobicContact CD1-CG2 3.13Å; I1203-I1247 WeakPolarHBondContact CD1-O 3.42Å; I1203-L1248 HydrophobicContact CD1-CD2 4.28Å; I1203-L1248 HydrophobicContact CG1-CD2 4.35Å; I1203-D1250 HydrophobicContact CG2-CB 4.35Å; I1203-I1251 HydrophobicContact CG1-CD1 4.19Å; I1203-I1251 HydrophobicContact CG1-CG1 3.7Å |
| 1204 | S | 85.6 | Confident | 85.8 | Confident | 49 Ų | 49 | 34 Ų | 34 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.9 | -24.9 | -175.8 | 64.6 | 0 | 0 | 0 | 0 | 112 | H1200 | H1200-S1204 PolarHBondContact O-N 3.18Å; H1200-S1204 PolarHBondContact O-OG 2.88Å |
| 1205 | K | 85.6 | Confident | 85.5 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 24 | 178.1 | -50.5 | -64 | 156.1 | 152.1 | 0 | 113.9 | E1129 S1132 E1133 W1140 C1201 I1203 S1207 H1208 L1209 | E1129-K1205 WeakPolarHBondContact O-CE 3.48Å; E1129-K1205 PolarHBondContact O-NZ 2.66Å; S1132-K1205 WeakPolarHBondContact OG-CD 3.4Å; S1132-K1205 WeakPolarHBondContact OG-CE 3.43Å; S1132-K1205 WeakPolarHBondContact OG-CG 3.38Å; S1132-K1205 PolarHBondContact OG-NZ 2.82Å; S1132-K1205 VanDerWaalsContact OG-NZ 3.09Å; E1133-K1205 IonicContact OE1-NZ 2.89Å; W1140-K1205 HydrophobicContact CH2-CB 3.77Å; W1140-K1205 HydrophobicContact CH2-CG 3.9Å; W1140-K1205 HydrophobicContact CZ2-CB 3.46Å; W1140-K1205 VanDerWaalsContact CZ2-CB 3.46Å; W1140-K1205 HydrophobicContact CZ2-CG 3.73Å; C1201-K1205 PolarHBondContact O-N 2.67Å; I1203-K1205 PolarHBondContact O-N 2.88Å; I1203-K1205 VanDerWaalsContact O-N 3.08Å; K1205-S1207 PolarHBondContact O-N 3.23Å; K1205-H1208 PolarHBondContact O-N 2.99Å; K1205-L1209 PolarHBondContact O-N 2.93Å; K1205-L1209 VanDerWaalsContact O-N 3.14Å |
| 1206 | Q | 85.3 | Confident | 85 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -49.1 | -36.1 | 178.7 | 64.4 | -175 | -43.2 | 0 | 0 | 113.9 | F1202 I1203 H1208 L1209 L1210 | F1202-Q1206 WeakPolarHBondContact O-CA 3.22Å; F1202-Q1206 WeakPolarHBondContact O-CB 3.35Å; F1202-Q1206 PolarHBondContact O-N 2.99Å; I1203-Q1206 WeakPolarHBondContact O-CB 3.43Å; I1203-Q1206 VanDerWaalsContact O-CG 3.27Å; I1203-Q1206 WeakPolarHBondContact O-CG 3.47Å; I1203-Q1206 PolarHBondContact O-N 3.04Å; I1203-Q1206 VanDerWaalsContact O-N 3.15Å; Q1206-H1208 VanDerWaalsContact C-N 3.27Å; Q1206-H1208 PolarHBondContact O-N 3.36Å; Q1206-L1209 PolarHBondContact O-N 2.85Å; Q1206-L1210 HydrophobicContact CB-CD1 4.36Å; Q1206-L1210 VanDerWaalsContact O-CB 3.27Å; Q1206-L1210 WeakPolarHBondContact O-CB 3.43Å; Q1206-L1210 WeakPolarHBondContact O-CD1 3.49Å; Q1206-L1210 WeakPolarHBondContact O-CG 3.49Å; Q1206-L1210 PolarHBondContact O-N 2.77Å |
| 1207 | S | 80.3 | Confident | 84.7 | Confident | 80 Ų | 80 | 39.9 Ų | 39.9 | 56% | 0.559 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.8 | -31.6 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | K1205 | K1205-S1207 PolarHBondContact O-N 3.23Å |
| 1208 | H | 80.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 39.5 Ų | 39.5 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -91.4 | -36.2 | 177.5 | -61 | 76.9 | 0 | 0 | 0 | 110.9 | W1140 K1205 Q1206 L1210 T1211 | W1140-H1208 AromaticContact NE1-CG 3.95Å; K1205-H1208 PolarHBondContact O-N 2.99Å; Q1206-H1208 VanDerWaalsContact C-N 3.27Å; Q1206-H1208 PolarHBondContact O-N 3.36Å; H1208-L1210 PolarHBondContact O-N 2.92Å; H1208-T1211 PolarHBondContact O-N 2.91Å; H1208-T1211 PolarHBondContact O-OG1 3.45Å; H1208-T1211 VanDerWaalsContact O-OG1 3.08Å |
| 1209 | L | 83.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.5 | -33.7 | -179.3 | -64.2 | 177 | 0 | 0 | 0 | 112.5 | W1140 L1144 F1202 K1205 Q1206 T1211 L1212 F1215 | W1140-L1209 HydrophobicContact CD2-CD2 3.86Å; W1140-L1209 HydrophobicContact CE3-CD2 3.66Å; W1140-L1209 HydrophobicContact CG-CD2 4.38Å; W1140-L1209 HydrophobicContact CH2-CD2 4.45Å; W1140-L1209 HydrophobicContact CZ3-CD2 4Å; L1144-L1209 HydrophobicContact CD1-CD2 3.91Å; F1202-L1209 HydrophobicContact CB-CD1 4.47Å; F1202-L1209 HydrophobicContact CD2-CD1 4.39Å; F1202-L1209 HydrophobicContact CG-CD1 4.23Å; K1205-L1209 PolarHBondContact O-N 2.93Å; K1205-L1209 VanDerWaalsContact O-N 3.14Å; Q1206-L1209 PolarHBondContact O-N 2.85Å; L1209-T1211 VanDerWaalsContact C-N 3.25Å; L1209-T1211 PolarHBondContact O-N 3.14Å; L1209-L1212 HydrophobicContact CD2-CD1 3.79Å; L1209-L1212 WeakPolarHBondContact O-CB 3.36Å; L1209-L1212 WeakPolarHBondContact O-CG 3.39Å; L1209-L1212 PolarHBondContact O-N 2.94Å; L1209-F1215 HydrophobicContact CB-CD2 4.04Å; L1209-F1215 HydrophobicContact CB-CE2 3.92Å; L1209-F1215 WeakPolarHBondContact O-CD2 3.42Å |
| 1210 | L | 81.4 | Confident | 84.3 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.6 | 177.6 | -74.7 | 165.2 | 0 | 0 | 0 | 114.1 | Q1206 H1208 F1215 | Q1206-L1210 HydrophobicContact CB-CD1 4.36Å; Q1206-L1210 VanDerWaalsContact O-CB 3.27Å; Q1206-L1210 WeakPolarHBondContact O-CB 3.43Å; Q1206-L1210 WeakPolarHBondContact O-CD1 3.49Å; Q1206-L1210 WeakPolarHBondContact O-CG 3.49Å; Q1206-L1210 PolarHBondContact O-N 2.77Å; H1208-L1210 PolarHBondContact O-N 2.92Å; L1210-F1215 HydrophobicContact CD2-CD1 3.91Å; L1210-F1215 HydrophobicContact CD2-CE1 3.52Å; L1210-F1215 HydrophobicContact CD2-CZ 3.85Å; L1210-F1215 HydrophobicContact CG-CZ 4.43Å |
| 1211 | T | 78.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 42 Ų | 42 | 47% | 0.472 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.4 | 174.8 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | E1137 H1208 L1209 S1213 | E1137-T1211 WeakPolarHBondContact OE1-CB 3.32Å; E1137-T1211 PolarHBondContact OE1-OG1 3.25Å; H1208-T1211 PolarHBondContact O-N 2.91Å; H1208-T1211 PolarHBondContact O-OG1 3.45Å; H1208-T1211 VanDerWaalsContact O-OG1 3.08Å; L1209-T1211 VanDerWaalsContact C-N 3.25Å; L1209-T1211 PolarHBondContact O-N 3.14Å; T1211-S1213 PolarHBondContact O-N 3Å |
| 1212 | L | 80.4 | Confident | 84.4 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -60.9 | 125.3 | 177.5 | -60.3 | 175.7 | 0 | 0 | 0 | 111 | E1137 W1140 L1144 L1209 D1214 F1215 | E1137-L1212 HydrophobicContact CB-CD2 3.91Å; E1137-L1212 HydrophobicContact CG-CD2 4.36Å; E1137-L1212 WeakPolarHBondContact O-CD2 3.46Å; W1140-L1212 HydrophobicContact CB-CD1 4.4Å; W1140-L1212 HydrophobicContact CB-CD2 4.2Å; L1144-L1212 HydrophobicContact CD1-CD1 3.77Å; L1209-L1212 HydrophobicContact CD2-CD1 3.79Å; L1209-L1212 WeakPolarHBondContact O-CB 3.36Å; L1209-L1212 WeakPolarHBondContact O-CG 3.39Å; L1209-L1212 PolarHBondContact O-N 2.94Å; L1212-D1214 PolarHBondContact O-N 3.34Å; L1212-D1214 VanDerWaalsContact O-N 3.08Å; L1212-F1215 HydrophobicContact CB-CB 4.45Å; L1212-F1215 WeakPolarHBondContact O-CB 3.41Å; L1212-F1215 PolarHBondContact O-N 3.39Å |
| 1213 | S | 74.1 | Confident | 84.6 | Confident | 117 Ų | 117 | 41.8 Ų | 41.8 | 82% | 0.818 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.5 | 177.5 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | T1211 | T1211-S1213 PolarHBondContact O-N 3Š|
| 1214 | D | 81.6 | Confident | 84.7 | Confident | 53 Ų | 53 | 44 Ų | 44 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 11.3 | 179.1 | -76.2 | -46.1 | 0 | 0 | 0 | 114.3 | W1145 L1212 T1216 K1217 C1218 | W1145-D1214 HydrophobicContact CZ2-CB 4.48Å; L1212-D1214 PolarHBondContact O-N 3.34Å; L1212-D1214 VanDerWaalsContact O-N 3.08Å; D1214-T1216 VanDerWaalsContact C-N 3.27Å; D1214-T1216 PolarHBondContact O-N 3.46Å; D1214-T1216 VanDerWaalsContact O-N 3.17Å; D1214-K1217 HydrophobicContact CB-CD 4.38Å; D1214-K1217 WeakPolarHBondContact O-CB 3.34Å; D1214-K1217 PolarHBondContact O-N 2.85Å; D1214-K1217 WeakPolarHBondContact OD1-CD 3.34Å; D1214-K1217 VanDerWaalsContact OD1-CE 3.26Å; D1214-K1217 WeakPolarHBondContact OD1-CE 3.44Å; D1214-K1217 IonicContact OD1-NZ 2.74Å; D1214-K1217 PolarHBondContact OD1-NZ 2.86Å; D1214-C1218 PolarHBondContact O-N 3.49Å; D1214-C1218 VanDerWaalsContact O-N 3.08Å; D1214-C1218 PolarHBondContact O-SG 2.8Å |
| 1215 | F | 84.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -52.5 | -41.9 | -176.8 | -178.3 | -104 | 0 | 0 | 0 | 113.3 | F1202 L1209 L1210 L1212 K1217 C1218 W1219 P1266 I1271 | F1202-F1215 HydrophobicContact CD1-CE2 4.14Å; F1202-F1215 HydrophobicContact CE1-CE2 4.06Å; L1209-F1215 HydrophobicContact CB-CD2 4.04Å; L1209-F1215 HydrophobicContact CB-CE2 3.92Å; L1209-F1215 WeakPolarHBondContact O-CD2 3.42Å; L1210-F1215 HydrophobicContact CD2-CD1 3.91Å; L1210-F1215 HydrophobicContact CD2-CE1 3.52Å; L1210-F1215 HydrophobicContact CD2-CZ 3.85Å; L1210-F1215 HydrophobicContact CG-CZ 4.43Å; L1212-F1215 HydrophobicContact CB-CB 4.45Å; L1212-F1215 WeakPolarHBondContact O-CB 3.41Å; L1212-F1215 PolarHBondContact O-N 3.39Å; F1215-K1217 VanDerWaalsContact C-N 3.27Å; F1215-K1217 PolarHBondContact O-N 3.23Å; F1215-C1218 WeakPolarHBondContact O-CB 3.17Å; F1215-C1218 PolarHBondContact O-N 3.47Å; F1215-C1218 VanDerWaalsContact O-N 3.11Å; F1215-W1219 WeakPolarHBondContact O-CB 3.38Å; F1215-W1219 PolarHBondContact O-N 3.21Å; F1215-P1266 HydrophobicContact CD1-CG 4.17Å; F1215-I1271 HydrophobicContact CD1-CD1 4.11Å; F1215-I1271 HydrophobicContact CE1-CD1 3.72Å |
| 1216 | T | 83 | Confident | 85.2 | Confident | 43 Ų | 43 | 42.5 Ų | 42.5 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -36.1 | 177.5 | -49.4 | 0 | 0 | 0 | 0 | 112.7 | D1214 Q1220 | D1214-T1216 VanDerWaalsContact C-N 3.27Å; D1214-T1216 PolarHBondContact O-N 3.46Å; D1214-T1216 VanDerWaalsContact O-N 3.17Å; T1216-Q1220 WeakPolarHBondContact O-CG 3.42Å; T1216-Q1220 PolarHBondContact O-N 3.48Å; T1216-Q1220 VanDerWaalsContact O-N 3.13Å |
| 1217 | K | 85.5 | Confident | 85.4 | Confident | 112 Ų | 112 | 42.7 Ų | 42.7 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73 | -41.6 | 175.3 | -60.4 | 175.9 | -172.5 | 157.5 | 0 | 111 | W1145 D1214 F1215 W1219 Q1220 I1221 | W1145-K1217 HydrophobicContact CH2-CB 4.41Å; W1145-K1217 HydrophobicContact CZ2-CB 4.47Å; D1214-K1217 HydrophobicContact CB-CD 4.38Å; D1214-K1217 WeakPolarHBondContact O-CB 3.34Å; D1214-K1217 PolarHBondContact O-N 2.85Å; D1214-K1217 WeakPolarHBondContact OD1-CD 3.34Å; D1214-K1217 VanDerWaalsContact OD1-CE 3.26Å; D1214-K1217 WeakPolarHBondContact OD1-CE 3.44Å; D1214-K1217 IonicContact OD1-NZ 2.74Å; D1214-K1217 PolarHBondContact OD1-NZ 2.86Å; F1215-K1217 VanDerWaalsContact C-N 3.27Å; F1215-K1217 PolarHBondContact O-N 3.23Å; K1217-W1219 VanDerWaalsContact C-N 3.28Å; K1217-W1219 PolarHBondContact O-N 3.23Å; K1217-Q1220 PolarHBondContact O-N 3.35Å; K1217-I1221 WeakPolarHBondContact O-CG1 3.39Å; K1217-I1221 PolarHBondContact O-N 2.94Å |
| 1218 | C | 88 | Confident | 85.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -40.6 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | F1149 F1202 D1214 F1215 L1222 | F1149-C1218 HydrophobicContact CE2-CB 4.26Å; F1149-C1218 HydrophobicContact CZ-CB 4.02Å; F1202-C1218 HydrophobicContact CE1-CB 4.34Å; F1202-C1218 HydrophobicContact CZ-CB 4.06Å; D1214-C1218 PolarHBondContact O-N 3.49Å; D1214-C1218 VanDerWaalsContact O-N 3.08Å; D1214-C1218 PolarHBondContact O-SG 2.8Å; F1215-C1218 WeakPolarHBondContact O-CB 3.17Å; F1215-C1218 PolarHBondContact O-N 3.47Å; F1215-C1218 VanDerWaalsContact O-N 3.11Å; C1218-L1222 WeakPolarHBondContact O-CB 3.44Å; C1218-L1222 PolarHBondContact O-N 3.48Å |
| 1219 | W | 89 | Confident | 86 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 173.8 | -175.6 | -110.9 | 0 | 0 | 0 | 112.7 | F1202 F1215 K1217 I1221 L1222 L1223 L1248 I1251 I1271 Y1275 | F1202-W1219 HydrophobicContact CD1-CE3 4.29Å; F1215-W1219 WeakPolarHBondContact O-CB 3.38Å; F1215-W1219 PolarHBondContact O-N 3.21Å; K1217-W1219 VanDerWaalsContact C-N 3.28Å; K1217-W1219 PolarHBondContact O-N 3.23Å; W1219-I1221 PolarHBondContact O-N 3.3Å; W1219-L1222 PolarHBondContact O-N 2.92Å; W1219-L1223 WeakPolarHBondContact O-CG 3.31Å; W1219-L1223 PolarHBondContact O-N 3.45Å; W1219-L1248 HydrophobicContact CH2-CB 3.95Å; W1219-L1248 HydrophobicContact CH2-CD1 4.28Å; W1219-L1248 HydrophobicContact CH2-CG 4.49Å; W1219-L1248 HydrophobicContact CZ3-CB 4.31Å; W1219-L1248 HydrophobicContact CZ3-CD1 4.12Å; W1219-L1248 HydrophobicContact CZ3-CD2 4.08Å; W1219-L1248 HydrophobicContact CZ3-CG 4.4Å; W1219-I1251 HydrophobicContact CE3-CD1 4.42Å; W1219-I1251 HydrophobicContact CH2-CD1 3.83Å; W1219-I1251 HydrophobicContact CZ3-CD1 3.42Å; W1219-I1251 VanDerWaalsContact CZ3-CD1 3.42Å; W1219-I1271 HydrophobicContact CD2-CG2 4.27Å; W1219-I1271 HydrophobicContact CZ2-CG2 3.79Å; W1219-I1271 PolarHBondContact NE1-O 2.96Å; W1219-Y1275 AromaticContact CZ2-CD2 3.95Å; W1219-Y1275 HydrophobicContact CZ2-CD2 3.95Å |
| 1220 | Q | 88.4 | Confident | 86.2 | Confident | 99 Ų | 99 | 39.6 Ų | 39.6 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 178.2 | -76 | 174.8 | -25.4 | 0 | 0 | 112 | T1216 K1217 L1222 L1223 D1224 | T1216-Q1220 WeakPolarHBondContact O-CG 3.42Å; T1216-Q1220 PolarHBondContact O-N 3.48Å; T1216-Q1220 VanDerWaalsContact O-N 3.13Å; K1217-Q1220 PolarHBondContact O-N 3.35Å; Q1220-L1222 PolarHBondContact O-N 3.34Å; Q1220-L1223 PolarHBondContact O-N 2.93Å; Q1220-D1224 WeakPolarHBondContact O-CB 3.47Å; Q1220-D1224 PolarHBondContact O-N 2.91Å |
| 1221 | I | 89.5 | Confident | 86.2 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 178.1 | -70.7 | 169.1 | 0 | 0 | 0 | 111.5 | W1145 F1149 K1217 W1219 D1224 H1225 | W1145-I1221 HydrophobicContact CH2-CD1 3.41Å; W1145-I1221 VanDerWaalsContact CH2-CD1 3.41Å; W1145-I1221 HydrophobicContact CZ3-CD1 3.46Å; W1145-I1221 VanDerWaalsContact CZ3-CD1 3.46Å; F1149-I1221 HydrophobicContact CD1-CG2 3.94Å; F1149-I1221 HydrophobicContact CE1-CG2 4.06Å; F1149-I1221 HydrophobicContact CG-CG2 4.19Å; F1149-I1221 HydrophobicContact CZ-CG2 4.39Å; K1217-I1221 WeakPolarHBondContact O-CG1 3.39Å; K1217-I1221 PolarHBondContact O-N 2.94Å; W1219-I1221 PolarHBondContact O-N 3.3Å; I1221-D1224 PolarHBondContact O-N 3.39Å; I1221-H1225 PolarHBondContact O-CD2 3.5Å; I1221-H1225 VanDerWaalsContact O-CD2 3.22Å; I1221-H1225 PolarHBondContact O-N 2.87Å |
| 1222 | L | 91.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.2 | -176.8 | 59.3 | 0 | 0 | 0 | 111.6 | V1198 F1202 C1218 W1219 Q1220 D1224 H1225 L1226 L1248 | V1198-L1222 HydrophobicContact CG1-CD1 3.91Å; F1202-L1222 HydrophobicContact CB-CD2 4.32Å; F1202-L1222 HydrophobicContact CD1-CD2 3.78Å; F1202-L1222 HydrophobicContact CD2-CD2 3.75Å; F1202-L1222 HydrophobicContact CE1-CD2 3.94Å; F1202-L1222 HydrophobicContact CE2-CD2 3.91Å; F1202-L1222 HydrophobicContact CG-CD2 3.67Å; F1202-L1222 HydrophobicContact CZ-CB 4.48Å; F1202-L1222 HydrophobicContact CZ-CD2 4Å; C1218-L1222 WeakPolarHBondContact O-CB 3.44Å; C1218-L1222 PolarHBondContact O-N 3.48Å; W1219-L1222 PolarHBondContact O-N 2.92Å; Q1220-L1222 PolarHBondContact O-N 3.34Å; L1222-D1224 VanDerWaalsContact C-N 3.34Å; L1222-D1224 PolarHBondContact O-N 3.04Å; L1222-H1225 PolarHBondContact O-N 2.8Å; L1222-L1226 HydrophobicContact CG-CD1 4.16Å; L1222-L1226 WeakPolarHBondContact O-CB 3.28Å; L1222-L1226 VanDerWaalsContact O-CG 3.28Å; L1222-L1226 WeakPolarHBondContact O-CG 3.32Å; L1222-L1226 PolarHBondContact O-N 3.15Å; L1222-L1248 HydrophobicContact CD2-CD1 3.76Å; L1222-L1248 HydrophobicContact CD2-CD2 4.07Å; L1222-L1248 HydrophobicContact CG-CD1 4.21Å |
| 1223 | L | 91.4 | Very high | 86 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -35.8 | 174.4 | -71.9 | -177.8 | 0 | 0 | 0 | 112.7 | W1219 Q1220 L1226 K1227 A1274 Y1275 | W1219-L1223 WeakPolarHBondContact O-CG 3.31Å; W1219-L1223 PolarHBondContact O-N 3.45Å; Q1220-L1223 PolarHBondContact O-N 2.93Å; L1223-L1226 HydrophobicContact CD2-CD1 4.28Å; L1223-L1226 PolarHBondContact O-N 3.5Å; L1223-K1227 VanDerWaalsContact O-CB 3.24Å; L1223-K1227 WeakPolarHBondContact O-CB 3.31Å; L1223-K1227 PolarHBondContact O-N 3.4Å; L1223-A1274 HydrophobicContact CD1-CB 4.11Å; L1223-Y1275 HydrophobicContact CD2-CD2 3.95Å; L1223-Y1275 HydrophobicContact CD2-CE2 4.49Å |
| 1224 | D | 90.1 | Very high | 86.4 | Confident | 75 Ų | 75 | 37 Ų | 37 | 40% | 0.401 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 174.3 | -83 | -30.9 | 0 | 0 | 0 | 111.8 | Q1220 I1221 L1222 K1227 V1228 | Q1220-D1224 WeakPolarHBondContact O-CB 3.47Å; Q1220-D1224 PolarHBondContact O-N 2.91Å; I1221-D1224 PolarHBondContact O-N 3.39Å; L1222-D1224 VanDerWaalsContact C-N 3.34Å; L1222-D1224 PolarHBondContact O-N 3.04Å; D1224-K1227 PolarHBondContact O-N 3.36Å; D1224-K1227 WeakPolarHBondContact OD1-CE 3.42Å; D1224-K1227 IonicContact OD1-NZ 2.82Å; D1224-K1227 PolarHBondContact OD1-NZ 3.32Å; D1224-V1228 WeakPolarHBondContact O-CB 3.3Å; D1224-V1228 VanDerWaalsContact O-CG2 3.3Å; D1224-V1228 WeakPolarHBondContact O-CG2 3.24Å; D1224-V1228 PolarHBondContact O-N 2.83Å |
| 1225 | H | 90.9 | Very high | 86.2 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 15% | 0.153 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 171.1 | -81.2 | -63.1 | 0 | 0 | 0 | 111.6 | S1153 I1221 L1222 V1228 T1229 | S1153-H1225 PolarHBondContact OG-CE1 3.36Å; I1221-H1225 PolarHBondContact O-CD2 3.5Å; I1221-H1225 VanDerWaalsContact O-CD2 3.22Å; I1221-H1225 PolarHBondContact O-N 2.87Å; L1222-H1225 PolarHBondContact O-N 2.8Å; H1225-V1228 PolarHBondContact O-N 3.16Å; H1225-T1229 WeakPolarHBondContact O-CB 3.47Å; H1225-T1229 WeakPolarHBondContact O-CG2 3.42Å; H1225-T1229 PolarHBondContact O-N 3.35Å; H1225-T1229 PolarHBondContact O-OG1 3.06Å |
| 1226 | L | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -52 | 176.1 | -72.7 | 164.8 | 0 | 0 | 0 | 111.1 | L1195 L1222 L1223 V1228 T1229 A1230 S1241 C1244 M1245 L1248 | L1195-L1226 HydrophobicContact CD1-CD2 3.84Å; L1195-L1226 HydrophobicContact CD1-CG 4.35Å; L1195-L1226 HydrophobicContact CD2-CD2 3.99Å; L1195-L1226 HydrophobicContact CG-CD2 3.98Å; L1222-L1226 HydrophobicContact CG-CD1 4.16Å; L1222-L1226 WeakPolarHBondContact O-CB 3.28Å; L1222-L1226 VanDerWaalsContact O-CG 3.28Å; L1222-L1226 WeakPolarHBondContact O-CG 3.32Å; L1222-L1226 PolarHBondContact O-N 3.15Å; L1223-L1226 HydrophobicContact CD2-CD1 4.28Å; L1223-L1226 PolarHBondContact O-N 3.5Å; L1226-V1228 VanDerWaalsContact C-N 3.33Å; L1226-V1228 PolarHBondContact O-N 3.49Å; L1226-T1229 WeakPolarHBondContact CA-OG1 3.44Å; L1226-T1229 CarbonylContact O-C 3.19Å; L1226-T1229 PolarHBondContact O-N 2.82Å; L1226-T1229 PolarHBondContact O-OG1 3.21Å; L1226-A1230 WeakPolarHBondContact O-CB 3.5Å; L1226-A1230 PolarHBondContact O-N 3.06Å; L1226-S1241 PolarHBondContact O-OG 3.47Å; L1226-C1244 HydrophobicContact CD2-CB 3.36Å; L1226-M1245 HydrophobicContact CB-CG 4.37Å; L1226-M1245 HydrophobicContact CD1-CG 4Å; L1226-L1248 HydrophobicContact CD1-CD1 3.55Å |
| 1227 | K | 89.9 | Confident | 86.4 | Confident | 42 Ų | 42 | 39 Ų | 39 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.6 | -45.8 | 175.4 | -178.7 | 173.4 | 60.6 | -163.7 | 0 | 112.7 | L1223 D1224 Y1231 T1278 | L1223-K1227 VanDerWaalsContact O-CB 3.24Å; L1223-K1227 WeakPolarHBondContact O-CB 3.31Å; L1223-K1227 PolarHBondContact O-N 3.4Å; D1224-K1227 PolarHBondContact O-N 3.36Å; D1224-K1227 WeakPolarHBondContact OD1-CE 3.42Å; D1224-K1227 IonicContact OD1-NZ 2.82Å; D1224-K1227 PolarHBondContact OD1-NZ 3.32Å; K1227-Y1231 HydrophobicContact CD-CE2 4.36Å; K1227-Y1231 HydrophobicContact CG-CD2 4.43Å; K1227-Y1231 HydrophobicContact CG-CE2 3.55Å; K1227-Y1231 WeakPolarHBondContact O-CD2 3.27Å; K1227-Y1231 WeakPolarHBondContact O-CE2 3.49Å; K1227-Y1231 VanDerWaalsContact O-CG 3.22Å; K1227-Y1231 PolarHBondContact O-N 2.9Å; K1227-T1278 HydrophobicContact CB-CG2 4.1Å |
| 1228 | V | 86.7 | Confident | 86.5 | Confident | 63 Ų | 63 | 33.7 Ų | 33.7 | 38% | 0.382 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 111 | H1156 D1224 H1225 L1226 Y1231 | H1156-V1228 VanDerWaalsContact CE1-CG1 3.47Å; H1156-V1228 WeakPolarHBondContact CE1-CG1 3.43Å; D1224-V1228 WeakPolarHBondContact O-CB 3.3Å; D1224-V1228 VanDerWaalsContact O-CG2 3.3Å; D1224-V1228 WeakPolarHBondContact O-CG2 3.24Å; D1224-V1228 PolarHBondContact O-N 2.83Å; H1225-V1228 PolarHBondContact O-N 3.16Å; L1226-V1228 VanDerWaalsContact C-N 3.33Å; L1226-V1228 PolarHBondContact O-N 3.49Å; V1228-Y1231 PolarHBondContact O-N 3.25Å; V1228-Y1231 VanDerWaalsContact O-N 3.14Å |
| 1229 | T | 86.9 | Confident | 86.5 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -32.5 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | V1191 L1195 H1225 L1226 Y1231 M1232 I1237 S1241 | V1191-T1229 HydrophobicContact CG1-CG2 4.08Å; L1195-T1229 HydrophobicContact CD1-CG2 4.42Å; L1195-T1229 HydrophobicContact CD2-CG2 4.09Å; L1195-T1229 WeakPolarHBondContact CD2-OG1 3.3Å; H1225-T1229 WeakPolarHBondContact O-CB 3.47Å; H1225-T1229 WeakPolarHBondContact O-CG2 3.42Å; H1225-T1229 PolarHBondContact O-N 3.35Å; H1225-T1229 PolarHBondContact O-OG1 3.06Å; L1226-T1229 WeakPolarHBondContact CA-OG1 3.44Å; L1226-T1229 CarbonylContact O-C 3.19Å; L1226-T1229 PolarHBondContact O-N 2.82Å; L1226-T1229 PolarHBondContact O-OG1 3.21Å; T1229-Y1231 PolarHBondContact O-N 3.22Å; T1229-M1232 HydrophobicContact CG2-SD 3.83Å; T1229-M1232 WeakPolarHBondContact O-CB 3.09Å; T1229-M1232 PolarHBondContact O-N 2.92Å; T1229-I1237 HydrophobicContact CG2-CG2 4.13Å; T1229-S1241 WeakPolarHBondContact OG1-CB 3.48Å; T1229-S1241 PolarHBondContact OG1-OG 3.02Å |
| 1230 | A | 86.2 | Confident | 86.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -18.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1226 I1282 F1345 | L1226-A1230 WeakPolarHBondContact O-CB 3.5Å; L1226-A1230 PolarHBondContact O-N 3.06Å; A1230-I1282 HydrophobicContact CB-CD1 3.95Å; A1230-I1282 HydrophobicContact CB-CG1 3.99Å; A1230-I1282 HydrophobicContact CB-CG2 4.11Å; A1230-F1345 HydrophobicContact CB-CE2 4.48Å |
| 1231 | Y | 82.9 | Confident | 86.7 | Confident | 49 Ų | 49 | 31 Ų | 31 | 19% | 0.192 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 1.2 | 177.9 | -57.7 | -23.1 | 0 | 0 | 0 | 114.1 | K1227 V1228 T1229 I1282 R1285 | K1227-Y1231 HydrophobicContact CD-CE2 4.36Å; K1227-Y1231 HydrophobicContact CG-CD2 4.43Å; K1227-Y1231 HydrophobicContact CG-CE2 3.55Å; K1227-Y1231 WeakPolarHBondContact O-CD2 3.27Å; K1227-Y1231 WeakPolarHBondContact O-CE2 3.49Å; K1227-Y1231 VanDerWaalsContact O-CG 3.22Å; K1227-Y1231 PolarHBondContact O-N 2.9Å; V1228-Y1231 PolarHBondContact O-N 3.25Å; V1228-Y1231 VanDerWaalsContact O-N 3.14Å; T1229-Y1231 PolarHBondContact O-N 3.22Å; Y1231-I1282 HydrophobicContact CE1-CG1 4.18Å; Y1231-R1285 HydrophobicContact CD1-CB 4.3Å; Y1231-R1285 HydrophobicContact CD1-CG 4.04Å; Y1231-R1285 VanDerWaalsContact CD2-NH1 3.29Å; Y1231-R1285 HydrophobicContact CE1-CB 3.78Å; Y1231-R1285 HydrophobicContact CE1-CG 3.99Å |
| 1232 | M | 82 | Confident | 86.8 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.7 | 150.2 | 179.9 | -65.2 | 175.6 | 73.4 | 0 | 0 | 111.3 | H1156 Y1159 T1229 S1234 I1237 Y1339 | H1156-M1232 PolarHBondContact CE1-SD 3.19Å; H1156-M1232 PolarHBondContact ND1-SD 3.38Å; H1156-M1232 VanDerWaalsContact ND1-SD 3.4Å; Y1159-M1232 HydrophobicContact CD1-CE 3.04Å; Y1159-M1232 HydrophobicContact CE1-CE 3.25Å; Y1159-M1232 HydrophobicContact CG-CE 3.75Å; T1229-M1232 HydrophobicContact CG2-SD 3.83Å; T1229-M1232 WeakPolarHBondContact O-CB 3.09Å; T1229-M1232 PolarHBondContact O-N 2.92Å; M1232-S1234 VanDerWaalsContact C-N 3.28Å; M1232-S1234 PolarHBondContact O-N 2.74Å; M1232-I1237 HydrophobicContact CB-CG2 4.36Å; M1232-I1237 HydrophobicContact CE-CD1 3.59Å; M1232-I1237 HydrophobicContact CE-CG2 4.48Å; M1232-I1237 HydrophobicContact SD-CD1 4.18Å; M1232-I1237 HydrophobicContact SD-CG2 3.71Å; M1232-Y1339 VanDerWaalsContact O-CD2 3.25Å; M1232-Y1339 WeakPolarHBondContact O-CD2 3.49Å; M1232-Y1339 WeakPolarHBondContact O-CE2 3.19Å |
| 1233 | D | 72.2 | Confident | 86.7 | Confident | 104 Ų | 104 | 31.4 Ų | 31.4 | 56% | 0.556 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -65.3 | -25.1 | -178.4 | 59.9 | -30.2 | 0 | 0 | 0 | 114 | Y1159 G1235 | Y1159-D1233 WeakPolarHBondContact CE1-OD1 3.34Å; Y1159-D1233 PolarHBondContact OH-OD1 3.46Å; D1233-G1235 PolarHBondContact O-N 3.07Å |
| 1234 | S | 81.4 | Confident | 86.7 | Confident | 21 Ų | 21 | 31.2 Ų | 31.2 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | trans | -77.9 | 113.4 | 174 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | Y1159 M1232 E1236 I1237 S1238 | Y1159-S1234 WeakPolarHBondContact OH-CB 3.34Å; M1232-S1234 VanDerWaalsContact C-N 3.28Å; M1232-S1234 PolarHBondContact O-N 2.74Å; S1234-E1236 PolarHBondContact O-N 3.04Å; S1234-E1236 VanDerWaalsContact O-N 3.14Å; S1234-E1236 PolarHBondContact OG-N 3.26Å; S1234-I1237 PolarHBondContact O-N 2.65Å; S1234-S1238 PolarHBondContact O-N 2.9Å; S1234-S1238 VanDerWaalsContact O-N 3.07Å | ||
| 1235 | G | 78.7 | Confident | 86.8 | Confident | 30 Ų | 30 | 27.6 Ų | 27.6 | 31% | 0.309 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.7 | -16.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1233 S1238 L1239 | D1233-G1235 PolarHBondContact O-N 3.07Å; G1235-S1238 WeakPolarHBondContact CA-OG 3.48Å; G1235-S1238 PolarHBondContact O-OG 2.61Å; G1235-L1239 VanDerWaalsContact O-CB 3.32Å; G1235-L1239 WeakPolarHBondContact O-CB 3.41Å; G1235-L1239 PolarHBondContact O-N 3.46Å |
| 1236 | E | 82.5 | Confident | 86.8 | Confident | 112 Ų | 112 | 30.8 Ų | 30.8 | 52% | 0.523 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -76.9 | -41.2 | 171.5 | -68 | 175.5 | -167.8 | 0 | 0 | 111 | S1234 A1240 | S1234-E1236 PolarHBondContact O-N 3.04Å; S1234-E1236 VanDerWaalsContact O-N 3.14Å; S1234-E1236 PolarHBondContact OG-N 3.26Å; E1236-A1240 WeakPolarHBondContact O-CB 3.28Å; E1236-A1240 PolarHBondContact O-N 2.66Å |
| 1237 | I | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -44.8 | 178.4 | -58.1 | 174.5 | 0 | 0 | 0 | 110.5 | Y1159 A1188 V1191 V1192 T1229 M1232 S1234 L1239 A1240 S1241 | Y1159-I1237 HydrophobicContact CD2-CD1 4.03Å; Y1159-I1237 HydrophobicContact CE1-CD1 4.3Å; Y1159-I1237 HydrophobicContact CE2-CD1 3.73Å; Y1159-I1237 HydrophobicContact CG-CD1 4.42Å; A1188-I1237 HydrophobicContact CB-CD1 3.75Å; A1188-I1237 HydrophobicContact CB-CG1 3.83Å; V1191-I1237 HydrophobicContact CB-CD1 4.11Å; V1191-I1237 HydrophobicContact CB-CG1 4.29Å; V1191-I1237 HydrophobicContact CG1-CD1 4.23Å; V1191-I1237 HydrophobicContact CG1-CG1 4.33Å; V1191-I1237 HydrophobicContact CG1-CG2 3.67Å; V1191-I1237 HydrophobicContact CG2-CD1 4.28Å; V1192-I1237 HydrophobicContact CG2-CG1 4.23Å; T1229-I1237 HydrophobicContact CG2-CG2 4.13Å; M1232-I1237 HydrophobicContact CB-CG2 4.36Å; M1232-I1237 HydrophobicContact CE-CD1 3.59Å; M1232-I1237 HydrophobicContact CE-CG2 4.48Å; M1232-I1237 HydrophobicContact SD-CD1 4.18Å; M1232-I1237 HydrophobicContact SD-CG2 3.71Å; S1234-I1237 PolarHBondContact O-N 2.65Å; I1237-L1239 PolarHBondContact O-N 3.38Å; I1237-A1240 WeakPolarHBondContact O-CB 3.22Å; I1237-A1240 PolarHBondContact O-N 3.05Å; I1237-S1241 PolarHBondContact O-N 3.28Å |
| 1238 | S | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.7 | -39.5 | -178.2 | 67.3 | 0 | 0 | 0 | 0 | 112 | S1234 G1235 S1241 I1242 Y1339 F1345 | S1234-S1238 PolarHBondContact O-N 2.9Å; S1234-S1238 VanDerWaalsContact O-N 3.07Å; G1235-S1238 WeakPolarHBondContact CA-OG 3.48Å; G1235-S1238 PolarHBondContact O-OG 2.61Å; S1238-S1241 WeakPolarHBondContact O-CB 3.27Å; S1238-S1241 PolarHBondContact O-N 3.06Å; S1238-I1242 PolarHBondContact O-N 3.03Å; S1238-Y1339 WeakPolarHBondContact CB-OH 3.38Å; S1238-Y1339 PolarHBondContact OG-OH 3.26Å; S1238-F1345 WeakPolarHBondContact O-CD2 3.35Å; S1238-F1345 WeakPolarHBondContact O-CE2 3.31Å |
| 1239 | L | 88.6 | Confident | 86.5 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 22% | 0.22 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 172.1 | 178.4 | 61.7 | 0 | 0 | 0 | 111.6 | G1235 I1237 S1241 I1242 N1243 | G1235-L1239 VanDerWaalsContact O-CB 3.32Å; G1235-L1239 WeakPolarHBondContact O-CB 3.41Å; G1235-L1239 PolarHBondContact O-N 3.46Å; I1237-L1239 PolarHBondContact O-N 3.38Å; L1239-S1241 VanDerWaalsContact C-N 3.26Å; L1239-S1241 PolarHBondContact O-N 3.17Å; L1239-I1242 PolarHBondContact O-N 2.83Å; L1239-I1242 VanDerWaalsContact O-N 3.12Å; L1239-N1243 PolarHBondContact O-N 2.96Å; L1239-N1243 PolarHBondContact O-OD1 3.39Å |
| 1240 | A | 89.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 5% | 0.05 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V1192 E1236 I1237 I1242 N1243 C1244 | V1192-A1240 HydrophobicContact CB-CB 4.17Å; V1192-A1240 HydrophobicContact CG1-CB 3.75Å; V1192-A1240 HydrophobicContact CG2-CB 3.73Å; E1236-A1240 WeakPolarHBondContact O-CB 3.28Å; E1236-A1240 PolarHBondContact O-N 2.66Å; I1237-A1240 WeakPolarHBondContact O-CB 3.22Å; I1237-A1240 PolarHBondContact O-N 3.05Å; A1240-I1242 PolarHBondContact O-N 3.13Å; A1240-N1243 PolarHBondContact O-N 3.4Å; A1240-C1244 WeakPolarHBondContact O-CB 3.37Å; A1240-C1244 PolarHBondContact O-N 3.22Å; A1240-C1244 PolarHBondContact O-SG 3.46Å |
| 1241 | S | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 113 | L1226 T1229 I1237 S1238 L1239 C1244 M1245 | L1226-S1241 PolarHBondContact O-OG 3.47Å; T1229-S1241 WeakPolarHBondContact OG1-CB 3.48Å; T1229-S1241 PolarHBondContact OG1-OG 3.02Å; I1237-S1241 PolarHBondContact O-N 3.28Å; S1238-S1241 WeakPolarHBondContact O-CB 3.27Å; S1238-S1241 PolarHBondContact O-N 3.06Å; L1239-S1241 VanDerWaalsContact C-N 3.26Å; L1239-S1241 PolarHBondContact O-N 3.17Å; S1241-C1244 PolarHBondContact O-N 3.06Å; S1241-M1245 WeakPolarHBondContact O-CG 3.45Å; S1241-M1245 PolarHBondContact O-N 3.47Å |
| 1242 | I | 91.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.7 | -60.7 | -57.2 | 0 | 0 | 0 | 110.7 | S1238 L1239 A1240 C1244 M1245 Q1246 I1282 F1345 Y1349 L1352 | S1238-I1242 PolarHBondContact O-N 3.03Å; L1239-I1242 PolarHBondContact O-N 2.83Å; L1239-I1242 VanDerWaalsContact O-N 3.12Å; A1240-I1242 PolarHBondContact O-N 3.13Å; I1242-C1244 VanDerWaalsContact C-N 3.34Å; I1242-C1244 PolarHBondContact O-N 3.37Å; I1242-M1245 WeakPolarHBondContact O-CB 3.41Å; I1242-M1245 PolarHBondContact O-N 3.3Å; I1242-Q1246 PolarHBondContact O-N 2.96Å; I1242-I1282 HydrophobicContact CD1-CG2 4.01Å; I1242-F1345 HydrophobicContact CD1-CD2 4.41Å; I1242-F1345 HydrophobicContact CD1-CE2 3.78Å; I1242-F1345 HydrophobicContact CD1-CZ 4.1Å; I1242-F1345 HydrophobicContact CG1-CD2 3.53Å; I1242-F1345 HydrophobicContact CG1-CE2 3.37Å; I1242-F1345 HydrophobicContact CG1-CG 4.38Å; I1242-F1345 HydrophobicContact CG1-CZ 4.1Å; I1242-Y1349 HydrophobicContact CD1-CD2 4.08Å; I1242-L1352 HydrophobicContact CG2-CD1 3.83Å; I1242-L1352 WeakPolarHBondContact O-CD1 3.42Å |
| 1243 | N | 90.2 | Very high | 85.1 | Confident | 58 Ų | 58 | 38.9 Ų | 38.9 | 31% | 0.31 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.8 | -64.5 | -8.9 | 0 | 0 | 0 | 111.1 | L1239 A1240 Q1246 I1247 | L1239-N1243 PolarHBondContact O-N 2.96Å; L1239-N1243 PolarHBondContact O-OD1 3.39Å; A1240-N1243 PolarHBondContact O-N 3.4Å; N1243-Q1246 WeakPolarHBondContact O-CB 3.39Å; N1243-Q1246 PolarHBondContact O-N 3.25Å; N1243-I1247 WeakPolarHBondContact O-CB 3.28Å; N1243-I1247 WeakPolarHBondContact O-CD1 3.36Å; N1243-I1247 WeakPolarHBondContact O-CG1 3.46Å; N1243-I1247 PolarHBondContact O-N 3.35Å |
| 1244 | C | 91.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 173.4 | -75 | 0 | 0 | 0 | 0 | 112.3 | T1196 S1199 L1226 A1240 S1241 I1242 I1247 L1248 | T1196-C1244 VanDerWaalsContact CA-SG 3.53Å; S1199-C1244 WeakPolarHBondContact OG-CB 3.4Å; L1226-C1244 HydrophobicContact CD2-CB 3.36Å; A1240-C1244 WeakPolarHBondContact O-CB 3.37Å; A1240-C1244 PolarHBondContact O-N 3.22Å; A1240-C1244 PolarHBondContact O-SG 3.46Å; S1241-C1244 PolarHBondContact O-N 3.06Å; I1242-C1244 VanDerWaalsContact C-N 3.34Å; I1242-C1244 PolarHBondContact O-N 3.37Å; C1244-I1247 WeakPolarHBondContact O-CB 3.41Å; C1244-I1247 PolarHBondContact O-N 3.29Å; C1244-L1248 VanDerWaalsContact O-CG 3.29Å; C1244-L1248 WeakPolarHBondContact O-CG 3.47Å; C1244-L1248 PolarHBondContact O-N 3.39Å |
| 1245 | M | 91.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -48.2 | 171.4 | -78.1 | -169.3 | 76.5 | 0 | 0 | 110.8 | L1226 S1241 I1242 I1247 L1248 L1249 Y1275 T1278 W1279 I1282 L1352 | L1226-M1245 HydrophobicContact CB-CG 4.37Å; L1226-M1245 HydrophobicContact CD1-CG 4Å; S1241-M1245 WeakPolarHBondContact O-CG 3.45Å; S1241-M1245 PolarHBondContact O-N 3.47Å; I1242-M1245 WeakPolarHBondContact O-CB 3.41Å; I1242-M1245 PolarHBondContact O-N 3.3Å; M1245-I1247 VanDerWaalsContact C-N 3.31Å; M1245-I1247 PolarHBondContact O-N 2.93Å; M1245-L1248 WeakPolarHBondContact O-CB 3.5Å; M1245-L1248 PolarHBondContact O-N 3.4Å; M1245-L1249 PolarHBondContact O-N 3.18Å; M1245-Y1275 HydrophobicContact CB-CE2 4.34Å; M1245-Y1275 WeakPolarHBondContact CB-OH 3.31Å; M1245-Y1275 HydrophobicContact CE-CD1 4.17Å; M1245-Y1275 HydrophobicContact CE-CD2 4.22Å; M1245-Y1275 HydrophobicContact CE-CE1 3.75Å; M1245-Y1275 HydrophobicContact CE-CE2 3.84Å; M1245-Y1275 HydrophobicContact CE-CG 4.38Å; M1245-Y1275 PolarHBondContact O-OH 3.21Å; M1245-T1278 HydrophobicContact CE-CG2 4.11Å; M1245-T1278 HydrophobicContact SD-CG2 4.39Å; M1245-W1279 HydrophobicContact CE-CB 4.28Å; M1245-I1282 HydrophobicContact SD-CD1 3.54Å; M1245-I1282 VanDerWaalsContact SD-CD1 3.54Å; M1245-L1352 HydrophobicContact CB-CD1 3.84Å |
| 1246 | Q | 90.1 | Very high | 81.7 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 177.6 | -177 | -178.4 | -2.8 | 0 | 0 | 112 | I1242 N1243 L1248 L1249 L1352 | I1242-Q1246 PolarHBondContact O-N 2.96Å; N1243-Q1246 WeakPolarHBondContact O-CB 3.39Å; N1243-Q1246 PolarHBondContact O-N 3.25Å; Q1246-L1248 VanDerWaalsContact C-N 3.33Å; Q1246-L1248 PolarHBondContact O-N 3.12Å; Q1246-L1249 WeakPolarHBondContact O-CB 3.39Å; Q1246-L1249 PolarHBondContact O-N 3.27Å; Q1246-L1352 HydrophobicContact CB-CD1 3.97Å; Q1246-L1352 HydrophobicContact CB-CG 4.38Å |
| 1247 | I | 87.4 | Confident | 79.9 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 174.4 | -75.5 | 159.9 | 0 | 0 | 0 | 109.8 | I1203 N1243 C1244 M1245 L1249 D1250 | I1203-I1247 HydrophobicContact CD1-CB 4.23Å; I1203-I1247 HydrophobicContact CD1-CG2 3.13Å; I1203-I1247 WeakPolarHBondContact CD1-O 3.42Å; N1243-I1247 WeakPolarHBondContact O-CB 3.28Å; N1243-I1247 WeakPolarHBondContact O-CD1 3.36Å; N1243-I1247 WeakPolarHBondContact O-CG1 3.46Å; N1243-I1247 PolarHBondContact O-N 3.35Å; C1244-I1247 WeakPolarHBondContact O-CB 3.41Å; C1244-I1247 PolarHBondContact O-N 3.29Å; M1245-I1247 VanDerWaalsContact C-N 3.31Å; M1245-I1247 PolarHBondContact O-N 2.93Å; I1247-L1249 PolarHBondContact O-N 3.24Å; I1247-D1250 PolarHBondContact O-N 3.5Å |
| 1248 | L | 89.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -7.7 | -179.8 | -68 | 177.8 | 0 | 0 | 0 | 116 | F1202 I1203 W1219 L1222 L1226 C1244 M1245 Q1246 D1250 I1251 Y1275 | F1202-L1248 HydrophobicContact CB-CD2 3.81Å; I1203-L1248 HydrophobicContact CD1-CD2 4.28Å; I1203-L1248 HydrophobicContact CG1-CD2 4.35Å; W1219-L1248 HydrophobicContact CH2-CB 3.95Å; W1219-L1248 HydrophobicContact CH2-CD1 4.28Å; W1219-L1248 HydrophobicContact CH2-CG 4.49Å; W1219-L1248 HydrophobicContact CZ3-CB 4.31Å; W1219-L1248 HydrophobicContact CZ3-CD1 4.12Å; W1219-L1248 HydrophobicContact CZ3-CD2 4.08Å; W1219-L1248 HydrophobicContact CZ3-CG 4.4Å; L1222-L1248 HydrophobicContact CD2-CD1 3.76Å; L1222-L1248 HydrophobicContact CD2-CD2 4.07Å; L1222-L1248 HydrophobicContact CG-CD1 4.21Å; L1226-L1248 HydrophobicContact CD1-CD1 3.55Å; C1244-L1248 VanDerWaalsContact O-CG 3.29Å; C1244-L1248 WeakPolarHBondContact O-CG 3.47Å; C1244-L1248 PolarHBondContact O-N 3.39Å; M1245-L1248 WeakPolarHBondContact O-CB 3.5Å; M1245-L1248 PolarHBondContact O-N 3.4Å; Q1246-L1248 VanDerWaalsContact C-N 3.33Å; Q1246-L1248 PolarHBondContact O-N 3.12Å; L1248-D1250 VanDerWaalsContact C-N 3.25Å; L1248-D1250 PolarHBondContact O-N 3.45Å; L1248-I1251 HydrophobicContact CD2-CD1 4.01Å; L1248-Y1275 HydrophobicContact CB-CE2 4.47Å |
| 1249 | L | 85.3 | Confident | 75.9 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19 | 174 | -67.7 | 166 | 0 | 0 | 0 | 113.6 | M1245 Q1246 I1247 I1251 W1272 Y1275 L1352 P1355 I1356 Y1359 | M1245-L1249 PolarHBondContact O-N 3.18Å; Q1246-L1249 WeakPolarHBondContact O-CB 3.39Å; Q1246-L1249 PolarHBondContact O-N 3.27Å; I1247-L1249 PolarHBondContact O-N 3.24Å; L1249-I1251 PolarHBondContact O-N 3.14Å; L1249-W1272 HydrophobicContact CD2-CZ3 4.01Å; L1249-Y1275 HydrophobicContact CD2-CE1 3.8Å; L1249-Y1275 HydrophobicContact CD2-CE2 4.37Å; L1249-Y1275 WeakPolarHBondContact CG-OH 3.35Å; L1249-L1352 HydrophobicContact CD1-CD2 4.2Å; L1249-L1352 HydrophobicContact CD1-CG 4.09Å; L1249-P1355 HydrophobicContact CD1-CB 3.85Å; L1249-P1355 HydrophobicContact CD1-CG 3.45Å; L1249-P1355 VanDerWaalsContact CD1-CG 3.45Å; L1249-I1356 HydrophobicContact CD2-CG1 4.17Å; L1249-Y1359 HydrophobicContact CD2-CE2 4.39Å; L1249-Y1359 PolarHBondContact O-OH 3.14Å |
| 1250 | D | 82.4 | Confident | 74 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 4.1 | -177.9 | -70 | -25.9 | 0 | 0 | 0 | 113.5 | I1203 I1247 L1248 Q1252 | I1203-D1250 HydrophobicContact CG2-CB 4.35Å; I1247-D1250 PolarHBondContact O-N 3.5Å; L1248-D1250 VanDerWaalsContact C-N 3.25Å; L1248-D1250 PolarHBondContact O-N 3.45Å; D1250-Q1252 PolarHBondContact O-N 3.01Å |
| 1251 | I | 82.3 | Confident | 71.8 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.015 | 38% | 0.375 | C | S | . | . | trans | -73.3 | 119.9 | 179.4 | -66.6 | 177.5 | 0 | 0 | 0 | 110.9 | I1203 W1219 L1248 L1249 L1253 | I1203-I1251 HydrophobicContact CG1-CD1 4.19Å; I1203-I1251 HydrophobicContact CG1-CG1 3.7Å; W1219-I1251 HydrophobicContact CE3-CD1 4.42Å; W1219-I1251 HydrophobicContact CH2-CD1 3.83Å; W1219-I1251 HydrophobicContact CZ3-CD1 3.42Å; W1219-I1251 VanDerWaalsContact CZ3-CD1 3.42Å; L1248-I1251 HydrophobicContact CD2-CD1 4.01Å; L1249-I1251 PolarHBondContact O-N 3.14Å; I1251-L1253 HydrophobicContact CG2-CD1 4.03Å | ||
| 1252 | Q | 75.3 | Confident | 69.7 | Low | 153 Ų | 153 | 73.3 Ų | 73.3 | 72% | 0.715 | 42% | 0.419 | S | S | * | . | trans | -93.7 | 98.5 | -179.5 | -62.5 | -176.6 | 3.4 | 0 | 0 | 110 | D1250 | D1250-Q1252 PolarHBondContact O-N 3.01Š| ||
| 1253 | L | 69.1 | Low | 67.5 | Low | 33 Ų | 33 | 78 Ų | 78 | 17% | 0.173 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -76 | 140.5 | 173.9 | -69.3 | 83.2 | 0 | 0 | 0 | 110.8 | I1251 I1271 W1272 | I1251-L1253 HydrophobicContact CG2-CD1 4.03Å; L1253-I1271 HydrophobicContact CD2-CB 4.23Å; L1253-I1271 HydrophobicContact CD2-CD1 3.88Å; L1253-I1271 HydrophobicContact CD2-CG1 4.35Å; L1253-I1271 HydrophobicContact CD2-CG2 4.39Å; L1253-W1272 HydrophobicContact CD1-CZ2 3.87Å |
| 1254 | P | 61.9 | Low | 65.6 | Low | 74 Ų | 74 | 81.3 Ų | 81.3 | 48% | 0.481 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -59 | 130.3 | 175.2 | -23.8 | 33.5 | 0 | 0 | 0 | 111.8 | ||
| 1255 | P | 52.6 | Low | 63.7 | Low | 117 Ų | 117 | 85.4 Ų | 85.4 | 76% | 0.76 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 142.4 | 172.4 | 28.1 | -33.6 | 0 | 0 | 0 | 110.2 | S1257 | P1255-S1257 PolarHBondContact O-N 3Š|
| 1256 | Y | 46.6 | Very low | 62.1 | Low | 185 Ų | 185 | 87 Ų | 87 | 73% | 0.725 | 51% | 0.505 | S | S | * | . | trans | -36.9 | 96.7 | -176.5 | -77.8 | -91.8 | 0 | 0 | 0 | 114.3 | ||||
| 1257 | S | 44.9 | Very low | 60.7 | Low | 81 Ų | 81 | 85.1 Ų | 85.1 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | trans | -86.2 | 143.9 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | P1255 | P1255-S1257 PolarHBondContact O-N 3Š| ||
| 1258 | T | 44.2 | Very low | 59.9 | Low | 113 Ų | 113 | 85.5 Ų | 85.5 | 69% | 0.693 | 51% | 0.506 | S | S | * | . | trans | -54.4 | 147.7 | -169.8 | 45.8 | 0 | 0 | 0 | 0 | 115.1 | S1260 | T1258-S1260 PolarHBondContact O-N 3.26Š| ||
| 1259 | P | 48.7 | Very low | 59.1 | Low | 136 Ų | 136 | 90.5 Ų | 90.5 | 88% | 0.883 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -74.1 | 89.5 | -170.3 | 31.2 | -36.8 | 0 | 0 | 0 | 112.9 | ||
| 1260 | S | 47.7 | Very low | 58.8 | Low | 112 Ų | 112 | 95 Ų | 95 | 78% | 0.783 | 55% | 0.551 | S | S | * | * | trans | -144.6 | 5.5 | 168.5 | 57.9 | 0 | 0 | 0 | 0 | 115 | T1258 | T1258-S1260 PolarHBondContact O-N 3.26Š| ||
| 1261 | S | 44.5 | Very low | 58.9 | Low | 69 Ų | 69 | 89.9 Ų | 89.9 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | trans | -109.7 | 126.5 | 170.3 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | T1263 | S1261-T1263 PolarHBondContact O-N 3.2Š| ||
| 1262 | T | 47.1 | Very low | 59.1 | Low | 151 Ų | 151 | 90.2 Ų | 90.2 | 93% | 0.926 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -81.7 | 9.5 | -173.6 | 44.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1263 | T | 45.4 | Very low | 59.4 | Low | 99 Ų | 99 | 86 Ų | 86 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -97.4 | 124.4 | 170.9 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | S1261 L1265 | S1261-T1263 PolarHBondContact O-N 3.2Å; T1263-L1265 PolarHBondContact O-N 3.47Å; T1263-L1265 VanDerWaalsContact O-N 3.12Å |
| 1264 | P | 48.8 | Very low | 60.2 | Low | 128 Ų | 128 | 85.6 Ų | 85.6 | 83% | 0.831 | 51% | 0.514 | S | S | * | . | trans | -74.7 | 103.6 | 178.8 | 29.1 | -32.5 | 0 | 0 | 0 | 110.1 | ||||
| 1265 | L | 53.7 | Low | 61.6 | Low | 86 Ų | 86 | 82.1 Ų | 82.1 | 45% | 0.45 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.7 | 173 | -79.9 | 84.8 | 0 | 0 | 0 | 110.7 | T1263 T1267 | T1263-L1265 PolarHBondContact O-N 3.47Å; T1263-L1265 VanDerWaalsContact O-N 3.12Å; L1265-T1267 PolarHBondContact O-N 2.75Å |
| 1266 | P | 56.3 | Low | 63.3 | Low | 34 Ų | 34 | 77.6 Ų | 77.6 | 22% | 0.221 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 122.1 | 173.8 | -22.7 | 32.6 | 0 | 0 | 0 | 110.9 | F1215 S1268 I1271 | F1215-P1266 HydrophobicContact CD1-CG 4.17Å; P1266-S1268 PolarHBondContact O-N 3.48Å; P1266-I1271 HydrophobicContact CB-CD1 3.8Å; P1266-I1271 HydrophobicContact CB-CG1 4.41Å |
| 1267 | T | 62.3 | Low | 65.3 | Low | 59 Ų | 59 | 72.1 Ų | 72.1 | 36% | 0.362 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -72 | 129.3 | 177 | 60 | 0 | 0 | 0 | 0 | 109.4 | L1265 K1269 L1270 | L1265-T1267 PolarHBondContact O-N 2.75Å; T1267-K1269 PolarHBondContact O-N 3.37Å; T1267-L1270 PolarHBondContact O-N 3.42Å; T1267-L1270 WeakPolarHBondContact OG1-CD1 3.42Å |
| 1268 | S | 70.7 | Confident | 67.4 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 32% | 0.315 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -50.3 | -35.6 | -179 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | P1266 L1270 I1271 W1272 | P1266-S1268 PolarHBondContact O-N 3.48Å; S1268-L1270 PolarHBondContact O-N 3.47Å; S1268-I1271 PolarHBondContact O-N 2.99Å; S1268-W1272 VanDerWaalsContact O-CD1 3.24Å; S1268-W1272 PolarHBondContact O-N 2.83Å; S1268-W1272 VanDerWaalsContact O-N 3.14Å; S1268-W1272 VanDerWaalsContact OG-CD1 3.3Å; S1268-W1272 PolarHBondContact OG-NE1 2.99Å |
| 1269 | K | 72.1 | Confident | 69.7 | Low | 104 Ų | 104 | 63.3 Ų | 63.3 | 45% | 0.452 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 174.2 | -68.7 | -168.7 | 173.4 | -107.1 | 0 | 114.1 | T1267 S1273 D1363 | T1267-K1269 PolarHBondContact O-N 3.37Å; K1269-S1273 WeakPolarHBondContact O-CB 3.32Å; K1269-S1273 PolarHBondContact O-N 3.31Å; K1269-S1273 PolarHBondContact O-OG 3.06Å; K1269-D1363 IonicContact NZ-OD1 2.61Å; K1269-D1363 PolarHBondContact NZ-OD1 3Å; K1269-D1363 IonicContact NZ-OD2 2.81Å; K1269-D1363 PolarHBondContact NZ-OD2 3.19Å |
| 1270 | L | 77.6 | Confident | 71.6 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 53% | 0.534 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 179.3 | -80.8 | 168.6 | 0 | 0 | 0 | 111.9 | T1267 S1268 S1273 A1274 | T1267-L1270 PolarHBondContact O-N 3.42Å; T1267-L1270 WeakPolarHBondContact OG1-CD1 3.42Å; S1268-L1270 PolarHBondContact O-N 3.47Å; L1270-S1273 PolarHBondContact O-OG 2.83Å; L1270-A1274 WeakPolarHBondContact O-CB 3.43Å; L1270-A1274 PolarHBondContact O-N 3.21Å |
| 1271 | I | 84.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.7 | -48.7 | -177.3 | -65.2 | -160.3 | 0 | 0 | 0 | 111 | F1215 W1219 L1253 P1266 S1268 Y1275 | F1215-I1271 HydrophobicContact CD1-CD1 4.11Å; F1215-I1271 HydrophobicContact CE1-CD1 3.72Å; W1219-I1271 HydrophobicContact CD2-CG2 4.27Å; W1219-I1271 HydrophobicContact CZ2-CG2 3.79Å; W1219-I1271 PolarHBondContact NE1-O 2.96Å; L1253-I1271 HydrophobicContact CD2-CB 4.23Å; L1253-I1271 HydrophobicContact CD2-CD1 3.88Å; L1253-I1271 HydrophobicContact CD2-CG1 4.35Å; L1253-I1271 HydrophobicContact CD2-CG2 4.39Å; P1266-I1271 HydrophobicContact CB-CD1 3.8Å; P1266-I1271 HydrophobicContact CB-CG1 4.41Å; S1268-I1271 PolarHBondContact O-N 2.99Å; I1271-Y1275 PolarHBondContact O-N 3.39Å |
| 1272 | W | 86.6 | Confident | 75.5 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.8 | -29.8 | -179.3 | -63.5 | 121.3 | 0 | 0 | 0 | 114.1 | L1249 L1253 S1268 Y1275 W1276 Y1359 | L1249-W1272 HydrophobicContact CD2-CZ3 4.01Å; L1253-W1272 HydrophobicContact CD1-CZ2 3.87Å; S1268-W1272 VanDerWaalsContact O-CD1 3.24Å; S1268-W1272 PolarHBondContact O-N 2.83Å; S1268-W1272 VanDerWaalsContact O-N 3.14Å; S1268-W1272 VanDerWaalsContact OG-CD1 3.3Å; S1268-W1272 PolarHBondContact OG-NE1 2.99Å; W1272-Y1275 HydrophobicContact CE3-CG 4.33Å; W1272-Y1275 HydrophobicContact CZ3-CD2 4.46Å; W1272-Y1275 HydrophobicContact CZ3-CG 4.46Å; W1272-Y1275 PolarHBondContact O-N 2.81Å; W1272-W1276 WeakPolarHBondContact O-CB 3.34Å; W1272-W1276 PolarHBondContact O-N 2.82Å; W1272-Y1359 HydrophobicContact CD2-CD1 4.37Å; W1272-Y1359 HydrophobicContact CD2-CD2 4.15Å; W1272-Y1359 AromaticContact CD2-CG 3.96Å; W1272-Y1359 HydrophobicContact CD2-CG 3.96Å; W1272-Y1359 AromaticContact CE2-CD1 3.83Å; W1272-Y1359 AromaticContact CE2-CG 3.86Å; W1272-Y1359 HydrophobicContact CE3-CD2 4.1Å; W1272-Y1359 HydrophobicContact CE3-CG 4.36Å; W1272-Y1359 HydrophobicContact CG-CG 4.33Å; W1272-Y1359 HydrophobicContact CH2-CD2 4.06Å; W1272-Y1359 AromaticContact CH2-CE2 3.7Å; W1272-Y1359 HydrophobicContact CH2-CE2 3.7Å; W1272-Y1359 AromaticContact CH2-CZ 3.97Å; W1272-Y1359 HydrophobicContact CZ2-CD1 4.09Å; W1272-Y1359 HydrophobicContact CZ2-CD2 4.08Å; W1272-Y1359 AromaticContact CZ2-CE1 3.84Å; W1272-Y1359 HydrophobicContact CZ2-CE1 3.84Å; W1272-Y1359 AromaticContact CZ2-CE2 3.8Å; W1272-Y1359 HydrophobicContact CZ2-CE2 3.8Å; W1272-Y1359 HydrophobicContact CZ2-CG 4.21Å; W1272-Y1359 AromaticContact CZ2-CZ 3.67Å; W1272-Y1359 HydrophobicContact CZ3-CD2 4.07Å; W1272-Y1359 HydrophobicContact CZ3-CE2 4.1Å; W1272-Y1359 AromaticContact NE1-CD1 3.81Å |
| 1273 | S | 82.8 | Confident | 77.3 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 173.4 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | K1269 L1270 Y1275 W1276 E1277 | K1269-S1273 WeakPolarHBondContact O-CB 3.32Å; K1269-S1273 PolarHBondContact O-N 3.31Å; K1269-S1273 PolarHBondContact O-OG 3.06Å; L1270-S1273 PolarHBondContact O-OG 2.83Å; S1273-Y1275 VanDerWaalsContact C-N 3.3Å; S1273-Y1275 PolarHBondContact O-N 3.14Å; S1273-W1276 PolarHBondContact O-N 3.06Å; S1273-E1277 PolarHBondContact O-N 2.85Å |
| 1274 | A | 85.3 | Confident | 79.1 | Confident | 26 Ų | 26 | 43.6 Ų | 43.6 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1223 L1270 T1278 | L1223-A1274 HydrophobicContact CD1-CB 4.11Å; L1270-A1274 WeakPolarHBondContact O-CB 3.43Å; L1270-A1274 PolarHBondContact O-N 3.21Å; A1274-T1278 WeakPolarHBondContact O-CB 3.44Å; A1274-T1278 PolarHBondContact O-N 3.25Å; A1274-T1278 PolarHBondContact O-OG1 2.87Å |
| 1275 | Y | 90.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 175.4 | -169.7 | -75.8 | 0 | 0 | 0 | 112.1 | W1219 L1223 M1245 L1248 L1249 I1271 W1272 S1273 T1278 W1279 L1352 I1356 | W1219-Y1275 AromaticContact CZ2-CD2 3.95Å; W1219-Y1275 HydrophobicContact CZ2-CD2 3.95Å; L1223-Y1275 HydrophobicContact CD2-CD2 3.95Å; L1223-Y1275 HydrophobicContact CD2-CE2 4.49Å; M1245-Y1275 HydrophobicContact CB-CE2 4.34Å; M1245-Y1275 WeakPolarHBondContact CB-OH 3.31Å; M1245-Y1275 HydrophobicContact CE-CD1 4.17Å; M1245-Y1275 HydrophobicContact CE-CD2 4.22Å; M1245-Y1275 HydrophobicContact CE-CE1 3.75Å; M1245-Y1275 HydrophobicContact CE-CE2 3.84Å; M1245-Y1275 HydrophobicContact CE-CG 4.38Å; M1245-Y1275 PolarHBondContact O-OH 3.21Å; L1248-Y1275 HydrophobicContact CB-CE2 4.47Å; L1249-Y1275 HydrophobicContact CD2-CE1 3.8Å; L1249-Y1275 HydrophobicContact CD2-CE2 4.37Å; L1249-Y1275 WeakPolarHBondContact CG-OH 3.35Å; I1271-Y1275 PolarHBondContact O-N 3.39Å; W1272-Y1275 HydrophobicContact CE3-CG 4.33Å; W1272-Y1275 HydrophobicContact CZ3-CD2 4.46Å; W1272-Y1275 HydrophobicContact CZ3-CG 4.46Å; W1272-Y1275 PolarHBondContact O-N 2.81Å; S1273-Y1275 VanDerWaalsContact C-N 3.3Å; S1273-Y1275 PolarHBondContact O-N 3.14Å; Y1275-T1278 WeakPolarHBondContact O-CB 3.49Å; Y1275-T1278 PolarHBondContact O-N 3.34Å; Y1275-W1279 PolarHBondContact O-N 2.86Å; Y1275-L1352 HydrophobicContact CE1-CD2 3.88Å; Y1275-L1352 VanDerWaalsContact OH-CD2 3.31Å; Y1275-L1352 WeakPolarHBondContact OH-CD2 3.48Å; Y1275-I1356 HydrophobicContact CD1-CD1 4.27Å; Y1275-I1356 HydrophobicContact CD1-CG1 3.99Å; Y1275-I1356 HydrophobicContact CE1-CD1 3.79Å; Y1275-I1356 HydrophobicContact CE1-CG1 3.54Å |
| 1276 | W | 89.5 | Confident | 81.7 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 177.3 | 171.1 | -121 | 0 | 0 | 0 | 112.6 | W1272 S1273 T1278 W1279 L1280 F1353 I1356 I1360 F1364 D1368 | W1272-W1276 WeakPolarHBondContact O-CB 3.34Å; W1272-W1276 PolarHBondContact O-N 2.82Å; S1273-W1276 PolarHBondContact O-N 3.06Å; W1276-T1278 VanDerWaalsContact C-N 3.31Å; W1276-T1278 PolarHBondContact O-N 2.72Å; W1276-W1279 AromaticContact CE3-CE3 3.76Å; W1276-W1279 HydrophobicContact CE3-CE3 3.76Å; W1276-W1279 HydrophobicContact CE3-CZ3 4.31Å; W1276-W1279 AromaticContact CH2-CE3 3.98Å; W1276-W1279 HydrophobicContact CH2-CE3 3.98Å; W1276-W1279 AromaticContact CH2-CZ3 3.7Å; W1276-W1279 HydrophobicContact CH2-CZ3 3.7Å; W1276-W1279 HydrophobicContact CZ3-CD2 4.23Å; W1276-W1279 AromaticContact CZ3-CE3 3.28Å; W1276-W1279 HydrophobicContact CZ3-CE3 3.28Å; W1276-W1279 HydrophobicContact CZ3-CH2 4.38Å; W1276-W1279 AromaticContact CZ3-CZ3 3.38Å; W1276-W1279 HydrophobicContact CZ3-CZ3 3.38Å; W1276-W1279 PolarHBondContact O-N 3.03Å; W1276-L1280 HydrophobicContact CD2-CD1 4.18Å; W1276-L1280 HydrophobicContact CD2-CG 4.09Å; W1276-L1280 HydrophobicContact CE3-CG 4.38Å; W1276-L1280 HydrophobicContact CH2-CD2 3.86Å; W1276-L1280 HydrophobicContact CH2-CG 4.15Å; W1276-L1280 HydrophobicContact CZ2-CD1 3.71Å; W1276-L1280 HydrophobicContact CZ2-CD2 3.75Å; W1276-L1280 HydrophobicContact CZ2-CG 3.79Å; W1276-L1280 HydrophobicContact CZ3-CD2 4.43Å; W1276-L1280 HydrophobicContact CZ3-CG 4.43Å; W1276-L1280 PolarHBondContact O-N 3.29Å; W1276-F1353 HydrophobicContact CH2-CD2 4.49Å; W1276-F1353 HydrophobicContact CH2-CE2 4.29Å; W1276-F1353 HydrophobicContact CZ3-CD2 4.13Å; W1276-F1353 HydrophobicContact CZ3-CE2 4.27Å; W1276-I1356 HydrophobicContact CE3-CG2 3.84Å; W1276-I1360 HydrophobicContact CB-CD1 4.49Å; W1276-I1360 HydrophobicContact CB-CG2 4.24Å; W1276-I1360 HydrophobicContact CD2-CD1 3.4Å; W1276-I1360 VanDerWaalsContact CD2-CD1 3.4Å; W1276-I1360 HydrophobicContact CE3-CD1 3.49Å; W1276-I1360 VanDerWaalsContact CE3-CD1 3.49Å; W1276-I1360 HydrophobicContact CG-CD1 3.87Å; W1276-I1360 HydrophobicContact CH2-CD1 4.15Å; W1276-I1360 HydrophobicContact CZ2-CD1 4.1Å; W1276-I1360 HydrophobicContact CZ3-CD1 3.85Å; W1276-F1364 HydrophobicContact CH2-CE2 4.14Å; W1276-F1364 HydrophobicContact CZ2-CE2 4.09Å; W1276-D1368 HydrophobicContact CZ2-CB 4Å; W1276-D1368 PolarHBondContact NE1-OD1 2.8Å |
| 1277 | E | 88 | Confident | 82.4 | Confident | 70 Ų | 70 | 39.6 Ų | 39.6 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.2 | -35.8 | 178.4 | -178.1 | 56.3 | -147 | 0 | 0 | 111.2 | S1273 L1280 Q1281 R1371 | S1273-E1277 PolarHBondContact O-N 2.85Å; E1277-L1280 PolarHBondContact O-N 3.47Å; E1277-Q1281 WeakPolarHBondContact O-CB 3.19Å; E1277-Q1281 VanDerWaalsContact O-CG 3.25Å; E1277-Q1281 WeakPolarHBondContact O-CG 3.3Å; E1277-Q1281 PolarHBondContact O-N 3.23Å; E1277-Q1281 WeakPolarHBondContact OE1-CG 3.4Å; E1277-Q1281 PolarHBondContact OE1-NE2 3.42Å; E1277-R1371 IonicContact OE2-NH1 2.63Å |
| 1278 | T | 89.8 | Confident | 82.6 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 171.7 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | K1227 M1245 A1274 Y1275 W1276 L1280 Q1281 I1282 | K1227-T1278 HydrophobicContact CB-CG2 4.1Å; M1245-T1278 HydrophobicContact CE-CG2 4.11Å; M1245-T1278 HydrophobicContact SD-CG2 4.39Å; A1274-T1278 WeakPolarHBondContact O-CB 3.44Å; A1274-T1278 PolarHBondContact O-N 3.25Å; A1274-T1278 PolarHBondContact O-OG1 2.87Å; Y1275-T1278 WeakPolarHBondContact O-CB 3.49Å; Y1275-T1278 PolarHBondContact O-N 3.34Å; W1276-T1278 VanDerWaalsContact C-N 3.31Å; W1276-T1278 PolarHBondContact O-N 2.72Å; T1278-L1280 PolarHBondContact O-N 3.27Å; T1278-Q1281 PolarHBondContact O-N 2.91Å; T1278-I1282 HydrophobicContact CG2-CD1 3.97Å; T1278-I1282 VanDerWaalsContact O-CG1 3.31Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.25Å; T1278-I1282 PolarHBondContact O-N 3.24Å |
| 1279 | W | 92.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 176.1 | -177.5 | 89.3 | 0 | 0 | 0 | 112.1 | M1245 Y1275 W1276 I1282 G1283 Y1349 F1353 I1356 L1372 L1375 | M1245-W1279 HydrophobicContact CE-CB 4.28Å; Y1275-W1279 PolarHBondContact O-N 2.86Å; W1276-W1279 AromaticContact CE3-CE3 3.76Å; W1276-W1279 HydrophobicContact CE3-CE3 3.76Å; W1276-W1279 HydrophobicContact CE3-CZ3 4.31Å; W1276-W1279 AromaticContact CH2-CE3 3.98Å; W1276-W1279 HydrophobicContact CH2-CE3 3.98Å; W1276-W1279 AromaticContact CH2-CZ3 3.7Å; W1276-W1279 HydrophobicContact CH2-CZ3 3.7Å; W1276-W1279 HydrophobicContact CZ3-CD2 4.23Å; W1276-W1279 AromaticContact CZ3-CE3 3.28Å; W1276-W1279 HydrophobicContact CZ3-CE3 3.28Å; W1276-W1279 HydrophobicContact CZ3-CH2 4.38Å; W1276-W1279 AromaticContact CZ3-CZ3 3.38Å; W1276-W1279 HydrophobicContact CZ3-CZ3 3.38Å; W1276-W1279 PolarHBondContact O-N 3.03Å; W1279-I1282 PolarHBondContact O-N 2.89Å; W1279-G1283 PolarHBondContact O-N 3.05Å; W1279-G1283 VanDerWaalsContact O-N 3.1Å; W1279-Y1349 AromaticContact CD1-CD2 3.94Å; W1279-Y1349 AromaticContact CD1-CE2 3.52Å; W1279-Y1349 AromaticContact CD2-CE2 3.82Å; W1279-Y1349 HydrophobicContact CD2-CE2 3.82Å; W1279-Y1349 AromaticContact CD2-CZ 3.66Å; W1279-Y1349 VanDerWaalsContact CD2-OH 3.3Å; W1279-Y1349 AromaticContact CE2-CE1 3.78Å; W1279-Y1349 AromaticContact CE2-CE2 3.48Å; W1279-Y1349 VanDerWaalsContact CE2-CE2 3.48Å; W1279-Y1349 AromaticContact CE2-CZ 3.26Å; W1279-Y1349 AromaticContact CG-CE2 3.85Å; W1279-Y1349 HydrophobicContact CG-CE2 3.85Å; W1279-Y1349 AromaticContact CH2-CE1 3.91Å; W1279-Y1349 HydrophobicContact CH2-CE1 3.91Å; W1279-Y1349 AromaticContact CH2-CZ 3.86Å; W1279-Y1349 WeakPolarHBondContact CH2-OH 3.29Å; W1279-Y1349 HydrophobicContact CZ2-CD1 4.06Å; W1279-Y1349 AromaticContact CZ2-CE1 3.42Å; W1279-Y1349 HydrophobicContact CZ2-CE1 3.42Å; W1279-Y1349 VanDerWaalsContact CZ2-CE1 3.42Å; W1279-Y1349 HydrophobicContact CZ2-CE2 4.04Å; W1279-Y1349 AromaticContact CZ2-CZ 3.38Å; W1279-Y1349 WeakPolarHBondContact CZ2-OH 3.46Å; W1279-Y1349 WeakPolarHBondContact CZ3-OH 3.38Å; W1279-Y1349 AromaticContact NE1-CD2 3.56Å; W1279-Y1349 AromaticContact NE1-CE2 3.29Å; W1279-Y1349 VanDerWaalsContact NE1-CE2 3.29Å; W1279-Y1349 AromaticContact NE1-CZ 3.61Å; W1279-Y1349 PolarHBondContact NE1-O 3.4Å; W1279-Y1349 VanDerWaalsContact O-CE2 3.24Å; W1279-Y1349 WeakPolarHBondContact O-CE2 3.43Å; W1279-Y1349 PolarHBondContact O-OH 3.23Å; W1279-F1353 HydrophobicContact CH2-CB 4.13Å; W1279-F1353 HydrophobicContact CH2-CD2 4.08Å; W1279-F1353 HydrophobicContact CH2-CG 4.45Å; W1279-F1353 HydrophobicContact CZ2-CB 3.79Å; W1279-F1353 HydrophobicContact CZ2-CD2 4.5Å; W1279-F1353 HydrophobicContact CZ3-CD2 4.43Å; W1279-I1356 HydrophobicContact CB-CD1 3.9Å; W1279-I1356 HydrophobicContact CD2-CD1 3.81Å; W1279-I1356 HydrophobicContact CG-CD1 3.46Å; W1279-I1356 VanDerWaalsContact CG-CD1 3.46Å; W1279-L1372 HydrophobicContact CH2-CD1 3.78Å; W1279-L1372 HydrophobicContact CZ3-CD1 4.26Å; W1279-L1375 HydrophobicContact CH2-CD1 4.07Å; W1279-L1375 HydrophobicContact CZ3-CD1 3.88Å |
| 1280 | L | 88.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.3 | -79.6 | -179.7 | 0 | 0 | 0 | 112.7 | W1276 E1277 T1278 I1282 G1283 K1284 R1371 L1375 | W1276-L1280 HydrophobicContact CD2-CD1 4.18Å; W1276-L1280 HydrophobicContact CD2-CG 4.09Å; W1276-L1280 HydrophobicContact CE3-CG 4.38Å; W1276-L1280 HydrophobicContact CH2-CD2 3.86Å; W1276-L1280 HydrophobicContact CH2-CG 4.15Å; W1276-L1280 HydrophobicContact CZ2-CD1 3.71Å; W1276-L1280 HydrophobicContact CZ2-CD2 3.75Å; W1276-L1280 HydrophobicContact CZ2-CG 3.79Å; W1276-L1280 HydrophobicContact CZ3-CD2 4.43Å; W1276-L1280 HydrophobicContact CZ3-CG 4.43Å; W1276-L1280 PolarHBondContact O-N 3.29Å; E1277-L1280 PolarHBondContact O-N 3.47Å; T1278-L1280 PolarHBondContact O-N 3.27Å; L1280-I1282 VanDerWaalsContact C-N 3.34Å; L1280-G1283 PolarHBondContact O-N 2.97Å; L1280-K1284 WeakPolarHBondContact O-CB 3.36Å; L1280-K1284 VanDerWaalsContact O-CG 3.3Å; L1280-K1284 WeakPolarHBondContact O-CG 3.1Å; L1280-K1284 PolarHBondContact O-N 3.42Å; L1280-R1371 HydrophobicContact CD2-CB 4.29Å; L1280-L1375 HydrophobicContact CD2-CD1 4.07Å |
| 1281 | Q | 86.7 | Confident | 80.1 | Confident | 67 Ų | 67 | 33.6 Ų | 33.6 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.7 | -74.3 | 175.4 | 19.5 | 0 | 0 | 111.5 | E1277 T1278 R1285 | E1277-Q1281 WeakPolarHBondContact O-CB 3.19Å; E1277-Q1281 VanDerWaalsContact O-CG 3.25Å; E1277-Q1281 WeakPolarHBondContact O-CG 3.3Å; E1277-Q1281 PolarHBondContact O-N 3.23Å; E1277-Q1281 WeakPolarHBondContact OE1-CG 3.4Å; E1277-Q1281 PolarHBondContact OE1-NE2 3.42Å; T1278-Q1281 PolarHBondContact O-N 2.91Å; Q1281-R1285 PolarHBondContact O-N 2.9Å |
| 1282 | I | 87.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 176.3 | -67.8 | 166.1 | 0 | 0 | 0 | 111.4 | A1230 Y1231 I1242 M1245 T1278 W1279 L1280 R1285 A1286 F1345 Y1349 | A1230-I1282 HydrophobicContact CB-CD1 3.95Å; A1230-I1282 HydrophobicContact CB-CG1 3.99Å; A1230-I1282 HydrophobicContact CB-CG2 4.11Å; Y1231-I1282 HydrophobicContact CE1-CG1 4.18Å; I1242-I1282 HydrophobicContact CD1-CG2 4.01Å; M1245-I1282 HydrophobicContact SD-CD1 3.54Å; M1245-I1282 VanDerWaalsContact SD-CD1 3.54Å; T1278-I1282 HydrophobicContact CG2-CD1 3.97Å; T1278-I1282 VanDerWaalsContact O-CG1 3.31Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.25Å; T1278-I1282 PolarHBondContact O-N 3.24Å; W1279-I1282 PolarHBondContact O-N 2.89Å; L1280-I1282 VanDerWaalsContact C-N 3.34Å; I1282-R1285 PolarHBondContact O-N 3.32Å; I1282-A1286 PolarHBondContact O-N 3.41Å; I1282-F1345 HydrophobicContact CG2-CZ 3.77Å; I1282-Y1349 HydrophobicContact CB-CE2 4.26Å; I1282-Y1349 HydrophobicContact CG2-CD2 4.14Å; I1282-Y1349 HydrophobicContact CG2-CE2 4.07Å |
| 1283 | G | 84.5 | Confident | 76.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1279 L1280 R1285 A1286 I1287 Y1349 | W1279-G1283 PolarHBondContact O-N 3.05Å; W1279-G1283 VanDerWaalsContact O-N 3.1Å; L1280-G1283 PolarHBondContact O-N 2.97Å; G1283-R1285 VanDerWaalsContact C-N 3.31Å; G1283-R1285 PolarHBondContact O-N 3.45Å; G1283-A1286 PolarHBondContact O-N 2.93Å; G1283-I1287 PolarHBondContact O-N 2.77Å; G1283-Y1349 WeakPolarHBondContact CA-OH 3.47Å; G1283-Y1349 PolarHBondContact N-OH 2.95Å |
| 1284 | K | 83.1 | Confident | 74.2 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.9 | -41.9 | 176.9 | -77.2 | 173.8 | -178.9 | 171.5 | 0 | 111.9 | L1280 I1287 A1288 | L1280-K1284 WeakPolarHBondContact O-CB 3.36Å; L1280-K1284 VanDerWaalsContact O-CG 3.3Å; L1280-K1284 WeakPolarHBondContact O-CG 3.1Å; L1280-K1284 PolarHBondContact O-N 3.42Å; K1284-I1287 PolarHBondContact O-N 3.42Å; K1284-A1288 WeakPolarHBondContact O-CB 3.15Å; K1284-A1288 PolarHBondContact O-N 3.02Å |
| 1285 | R | 78.8 | Confident | 71.9 | Confident | 145 Ų | 145 | 47 Ų | 47 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.6 | -35.2 | 177.7 | -174.7 | 152.6 | 170.4 | 172.5 | 0.4 | 112.5 | Y1231 Q1281 I1282 G1283 I1287 | Y1231-R1285 HydrophobicContact CD1-CB 4.3Å; Y1231-R1285 HydrophobicContact CD1-CG 4.04Å; Y1231-R1285 VanDerWaalsContact CD2-NH1 3.29Å; Y1231-R1285 HydrophobicContact CE1-CB 3.78Å; Y1231-R1285 HydrophobicContact CE1-CG 3.99Å; Q1281-R1285 PolarHBondContact O-N 2.9Å; I1282-R1285 PolarHBondContact O-N 3.32Å; G1283-R1285 VanDerWaalsContact C-N 3.31Å; G1283-R1285 PolarHBondContact O-N 3.45Å; R1285-I1287 VanDerWaalsContact C-N 3.31Å; R1285-I1287 PolarHBondContact O-N 3.23Å |
| 1286 | A | 77.5 | Confident | 69.2 | Low | 11 Ų | 11 | 55 Ų | 55 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1282 G1283 P1341 F1345 | I1282-A1286 PolarHBondContact O-N 3.41Å; G1283-A1286 PolarHBondContact O-N 2.93Å; A1286-P1341 HydrophobicContact CB-CB 4.45Å; A1286-P1341 HydrophobicContact CB-CG 4.29Å; A1286-F1345 HydrophobicContact CB-CE1 4.13Å |
| 1287 | I | 71 | Confident | 66.5 | Low | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -89.4 | -28.6 | -179.7 | -78.6 | 172.2 | 0 | 0 | 0 | 113.8 | G1283 K1284 R1285 F1289 A1290 L1375 I1378 I1382 | G1283-I1287 PolarHBondContact O-N 2.77Å; K1284-I1287 PolarHBondContact O-N 3.42Å; R1285-I1287 VanDerWaalsContact C-N 3.31Å; R1285-I1287 PolarHBondContact O-N 3.23Å; I1287-F1289 PolarHBondContact O-N 3.41Å; I1287-A1290 WeakPolarHBondContact O-CB 3.32Å; I1287-A1290 PolarHBondContact O-N 2.83Å; I1287-L1375 HydrophobicContact CD1-CB 4.22Å; I1287-L1375 HydrophobicContact CD1-CD2 3.64Å; I1287-L1375 WeakPolarHBondContact CD1-O 3.3Å; I1287-I1378 HydrophobicContact CD1-CB 4.13Å; I1287-I1378 HydrophobicContact CD1-CG2 4.42Å; I1287-I1378 HydrophobicContact CG1-CB 4.46Å; I1287-I1378 HydrophobicContact CG1-CG2 4.23Å; I1287-I1378 HydrophobicContact CG2-CB 4.1Å; I1287-I1378 HydrophobicContact CG2-CD1 3.88Å; I1287-I1378 HydrophobicContact CG2-CG2 3.83Å; I1287-I1382 HydrophobicContact CD1-CD1 4.45Å; I1287-I1382 HydrophobicContact CG1-CD1 3.8Å |
| 1288 | A | 67.6 | Low | 63.6 | Low | 45 Ų | 45 | 63.1 Ų | 63.1 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.7 | -30.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | K1284 A1290 Q1291 S1292 | K1284-A1288 WeakPolarHBondContact O-CB 3.15Å; K1284-A1288 PolarHBondContact O-N 3.02Å; A1288-A1290 VanDerWaalsContact C-N 3.3Å; A1288-A1290 PolarHBondContact O-N 2.89Å; A1288-Q1291 PolarHBondContact O-N 3.2Å; A1288-S1292 WeakPolarHBondContact O-CB 3.42Å; A1288-S1292 PolarHBondContact O-N 2.82Å |
| 1289 | F | 61.5 | Low | 60.6 | Low | 27 Ų | 27 | 69.5 Ų | 69.5 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -53.3 | -40.9 | 171.5 | 172.1 | -120.8 | 0 | 0 | 0 | 114.1 | I1287 Q1291 S1292 V1338 L1340 I1386 F1390 | I1287-F1289 PolarHBondContact O-N 3.41Å; F1289-Q1291 PolarHBondContact O-N 3.3Å; F1289-S1292 PolarHBondContact O-OG 3.24Å; F1289-V1338 HydrophobicContact CD2-CG1 3.3Å; F1289-V1338 HydrophobicContact CE2-CB 4.26Å; F1289-V1338 HydrophobicContact CE2-CG1 3.47Å; F1289-V1338 VanDerWaalsContact CE2-CG1 3.47Å; F1289-V1338 HydrophobicContact CG-CG1 4.43Å; F1289-L1340 HydrophobicContact CE1-CD1 3.96Å; F1289-L1340 HydrophobicContact CE1-CG 3.79Å; F1289-L1340 HydrophobicContact CE2-CD1 3.86Å; F1289-L1340 HydrophobicContact CZ-CD1 3.34Å; F1289-L1340 HydrophobicContact CZ-CD2 4.47Å; F1289-L1340 HydrophobicContact CZ-CG 3.69Å; F1289-I1386 HydrophobicContact CE1-CG1 4.16Å; F1289-F1390 HydrophobicContact CE1-CE2 4.45Å; F1289-F1390 HydrophobicContact CE2-CE2 4.11Å; F1289-F1390 HydrophobicContact CE2-CZ 4.34Å; F1289-F1390 HydrophobicContact CZ-CD2 4.23Å; F1289-F1390 AromaticContact CZ-CE2 3.46Å; F1289-F1390 HydrophobicContact CZ-CE2 3.46Å; F1289-F1390 VanDerWaalsContact CZ-CE2 3.46Å; F1289-F1390 HydrophobicContact CZ-CZ 4.1Å |
| 1290 | A | 53.3 | Low | 57.4 | Low | 15 Ų | 15 | 74.9 Ų | 74.9 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.1 | -21.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1287 A1288 I1378 Y1385 | I1287-A1290 WeakPolarHBondContact O-CB 3.32Å; I1287-A1290 PolarHBondContact O-N 2.83Å; A1288-A1290 VanDerWaalsContact C-N 3.3Å; A1288-A1290 PolarHBondContact O-N 2.89Å; A1290-I1378 HydrophobicContact CB-CG2 4.25Å; A1290-Y1385 HydrophobicContact CB-CD2 4.04Å |
| 1291 | Q | 52.7 | Low | 54.2 | Low | 97 Ų | 97 | 82.5 Ų | 82.5 | 45% | 0.453 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -98.3 | -27.8 | -176.5 | -61.6 | -177 | -2.4 | 0 | 0 | 113.3 | A1288 F1289 N1293 N1294 E1374 | A1288-Q1291 PolarHBondContact O-N 3.2Å; F1289-Q1291 PolarHBondContact O-N 3.3Å; Q1291-N1293 VanDerWaalsContact C-N 3.32Å; Q1291-N1293 PolarHBondContact O-N 3Å; Q1291-N1294 WeakPolarHBondContact O-CB 3.48Å; Q1291-N1294 PolarHBondContact O-N 3.49Å; Q1291-E1374 PolarHBondContact NE2-OE1 2.75Å |
| 1292 | S | 48.7 | Very low | 51.1 | Low | 69 Ų | 69 | 84.4 Ų | 84.4 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -68.6 | -18.8 | -164.1 | 61.6 | 0 | 0 | 0 | 0 | 116.3 | A1288 F1289 N1294 | A1288-S1292 WeakPolarHBondContact O-CB 3.42Å; A1288-S1292 PolarHBondContact O-N 2.82Å; F1289-S1292 PolarHBondContact O-OG 3.24Å; S1292-N1294 PolarHBondContact O-N 3.48Å |
| 1293 | N | 42.8 | Very low | 48.1 | Very low | 116 Ų | 116 | 89.9 Ų | 89.9 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -80.4 | 4.6 | 178.3 | -81.9 | 3.3 | 0 | 0 | 0 | 114.3 | Q1291 | Q1291-N1293 VanDerWaalsContact C-N 3.32Å; Q1291-N1293 PolarHBondContact O-N 3Å |
| 1294 | N | 37.5 | Very low | 45.1 | Very low | 107 Ų | 107 | 96.3 Ų | 96.3 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -95.7 | 12.5 | -167.5 | -140.1 | 18.9 | 0 | 0 | 0 | 115.3 | Q1291 S1292 | Q1291-N1294 WeakPolarHBondContact O-CB 3.48Å; Q1291-N1294 PolarHBondContact O-N 3.49Å; S1292-N1294 PolarHBondContact O-N 3.48Å |
| 1295 | S | 37 | Very low | 42.2 | Very low | 93 Ų | 93 | 99.8 Ų | 99.8 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | trans | -123.5 | 61.2 | -174.5 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1296 | N | 35.5 | Very low | 39.5 | Very low | 168 Ų | 168 | 97.8 Ų | 97.8 | 90% | 0.898 | 57% | 0.569 | S | S | * | * | trans | -81.4 | -0 | 162.8 | -94 | -5.4 | 0 | 0 | 0 | 113.6 | ||||
| 1297 | N | 31.2 | Very low | 37 | Very low | 150 Ų | 150 | 102.6 Ų | 102.6 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -95.1 | 119.7 | 168.1 | -82.2 | -14.4 | 0 | 0 | 0 | 110.2 | I1299 | N1297-I1299 PolarHBondContact O-N 2.79Š|
| 1298 | S | 27.9 | Very low | 34.7 | Very low | 112 Ų | 112 | 108 Ų | 108 | 78% | 0.783 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -55.5 | 119.8 | 178.6 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1299 | I | 25.8 | Very low | 32.9 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | trans | 170.9 | 117.2 | 133.1 | -84.6 | 148.8 | 0 | 0 | 0 | 105.5 | N1297 L1301 | N1297-I1299 PolarHBondContact O-N 2.79Å; I1299-L1301 PolarHBondContact O-N 3.12Å | ||
| 1300 | P | 25.3 | Very low | 31.2 | Very low | 113 Ų | 113 | 115.4 Ų | 115.4 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -70.5 | 115.2 | -179.3 | 28.3 | -32.6 | 0 | 0 | 0 | 109.7 | T1302 | P1300-T1302 VanDerWaalsContact C-N 3.34Å; P1300-T1302 PolarHBondContact O-N 3.42Å | ||
| 1301 | L | 21.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -69.7 | 94.9 | 167.6 | -91.4 | 163.6 | 0 | 0 | 0 | 108.8 | I1299 T1303 | I1299-L1301 PolarHBondContact O-N 3.12Å; L1301-T1303 PolarHBondContact O-N 2.85Å | ||
| 1302 | T | 22.8 | Very low | 28.6 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | trans | -68.5 | 74 | 168.4 | 43.6 | 0 | 0 | 0 | 0 | 110.2 | P1300 N1304 | P1300-T1302 VanDerWaalsContact C-N 3.34Å; P1300-T1302 PolarHBondContact O-N 3.42Å; T1302-N1304 PolarHBondContact O-N 3.43Å | ||
| 1303 | T | 23.4 | Very low | 27.4 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | trans | -67.8 | 89.5 | 160.5 | 47.9 | 0 | 0 | 0 | 0 | 107.9 | L1301 L1305 | L1301-T1303 PolarHBondContact O-N 2.85Å; T1303-L1305 VanDerWaalsContact C-N 3.25Å; T1303-L1305 PolarHBondContact O-N 2.69Å | ||
| 1304 | N | 22.5 | Very low | 26.6 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | -58.3 | 87.1 | 172.9 | -70.5 | -33 | 0 | 0 | 0 | 109.7 | T1302 S1306 | T1302-N1304 PolarHBondContact O-N 3.43Å; N1304-S1306 PolarHBondContact O-N 3.02Å | ||
| 1305 | L | 22.3 | Very low | 26.1 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 83.2 | 153.6 | -81.9 | 164.1 | 0 | 0 | 0 | 106.6 | T1303 V1307 | T1303-L1305 VanDerWaalsContact C-N 3.25Å; T1303-L1305 PolarHBondContact O-N 2.69Å; L1305-V1307 PolarHBondContact O-N 3.15Å | ||
| 1306 | S | 22 | Very low | 25.5 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 73.4 | 171.2 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | N1304 N1308 | N1304-S1306 PolarHBondContact O-N 3.02Å; S1306-N1308 PolarHBondContact O-N 3.16Å | ||
| 1307 | V | 25.1 | Very low | 24.9 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 116.3 | 158.9 | -179.1 | 0 | 0 | 0 | 0 | 105.5 | L1305 | L1305-V1307 PolarHBondContact O-N 3.15Š| ||
| 1308 | N | 22.6 | Very low | 24.6 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | trans | -58.2 | 126.5 | 179 | -84.8 | -32.8 | 0 | 0 | 0 | 108.9 | S1306 S1310 | S1306-N1308 PolarHBondContact O-N 3.16Å; N1308-S1310 PolarHBondContact O-N 3.12Å | ||
| 1309 | P | 29.1 | Very low | 24.4 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 23.6 | -171.9 | 31.2 | -37.2 | 0 | 0 | 0 | 114.1 | ||
| 1310 | S | 25.7 | Very low | 24.4 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -10.3 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | N1308 | N1308-S1310 PolarHBondContact O-N 3.12Š|
| 1311 | E | 25.2 | Very low | 24.6 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -124.5 | 47.3 | -176.5 | -67.7 | -172.3 | 155.1 | 0 | 0 | 113.5 | ||
| 1312 | S | 25.9 | Very low | 24.9 | Very low | 67 Ų | 67 | 133 Ų | 133 | 47% | 0.469 | 75% | 0.751 | S | S | . | * | trans | -159.4 | 65.1 | 168.1 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | Y1314 | S1312-Y1314 VanDerWaalsContact C-N 3.25Å; S1312-Y1314 PolarHBondContact O-N 3.48Å | ||
| 1313 | Q | 24.5 | Very low | 25.2 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 10.1 | 175.2 | -115.7 | -179.4 | -0.2 | 0 | 0 | 114.9 | ||
| 1314 | Y | 25.5 | Very low | 25.5 | Very low | 231 Ų | 231 | 131.8 Ų | 131.8 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 33.4 | -177.7 | -74.7 | -73.8 | 0 | 0 | 0 | 114.4 | S1312 | S1312-Y1314 VanDerWaalsContact C-N 3.25Å; S1312-Y1314 PolarHBondContact O-N 3.48Å |
| 1315 | I | 26.4 | Very low | 26.2 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | -117.8 | 102.4 | 161.9 | -57.7 | 179.1 | 0 | 0 | 0 | 106.8 | D1317 | I1315-D1317 PolarHBondContact O-N 3Š| ||
| 1316 | S | 24.6 | Very low | 26.9 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | trans | -72.3 | 123.8 | -178.1 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | N1318 | S1316-N1318 PolarHBondContact O-N 3.37Š| ||
| 1317 | D | 24.1 | Very low | 28.1 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | trans | -57.5 | 98.7 | 170.3 | -70.4 | -51.8 | 0 | 0 | 0 | 111.3 | I1315 | I1315-D1317 PolarHBondContact O-N 3Š| ||
| 1318 | N | 24.4 | Very low | 29.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -158.5 | 62.7 | 167.7 | -105.9 | -21 | 0 | 0 | 0 | 111.4 | S1316 | S1316-N1318 PolarHBondContact O-N 3.37Š| ||
| 1319 | C | 23.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | trans | -123.8 | 47.2 | 164.2 | -82.3 | 0 | 0 | 0 | 0 | 110.6 | S1321 | C1319-S1321 PolarHBondContact O-N 3.49Š| ||
| 1320 | T | 25.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | -68.6 | 112 | 162.1 | 31.9 | 0 | 0 | 0 | 0 | 108.5 | N1322 | T1320-N1322 PolarHBondContact O-N 3.14Š| ||
| 1321 | S | 29.2 | Very low | 29.7 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | -54.1 | 126.3 | -180 | 43.4 | 0 | 0 | 0 | 0 | 111.7 | C1319 I1323 | C1319-S1321 PolarHBondContact O-N 3.49Å; S1321-I1323 PolarHBondContact O-N 3.37Å | ||
| 1322 | N | 28.7 | Very low | 29.9 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | trans | -65.9 | 96.7 | 178.7 | -77.6 | -25.4 | 0 | 0 | 0 | 110.7 | T1320 T1324 | T1320-N1322 PolarHBondContact O-N 3.14Å; N1322-T1324 PolarHBondContact O-N 3.5Å | ||
| 1323 | I | 28 | Very low | 30 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 58% | 0.579 | 72% | 0.715 | S | S | * | * | trans | -81.7 | 90.2 | 171.6 | -57.7 | 171.3 | 0 | 0 | 0 | 108.2 | S1321 | S1321-I1323 PolarHBondContact O-N 3.37Š| ||
| 1324 | T | 30.7 | Very low | 30.1 | Very low | 84 Ų | 84 | 134 Ų | 134 | 52% | 0.515 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 117.5 | 168.3 | 50.7 | 0 | 0 | 0 | 0 | 110 | N1322 N1326 | N1322-T1324 PolarHBondContact O-N 3.5Å; T1324-N1326 PolarHBondContact O-N 3.4Å |
| 1325 | I | 36 | Very low | 30.3 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | B | Isolated β-bridge | trans | -79.1 | 117.5 | 173.1 | -58 | 171 | 0 | 0 | 0 | 107.1 | ||
| 1326 | N | 37.5 | Very low | 30.7 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 55% | 0.551 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 160.7 | 175.4 | -153.4 | -1.6 | 0 | 0 | 0 | 110 | T1324 N1328 G1329 | T1324-N1326 PolarHBondContact O-N 3.4Å; N1326-N1328 PolarHBondContact O-N 3.19Å; N1326-G1329 PolarHBondContact O-N 3.42Å |
| 1327 | E | 48.2 | Very low | 31.5 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 91% | 0.911 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -23.2 | -165.4 | -67.4 | -166.3 | 144.5 | 0 | 0 | 115.5 | G1329 | E1327-G1329 VanDerWaalsContact C-N 3.32Å; E1327-G1329 PolarHBondContact O-N 3.41Å |
| 1328 | N | 45.3 | Very low | 32.8 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 8.5 | 175.6 | -66.8 | -15.2 | 0 | 0 | 0 | 114.6 | N1326 E1330 | N1326-N1328 PolarHBondContact O-N 3.19Å; N1328-E1330 VanDerWaalsContact C-N 3.29Å; N1328-E1330 PolarHBondContact O-N 2.83Å |
| 1329 | G | 31.7 | Very low | 34.5 | Very low | 52 Ų | 52 | 123.2 Ų | 123.2 | 54% | 0.536 | 66% | 0.659 | S | S | . | * | S | Bend | trans | 81.2 | -4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1326 E1327 | N1326-G1329 PolarHBondContact O-N 3.42Å; E1327-G1329 VanDerWaalsContact C-N 3.32Å; E1327-G1329 PolarHBondContact O-N 3.41Å |
| 1330 | E | 28.9 | Very low | 36.5 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | trans | -81.4 | 133.6 | 179.8 | -65.9 | -168.1 | 148 | 0 | 0 | 112.4 | N1328 V1332 | N1328-E1330 VanDerWaalsContact C-N 3.29Å; N1328-E1330 PolarHBondContact O-N 2.83Å; E1330-V1332 PolarHBondContact O-N 3.4Å | ||
| 1331 | K | 29.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 114 Ų | 114 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | B | Isolated β-bridge | trans | -81.4 | 93.3 | 177.5 | -66.8 | -179.8 | -179.4 | 179.2 | 0 | 110 | F1333 | K1331-F1333 PolarHBondContact O-N 2.94Å |
| 1332 | V | 28.5 | Very low | 41 | Very low | 68 Ų | 68 | 111.5 Ų | 111.5 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | trans | -79.6 | 113.6 | 175 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | E1330 Y1334 | E1330-V1332 PolarHBondContact O-N 3.4Å; V1332-Y1334 HydrophobicContact CG1-CE2 4.47Å; V1332-Y1334 PolarHBondContact O-N 3.28Å | ||
| 1333 | F | 27.9 | Very low | 43.4 | Very low | 176 Ų | 176 | 108.1 Ų | 108.1 | 77% | 0.772 | 56% | 0.56 | S | S | * | * | trans | -79.8 | 113 | 169.3 | -85.4 | -99.2 | 0 | 0 | 0 | 109.7 | K1331 | K1331-F1333 PolarHBondContact O-N 2.94Š| ||
| 1334 | Y | 27.2 | Very low | 46 | Very low | 177 Ų | 177 | 106 Ų | 106 | 69% | 0.694 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 124.7 | 160.9 | -65.9 | -77.6 | 0 | 0 | 0 | 108.6 | V1332 | V1332-Y1334 HydrophobicContact CG1-CE2 4.47Å; V1332-Y1334 PolarHBondContact O-N 3.28Å |
| 1335 | P | 30.4 | Very low | 48.7 | Very low | 103 Ų | 103 | 102 Ų | 102 | 67% | 0.669 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 142.6 | 173.6 | 27.9 | -33.2 | 0 | 0 | 0 | 109.3 | F1337 | P1335-F1337 PolarHBondContact O-N 2.98Š|
| 1336 | P | 34.8 | Very low | 51.1 | Low | 114 Ų | 114 | 96.6 Ų | 96.6 | 74% | 0.74 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 135.8 | 176.9 | 25.4 | -33.6 | 0 | 0 | 0 | 109.7 | V1338 | P1336-V1338 VanDerWaalsContact O-CG2 3.23Å; P1336-V1338 WeakPolarHBondContact O-CG2 3.42Å; P1336-V1338 PolarHBondContact O-N 3.15Å |
| 1337 | F | 41.4 | Very low | 53.5 | Low | 212 Ų | 212 | 92.2 Ų | 92.2 | 93% | 0.93 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -51.2 | 116.1 | -177.1 | -87.6 | -92.3 | 0 | 0 | 0 | 111 | P1335 | P1335-F1337 PolarHBondContact O-N 2.98Š|
| 1338 | V | 50.2 | Low | 55.3 | Low | 84 Ų | 84 | 84.1 Ų | 84.1 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 117 | -174 | -165 | 0 | 0 | 0 | 0 | 109.2 | F1289 P1336 L1340 | F1289-V1338 HydrophobicContact CD2-CG1 3.3Å; F1289-V1338 HydrophobicContact CE2-CB 4.26Å; F1289-V1338 HydrophobicContact CE2-CG1 3.47Å; F1289-V1338 VanDerWaalsContact CE2-CG1 3.47Å; F1289-V1338 HydrophobicContact CG-CG1 4.43Å; P1336-V1338 VanDerWaalsContact O-CG2 3.23Å; P1336-V1338 WeakPolarHBondContact O-CG2 3.42Å; P1336-V1338 PolarHBondContact O-N 3.15Å; V1338-L1340 WeakPolarHBondContact O-CD1 3.4Å; V1338-L1340 PolarHBondContact O-N 3.13Å |
| 1339 | Y | 60.9 | Low | 57.5 | Low | 41 Ų | 41 | 77.1 Ų | 77.1 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -66 | 122.9 | 179.2 | 169.2 | -111.8 | 0 | 0 | 0 | 111.5 | M1232 S1238 P1341 | M1232-Y1339 VanDerWaalsContact O-CD2 3.25Å; M1232-Y1339 WeakPolarHBondContact O-CD2 3.49Å; M1232-Y1339 WeakPolarHBondContact O-CE2 3.19Å; S1238-Y1339 WeakPolarHBondContact CB-OH 3.38Å; S1238-Y1339 PolarHBondContact OG-OH 3.26Å; Y1339-P1341 HydrophobicContact CE1-CB 3.94Å |
| 1340 | L | 66.2 | Low | 60.3 | Low | 59 Ų | 59 | 74.7 Ų | 74.7 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | trans | -98.3 | 114.6 | 169.4 | -89.8 | 69 | 0 | 0 | 0 | 109.5 | F1289 V1338 I1386 F1390 | F1289-L1340 HydrophobicContact CE1-CD1 3.96Å; F1289-L1340 HydrophobicContact CE1-CG 3.79Å; F1289-L1340 HydrophobicContact CE2-CD1 3.86Å; F1289-L1340 HydrophobicContact CZ-CD1 3.34Å; F1289-L1340 HydrophobicContact CZ-CD2 4.47Å; F1289-L1340 HydrophobicContact CZ-CG 3.69Å; V1338-L1340 WeakPolarHBondContact O-CD1 3.4Å; V1338-L1340 PolarHBondContact O-N 3.13Å; L1340-I1386 HydrophobicContact CB-CD1 4.43Å; L1340-I1386 HydrophobicContact CD2-CD1 4.46Å; L1340-I1386 HydrophobicContact CD2-CG1 4.16Å; L1340-I1386 HydrophobicContact CD2-CG2 3.75Å; L1340-I1386 HydrophobicContact CG-CD1 4.41Å; L1340-I1386 HydrophobicContact CG-CG1 4.3Å; L1340-F1390 HydrophobicContact CD2-CD2 4.22Å; L1340-F1390 HydrophobicContact CD2-CG 4.48Å | ||
| 1341 | P | 70.1 | Confident | 63.1 | Low | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.013 | 36% | 0.362 | C | S | . | . | trans | -67.4 | 138.3 | 174.5 | 27.1 | -33.5 | 0 | 0 | 0 | 111.7 | A1286 Y1339 F1345 I1346 I1382 I1386 | A1286-P1341 HydrophobicContact CB-CB 4.45Å; A1286-P1341 HydrophobicContact CB-CG 4.29Å; Y1339-P1341 HydrophobicContact CE1-CB 3.94Å; P1341-F1345 HydrophobicContact CB-CD1 3.73Å; P1341-F1345 HydrophobicContact CB-CE1 4.06Å; P1341-I1346 HydrophobicContact CB-CD1 4.19Å; P1341-I1346 HydrophobicContact CB-CG1 4.03Å; P1341-I1346 HydrophobicContact CG-CD1 4.19Å; P1341-I1346 HydrophobicContact CG-CG1 4.41Å; P1341-I1382 HydrophobicContact CG-CG2 4.33Å; P1341-I1386 WeakPolarHBondContact O-CD1 3.3Å | ||
| 1342 | S | 78 | Confident | 65.9 | Low | 40 Ų | 40 | 63.3 Ų | 63.3 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | trans | -76.4 | 155.3 | 178.7 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | S1344 F1345 I1346 | S1342-S1344 PolarHBondContact O-N 2.75Å; S1342-F1345 WeakPolarHBondContact O-CB 3.5Å; S1342-F1345 PolarHBondContact O-N 3.5Å; S1342-F1345 VanDerWaalsContact O-N 3.12Å; S1342-F1345 VanDerWaalsContact OG-CB 3.3Å; S1342-F1345 WeakPolarHBondContact OG-CB 3.49Å; S1342-F1345 PolarHBondContact OG-N 2.85Å; S1342-F1345 VanDerWaalsContact OG-N 3.16Å; S1342-I1346 WeakPolarHBondContact O-CD1 3.23Å; S1342-I1346 VanDerWaalsContact O-CG1 3.31Å; S1342-I1346 WeakPolarHBondContact O-CG1 3.33Å; S1342-I1346 PolarHBondContact O-N 3.3Å | ||
| 1343 | I | 80.7 | Confident | 68.9 | Low | 82 Ų | 82 | 60 Ų | 60 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 178 | -54.7 | 179.8 | 0 | 0 | 0 | 110.8 | I1346 T1347 P1383 L1419 | I1343-I1346 PolarHBondContact O-N 3.43Å; I1343-T1347 WeakPolarHBondContact O-CB 3.2Å; I1343-T1347 PolarHBondContact O-N 2.9Å; I1343-T1347 PolarHBondContact O-OG1 3.48Å; I1343-P1383 HydrophobicContact CD1-CB 3.97Å; I1343-P1383 HydrophobicContact CD1-CG 4.34Å; I1343-P1383 HydrophobicContact CG1-CB 4.15Å; I1343-P1383 HydrophobicContact CG1-CG 4.11Å; I1343-P1383 HydrophobicContact CG2-CG 4.44Å; I1343-L1419 HydrophobicContact CG2-CB 4.46Å |
| 1344 | S | 82.5 | Confident | 71.8 | Confident | 68 Ų | 68 | 53.8 Ų | 53.8 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 175.8 | -48.8 | 0 | 0 | 0 | 0 | 112.2 | S1342 I1346 T1347 S1348 | S1342-S1344 PolarHBondContact O-N 2.75Å; S1344-I1346 PolarHBondContact O-N 3.07Å; S1344-T1347 PolarHBondContact O-N 3.36Å; S1344-S1348 PolarHBondContact O-N 2.59Å; S1344-S1348 PolarHBondContact O-OG 3.42Å |
| 1345 | F | 86.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -48 | 175.5 | 171.2 | -87.5 | 0 | 0 | 0 | 111.4 | A1230 S1238 I1242 I1282 A1286 P1341 S1342 Y1349 | A1230-F1345 HydrophobicContact CB-CE2 4.48Å; S1238-F1345 WeakPolarHBondContact O-CD2 3.35Å; S1238-F1345 WeakPolarHBondContact O-CE2 3.31Å; I1242-F1345 HydrophobicContact CD1-CD2 4.41Å; I1242-F1345 HydrophobicContact CD1-CE2 3.78Å; I1242-F1345 HydrophobicContact CD1-CZ 4.1Å; I1242-F1345 HydrophobicContact CG1-CD2 3.53Å; I1242-F1345 HydrophobicContact CG1-CE2 3.37Å; I1242-F1345 HydrophobicContact CG1-CG 4.38Å; I1242-F1345 HydrophobicContact CG1-CZ 4.1Å; I1282-F1345 HydrophobicContact CG2-CZ 3.77Å; A1286-F1345 HydrophobicContact CB-CE1 4.13Å; P1341-F1345 HydrophobicContact CB-CD1 3.73Å; P1341-F1345 HydrophobicContact CB-CE1 4.06Å; S1342-F1345 WeakPolarHBondContact O-CB 3.5Å; S1342-F1345 PolarHBondContact O-N 3.5Å; S1342-F1345 VanDerWaalsContact O-N 3.12Å; S1342-F1345 VanDerWaalsContact OG-CB 3.3Å; S1342-F1345 WeakPolarHBondContact OG-CB 3.49Å; S1342-F1345 PolarHBondContact OG-N 2.85Å; S1342-F1345 VanDerWaalsContact OG-N 3.16Å; F1345-Y1349 WeakPolarHBondContact O-CB 3.18Å; F1345-Y1349 PolarHBondContact O-N 3.35Å |
| 1346 | I | 86.6 | Confident | 77.2 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | -177.9 | -54.8 | 156.5 | 0 | 0 | 0 | 110.9 | P1341 S1342 I1343 S1344 Y1349 F1350 I1382 L1419 | P1341-I1346 HydrophobicContact CB-CD1 4.19Å; P1341-I1346 HydrophobicContact CB-CG1 4.03Å; P1341-I1346 HydrophobicContact CG-CD1 4.19Å; P1341-I1346 HydrophobicContact CG-CG1 4.41Å; S1342-I1346 WeakPolarHBondContact O-CD1 3.23Å; S1342-I1346 VanDerWaalsContact O-CG1 3.31Å; S1342-I1346 WeakPolarHBondContact O-CG1 3.33Å; S1342-I1346 PolarHBondContact O-N 3.3Å; I1343-I1346 PolarHBondContact O-N 3.43Å; S1344-I1346 PolarHBondContact O-N 3.07Å; I1346-Y1349 WeakPolarHBondContact O-CB 3.15Å; I1346-Y1349 PolarHBondContact O-N 2.85Å; I1346-F1350 HydrophobicContact CG2-CD2 3.86Å; I1346-F1350 HydrophobicContact CG2-CE2 3.57Å; I1346-F1350 VanDerWaalsContact O-CD2 3.23Å; I1346-F1350 WeakPolarHBondContact O-CD2 3.25Å; I1346-F1350 PolarHBondContact O-N 3.45Å; I1346-F1350 VanDerWaalsContact O-N 3.13Å; I1346-I1382 HydrophobicContact CD1-CB 3.83Å; I1346-I1382 HydrophobicContact CD1-CD1 3.94Å; I1346-I1382 HydrophobicContact CD1-CG1 4.5Å; I1346-I1382 HydrophobicContact CD1-CG2 3.49Å; I1346-I1382 VanDerWaalsContact CD1-CG2 3.49Å; I1346-I1382 HydrophobicContact CG1-CD1 4.3Å; I1346-I1382 HydrophobicContact CG2-CD1 4.29Å; I1346-L1419 HydrophobicContact CB-CD1 4.26Å; I1346-L1419 HydrophobicContact CG2-CD1 3.64Å; I1346-L1419 HydrophobicContact CG2-CD2 4.32Å |
| 1347 | T | 88 | Confident | 79.5 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -56.3 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | I1343 S1344 Y1349 F1350 D1351 L1419 A1422 | I1343-T1347 WeakPolarHBondContact O-CB 3.2Å; I1343-T1347 PolarHBondContact O-N 2.9Å; I1343-T1347 PolarHBondContact O-OG1 3.48Å; S1344-T1347 PolarHBondContact O-N 3.36Å; T1347-Y1349 PolarHBondContact O-N 3.32Å; T1347-F1350 PolarHBondContact O-N 2.82Å; T1347-F1350 VanDerWaalsContact O-N 3.15Å; T1347-D1351 PolarHBondContact O-N 3.06Å; T1347-L1419 WeakPolarHBondContact OG1-CB 3.32Å; T1347-L1419 PolarHBondContact OG1-N 3.45Å; T1347-A1422 HydrophobicContact CG2-CB 4.24Å |
| 1348 | S | 86.9 | Confident | 81.5 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -36 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.7 | S1344 F1350 D1351 L1352 | S1344-S1348 PolarHBondContact O-N 2.59Å; S1344-S1348 PolarHBondContact O-OG 3.42Å; S1348-F1350 PolarHBondContact O-N 3.18Å; S1348-D1351 PolarHBondContact O-N 3.07Å; S1348-L1352 WeakPolarHBondContact O-CB 3.46Å; S1348-L1352 PolarHBondContact O-N 3.38Å |
| 1349 | Y | 90.8 | Very high | 82.9 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 176.2 | 175 | -95.3 | 0 | 0 | 0 | 112.6 | I1242 W1279 I1282 G1283 F1345 I1346 T1347 | I1242-Y1349 HydrophobicContact CD1-CD2 4.08Å; W1279-Y1349 AromaticContact CD1-CD2 3.94Å; W1279-Y1349 AromaticContact CD1-CE2 3.52Å; W1279-Y1349 AromaticContact CD2-CE2 3.82Å; W1279-Y1349 HydrophobicContact CD2-CE2 3.82Å; W1279-Y1349 AromaticContact CD2-CZ 3.66Å; W1279-Y1349 VanDerWaalsContact CD2-OH 3.3Å; W1279-Y1349 AromaticContact CE2-CE1 3.78Å; W1279-Y1349 AromaticContact CE2-CE2 3.48Å; W1279-Y1349 VanDerWaalsContact CE2-CE2 3.48Å; W1279-Y1349 AromaticContact CE2-CZ 3.26Å; W1279-Y1349 AromaticContact CG-CE2 3.85Å; W1279-Y1349 HydrophobicContact CG-CE2 3.85Å; W1279-Y1349 AromaticContact CH2-CE1 3.91Å; W1279-Y1349 HydrophobicContact CH2-CE1 3.91Å; W1279-Y1349 AromaticContact CH2-CZ 3.86Å; W1279-Y1349 WeakPolarHBondContact CH2-OH 3.29Å; W1279-Y1349 HydrophobicContact CZ2-CD1 4.06Å; W1279-Y1349 AromaticContact CZ2-CE1 3.42Å; W1279-Y1349 HydrophobicContact CZ2-CE1 3.42Å; W1279-Y1349 VanDerWaalsContact CZ2-CE1 3.42Å; W1279-Y1349 HydrophobicContact CZ2-CE2 4.04Å; W1279-Y1349 AromaticContact CZ2-CZ 3.38Å; W1279-Y1349 WeakPolarHBondContact CZ2-OH 3.46Å; W1279-Y1349 WeakPolarHBondContact CZ3-OH 3.38Å; W1279-Y1349 AromaticContact NE1-CD2 3.56Å; W1279-Y1349 AromaticContact NE1-CE2 3.29Å; W1279-Y1349 VanDerWaalsContact NE1-CE2 3.29Å; W1279-Y1349 AromaticContact NE1-CZ 3.61Å; W1279-Y1349 PolarHBondContact NE1-O 3.4Å; W1279-Y1349 VanDerWaalsContact O-CE2 3.24Å; W1279-Y1349 WeakPolarHBondContact O-CE2 3.43Å; W1279-Y1349 PolarHBondContact O-OH 3.23Å; I1282-Y1349 HydrophobicContact CB-CE2 4.26Å; I1282-Y1349 HydrophobicContact CG2-CD2 4.14Å; I1282-Y1349 HydrophobicContact CG2-CE2 4.07Å; G1283-Y1349 WeakPolarHBondContact CA-OH 3.47Å; G1283-Y1349 PolarHBondContact N-OH 2.95Å; F1345-Y1349 WeakPolarHBondContact O-CB 3.18Å; F1345-Y1349 PolarHBondContact O-N 3.35Å; I1346-Y1349 WeakPolarHBondContact O-CB 3.15Å; I1346-Y1349 PolarHBondContact O-N 2.85Å; T1347-Y1349 PolarHBondContact O-N 3.32Å |
| 1350 | F | 90.2 | Very high | 83.9 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.7 | -39.2 | 176.7 | -75.5 | -60.6 | 0 | 0 | 0 | 113.3 | I1346 T1347 S1348 L1352 F1353 L1375 L1376 L1419 A1422 V1423 C1426 | I1346-F1350 HydrophobicContact CG2-CD2 3.86Å; I1346-F1350 HydrophobicContact CG2-CE2 3.57Å; I1346-F1350 VanDerWaalsContact O-CD2 3.23Å; I1346-F1350 WeakPolarHBondContact O-CD2 3.25Å; I1346-F1350 PolarHBondContact O-N 3.45Å; I1346-F1350 VanDerWaalsContact O-N 3.13Å; T1347-F1350 PolarHBondContact O-N 2.82Å; T1347-F1350 VanDerWaalsContact O-N 3.15Å; S1348-F1350 PolarHBondContact O-N 3.18Å; F1350-L1352 PolarHBondContact O-N 3.08Å; F1350-F1353 VanDerWaalsContact O-CB 3.25Å; F1350-F1353 WeakPolarHBondContact O-CB 3.48Å; F1350-F1353 PolarHBondContact O-N 3.34Å; F1350-L1375 HydrophobicContact CE1-CB 4.15Å; F1350-L1375 HydrophobicContact CZ-CB 4.38Å; F1350-L1375 VanDerWaalsContact CZ-O 3.32Å; F1350-L1375 WeakPolarHBondContact CZ-O 3.3Å; F1350-L1376 HydrophobicContact CD1-CD2 3.69Å; F1350-L1376 HydrophobicContact CE1-CD2 3.72Å; F1350-L1376 HydrophobicContact CE1-CG 4.3Å; F1350-L1376 HydrophobicContact CG-CD2 4.5Å; F1350-L1419 HydrophobicContact CD2-CD1 3.73Å; F1350-L1419 HydrophobicContact CE2-CD1 4.23Å; F1350-A1422 HydrophobicContact CB-CB 4.25Å; F1350-V1423 HydrophobicContact CD2-CG2 4Å; F1350-V1423 HydrophobicContact CE2-CG2 4.38Å; F1350-V1423 HydrophobicContact CG-CG2 4.22Å; F1350-C1426 PolarHBondContact O-SG 3.44Å |
| 1351 | D | 88.1 | Confident | 84.4 | Confident | 50 Ų | 50 | 34 Ų | 34 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.8 | -31 | 175.1 | -85.9 | -37.3 | 0 | 0 | 0 | 111.9 | T1347 S1348 F1353 P1355 A1422 R1425 | T1347-D1351 PolarHBondContact O-N 3.06Å; S1348-D1351 PolarHBondContact O-N 3.07Å; D1351-F1353 VanDerWaalsContact C-N 3.28Å; D1351-F1353 PolarHBondContact O-N 3.49Å; D1351-P1355 VanDerWaalsContact O-CD 3.28Å; D1351-P1355 WeakPolarHBondContact O-CD 3.36Å; D1351-A1422 WeakPolarHBondContact OD1-CB 3.21Å; D1351-R1425 IonicContact OD1-CZ 3.49Å; D1351-R1425 IonicContact OD1-NH1 2.7Å; D1351-R1425 PolarHBondContact OD1-NH1 3.33Å; D1351-R1425 IonicContact OD2-NH1 2.69Å; D1351-R1425 PolarHBondContact OD2-NH1 3.38Å |
| 1352 | L | 89.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.5 | 175.8 | -161.9 | 165.9 | 0 | 0 | 0 | 113.2 | I1242 M1245 Q1246 L1249 Y1275 S1348 F1350 P1355 I1356 | I1242-L1352 HydrophobicContact CG2-CD1 3.83Å; I1242-L1352 WeakPolarHBondContact O-CD1 3.42Å; M1245-L1352 HydrophobicContact CB-CD1 3.84Å; Q1246-L1352 HydrophobicContact CB-CD1 3.97Å; Q1246-L1352 HydrophobicContact CB-CG 4.38Å; L1249-L1352 HydrophobicContact CD1-CD2 4.2Å; L1249-L1352 HydrophobicContact CD1-CG 4.09Å; Y1275-L1352 HydrophobicContact CE1-CD2 3.88Å; Y1275-L1352 VanDerWaalsContact OH-CD2 3.31Å; Y1275-L1352 WeakPolarHBondContact OH-CD2 3.48Å; S1348-L1352 WeakPolarHBondContact O-CB 3.46Å; S1348-L1352 PolarHBondContact O-N 3.38Å; F1350-L1352 PolarHBondContact O-N 3.08Å; L1352-P1355 WeakPolarHBondContact O-CD 3.24Å; L1352-P1355 WeakPolarHBondContact O-CG 3.35Å; L1352-I1356 HydrophobicContact CD2-CD1 3.31Å; L1352-I1356 HydrophobicContact CD2-CG1 3.68Å; L1352-I1356 WeakPolarHBondContact O-CD1 3.24Å; L1352-I1356 VanDerWaalsContact O-CG1 3.28Å; L1352-I1356 WeakPolarHBondContact O-CG1 3.25Å; L1352-I1356 PolarHBondContact O-N 3.1Å |
| 1353 | F | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 174 | 168.6 | -105.7 | 0 | 0 | 0 | 112.8 | W1276 W1279 F1350 D1351 I1356 F1357 F1364 L1372 C1426 L1430 | W1276-F1353 HydrophobicContact CH2-CD2 4.49Å; W1276-F1353 HydrophobicContact CH2-CE2 4.29Å; W1276-F1353 HydrophobicContact CZ3-CD2 4.13Å; W1276-F1353 HydrophobicContact CZ3-CE2 4.27Å; W1279-F1353 HydrophobicContact CH2-CB 4.13Å; W1279-F1353 HydrophobicContact CH2-CD2 4.08Å; W1279-F1353 HydrophobicContact CH2-CG 4.45Å; W1279-F1353 HydrophobicContact CZ2-CB 3.79Å; W1279-F1353 HydrophobicContact CZ2-CD2 4.5Å; W1279-F1353 HydrophobicContact CZ3-CD2 4.43Å; F1350-F1353 VanDerWaalsContact O-CB 3.25Å; F1350-F1353 WeakPolarHBondContact O-CB 3.48Å; F1350-F1353 PolarHBondContact O-N 3.34Å; D1351-F1353 VanDerWaalsContact C-N 3.28Å; D1351-F1353 PolarHBondContact O-N 3.49Å; F1353-I1356 PolarHBondContact O-N 3.37Å; F1353-F1357 HydrophobicContact CE1-CB 4.11Å; F1353-F1357 HydrophobicContact CE1-CD2 4.43Å; F1353-F1357 HydrophobicContact CE1-CG 4.26Å; F1353-F1357 HydrophobicContact CE2-CB 3.98Å; F1353-F1357 AromaticContact CE2-CD2 3.94Å; F1353-F1357 HydrophobicContact CE2-CD2 3.94Å; F1353-F1357 HydrophobicContact CE2-CG 4.29Å; F1353-F1357 HydrophobicContact CZ-CB 3.75Å; F1353-F1357 AromaticContact CZ-CD2 3.5Å; F1353-F1357 HydrophobicContact CZ-CD2 3.5Å; F1353-F1357 HydrophobicContact CZ-CE2 4.29Å; F1353-F1357 AromaticContact CZ-CG 3.73Å; F1353-F1357 HydrophobicContact CZ-CG 3.73Å; F1353-F1357 WeakPolarHBondContact O-CB 3.32Å; F1353-F1357 PolarHBondContact O-N 2.73Å; F1353-F1364 HydrophobicContact CE2-CE2 4.45Å; F1353-L1372 HydrophobicContact CD2-CD1 3.86Å; F1353-L1372 HydrophobicContact CD2-CD2 4.21Å; F1353-L1372 HydrophobicContact CE1-CD2 3.9Å; F1353-L1372 HydrophobicContact CE2-CD1 3.97Å; F1353-L1372 HydrophobicContact CE2-CD2 3.49Å; F1353-L1372 VanDerWaalsContact CE2-CD2 3.49Å; F1353-L1372 HydrophobicContact CE2-CG 4.36Å; F1353-L1372 HydrophobicContact CG-CD1 4.23Å; F1353-L1372 HydrophobicContact CZ-CD1 4.42Å; F1353-L1372 HydrophobicContact CZ-CD2 3.31Å; F1353-L1372 HydrophobicContact CZ-CG 4.5Å; F1353-C1426 HydrophobicContact CD1-CB 4.04Å; F1353-L1430 HydrophobicContact CE1-CD2 4.44Å; F1353-L1430 HydrophobicContact CE1-CG 4.49Å; F1353-L1430 HydrophobicContact CZ-CD2 4.23Å |
| 1354 | I | 88.6 | Confident | 84.3 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 23% | 0.226 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | -172.9 | -61.8 | 169.3 | 0 | 0 | 0 | 112 | F1357 N1358 R1425 C1429 | I1354-F1357 PolarHBondContact O-N 2.89Å; I1354-N1358 PolarHBondContact O-N 3.41Å; I1354-R1425 HydrophobicContact CD1-CB 3.62Å; I1354-C1429 HydrophobicContact CG1-CB 4.43Å |
| 1355 | P | 85 | Confident | 84.1 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.2 | -32.4 | 175.5 | 27.1 | -35.5 | 0 | 0 | 0 | 113.5 | L1249 D1351 L1352 F1357 N1358 Y1359 | L1249-P1355 HydrophobicContact CD1-CB 3.85Å; L1249-P1355 HydrophobicContact CD1-CG 3.45Å; L1249-P1355 VanDerWaalsContact CD1-CG 3.45Å; D1351-P1355 VanDerWaalsContact O-CD 3.28Å; D1351-P1355 WeakPolarHBondContact O-CD 3.36Å; L1352-P1355 WeakPolarHBondContact O-CD 3.24Å; L1352-P1355 WeakPolarHBondContact O-CG 3.35Å; P1355-F1357 VanDerWaalsContact C-N 3.34Å; P1355-F1357 PolarHBondContact O-N 3.49Å; P1355-N1358 PolarHBondContact O-N 2.94Å; P1355-Y1359 VanDerWaalsContact O-CD2 3.3Å; P1355-Y1359 WeakPolarHBondContact O-CD2 3.3Å |
| 1356 | I | 85.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 171.3 | -62.1 | 160.9 | 0 | 0 | 0 | 110.5 | L1249 Y1275 W1276 W1279 L1352 F1353 N1358 Y1359 I1360 | L1249-I1356 HydrophobicContact CD2-CG1 4.17Å; Y1275-I1356 HydrophobicContact CD1-CD1 4.27Å; Y1275-I1356 HydrophobicContact CD1-CG1 3.99Å; Y1275-I1356 HydrophobicContact CE1-CD1 3.79Å; Y1275-I1356 HydrophobicContact CE1-CG1 3.54Å; W1276-I1356 HydrophobicContact CE3-CG2 3.84Å; W1279-I1356 HydrophobicContact CB-CD1 3.9Å; W1279-I1356 HydrophobicContact CD2-CD1 3.81Å; W1279-I1356 HydrophobicContact CG-CD1 3.46Å; W1279-I1356 VanDerWaalsContact CG-CD1 3.46Å; L1352-I1356 HydrophobicContact CD2-CD1 3.31Å; L1352-I1356 HydrophobicContact CD2-CG1 3.68Å; L1352-I1356 WeakPolarHBondContact O-CD1 3.24Å; L1352-I1356 VanDerWaalsContact O-CG1 3.28Å; L1352-I1356 WeakPolarHBondContact O-CG1 3.25Å; L1352-I1356 PolarHBondContact O-N 3.1Å; F1353-I1356 PolarHBondContact O-N 3.37Å; I1356-N1358 PolarHBondContact O-N 3.47Å; I1356-N1358 VanDerWaalsContact O-N 3.16Å; I1356-Y1359 WeakPolarHBondContact O-CA 3.19Å; I1356-Y1359 PolarHBondContact O-N 3.45Å; I1356-I1360 HydrophobicContact CG2-CD1 3.92Å; I1356-I1360 HydrophobicContact CG2-CG1 4.16Å; I1356-I1360 HydrophobicContact CG2-CG2 4.17Å; I1356-I1360 PolarHBondContact O-N 3.07Å; I1356-I1360 VanDerWaalsContact O-N 3.15Å |
| 1357 | F | 84.4 | Confident | 83.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.7 | -37 | -173.8 | -175.8 | -107.1 | 0 | 0 | 0 | 111.5 | F1353 I1354 P1355 Y1359 I1360 K1361 F1364 L1430 N1433 F1434 | F1353-F1357 HydrophobicContact CE1-CB 4.11Å; F1353-F1357 HydrophobicContact CE1-CD2 4.43Å; F1353-F1357 HydrophobicContact CE1-CG 4.26Å; F1353-F1357 HydrophobicContact CE2-CB 3.98Å; F1353-F1357 AromaticContact CE2-CD2 3.94Å; F1353-F1357 HydrophobicContact CE2-CD2 3.94Å; F1353-F1357 HydrophobicContact CE2-CG 4.29Å; F1353-F1357 HydrophobicContact CZ-CB 3.75Å; F1353-F1357 AromaticContact CZ-CD2 3.5Å; F1353-F1357 HydrophobicContact CZ-CD2 3.5Å; F1353-F1357 HydrophobicContact CZ-CE2 4.29Å; F1353-F1357 AromaticContact CZ-CG 3.73Å; F1353-F1357 HydrophobicContact CZ-CG 3.73Å; F1353-F1357 WeakPolarHBondContact O-CB 3.32Å; F1353-F1357 PolarHBondContact O-N 2.73Å; I1354-F1357 PolarHBondContact O-N 2.89Å; P1355-F1357 VanDerWaalsContact C-N 3.34Å; P1355-F1357 PolarHBondContact O-N 3.49Å; F1357-Y1359 VanDerWaalsContact C-N 3.28Å; F1357-Y1359 PolarHBondContact O-N 3.43Å; F1357-I1360 PolarHBondContact O-N 3Å; F1357-K1361 HydrophobicContact CE1-CD 4.31Å; F1357-K1361 HydrophobicContact CE1-CG 4.21Å; F1357-K1361 HydrophobicContact CZ-CG 4.22Å; F1357-K1361 WeakPolarHBondContact O-CA 3.42Å; F1357-K1361 WeakPolarHBondContact O-CB 3.5Å; F1357-K1361 PolarHBondContact O-N 2.85Å; F1357-F1364 HydrophobicContact CD2-CD2 4.1Å; F1357-F1364 HydrophobicContact CD2-CE2 4.24Å; F1357-F1364 HydrophobicContact CD2-CG 4.34Å; F1357-F1364 HydrophobicContact CE2-CB 4.24Å; F1357-F1364 AromaticContact CE2-CD1 3.8Å; F1357-F1364 HydrophobicContact CE2-CD1 3.8Å; F1357-F1364 AromaticContact CE2-CD2 3.93Å; F1357-F1364 HydrophobicContact CE2-CD2 3.93Å; F1357-F1364 HydrophobicContact CE2-CE1 4.04Å; F1357-F1364 HydrophobicContact CE2-CE2 4.18Å; F1357-F1364 AromaticContact CE2-CG 3.73Å; F1357-F1364 HydrophobicContact CE2-CG 3.73Å; F1357-F1364 HydrophobicContact CE2-CZ 4.22Å; F1357-L1430 HydrophobicContact CE2-CD2 4.49Å; F1357-N1433 HydrophobicContact CE1-CB 4.1Å; F1357-F1434 HydrophobicContact CZ-CE2 4.21Å; F1357-F1434 HydrophobicContact CZ-CZ 4.16Å |
| 1358 | N | 82.8 | Confident | 83 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.5 | -34.7 | 174.9 | -65.7 | -27 | 0 | 0 | 0 | 113.5 | I1354 P1355 I1356 | I1354-N1358 PolarHBondContact O-N 3.41Å; P1355-N1358 PolarHBondContact O-N 2.94Å; I1356-N1358 PolarHBondContact O-N 3.47Å; I1356-N1358 VanDerWaalsContact O-N 3.16Å |
| 1359 | Y | 80.2 | Confident | 82.9 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 42% | 0.42 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82.3 | -26.3 | 177.4 | -64.9 | -63.9 | 0 | 0 | 0 | 113.8 | L1249 W1272 P1355 I1356 F1357 | L1249-Y1359 HydrophobicContact CD2-CE2 4.39Å; L1249-Y1359 PolarHBondContact O-OH 3.14Å; W1272-Y1359 HydrophobicContact CD2-CD1 4.37Å; W1272-Y1359 HydrophobicContact CD2-CD2 4.15Å; W1272-Y1359 AromaticContact CD2-CG 3.96Å; W1272-Y1359 HydrophobicContact CD2-CG 3.96Å; W1272-Y1359 AromaticContact CE2-CD1 3.83Å; W1272-Y1359 AromaticContact CE2-CG 3.86Å; W1272-Y1359 HydrophobicContact CE3-CD2 4.1Å; W1272-Y1359 HydrophobicContact CE3-CG 4.36Å; W1272-Y1359 HydrophobicContact CG-CG 4.33Å; W1272-Y1359 HydrophobicContact CH2-CD2 4.06Å; W1272-Y1359 AromaticContact CH2-CE2 3.7Å; W1272-Y1359 HydrophobicContact CH2-CE2 3.7Å; W1272-Y1359 AromaticContact CH2-CZ 3.97Å; W1272-Y1359 HydrophobicContact CZ2-CD1 4.09Å; W1272-Y1359 HydrophobicContact CZ2-CD2 4.08Å; W1272-Y1359 AromaticContact CZ2-CE1 3.84Å; W1272-Y1359 HydrophobicContact CZ2-CE1 3.84Å; W1272-Y1359 AromaticContact CZ2-CE2 3.8Å; W1272-Y1359 HydrophobicContact CZ2-CE2 3.8Å; W1272-Y1359 HydrophobicContact CZ2-CG 4.21Å; W1272-Y1359 AromaticContact CZ2-CZ 3.67Å; W1272-Y1359 HydrophobicContact CZ3-CD2 4.07Å; W1272-Y1359 HydrophobicContact CZ3-CE2 4.1Å; W1272-Y1359 AromaticContact NE1-CD1 3.81Å; P1355-Y1359 VanDerWaalsContact O-CD2 3.3Å; P1355-Y1359 WeakPolarHBondContact O-CD2 3.3Å; I1356-Y1359 WeakPolarHBondContact O-CA 3.19Å; I1356-Y1359 PolarHBondContact O-N 3.45Å; F1357-Y1359 VanDerWaalsContact C-N 3.28Å; F1357-Y1359 PolarHBondContact O-N 3.43Å |
| 1360 | I | 82.2 | Confident | 82.5 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -105.2 | -2.5 | -177.7 | 67 | 171.6 | 0 | 0 | 0 | 114.8 | W1276 I1356 F1357 E1362 D1363 F1364 | W1276-I1360 HydrophobicContact CB-CD1 4.49Å; W1276-I1360 HydrophobicContact CB-CG2 4.24Å; W1276-I1360 HydrophobicContact CD2-CD1 3.4Å; W1276-I1360 VanDerWaalsContact CD2-CD1 3.4Å; W1276-I1360 HydrophobicContact CE3-CD1 3.49Å; W1276-I1360 VanDerWaalsContact CE3-CD1 3.49Å; W1276-I1360 HydrophobicContact CG-CD1 3.87Å; W1276-I1360 HydrophobicContact CH2-CD1 4.15Å; W1276-I1360 HydrophobicContact CZ2-CD1 4.1Å; W1276-I1360 HydrophobicContact CZ3-CD1 3.85Å; I1356-I1360 HydrophobicContact CG2-CD1 3.92Å; I1356-I1360 HydrophobicContact CG2-CG1 4.16Å; I1356-I1360 HydrophobicContact CG2-CG2 4.17Å; I1356-I1360 PolarHBondContact O-N 3.07Å; I1356-I1360 VanDerWaalsContact O-N 3.15Å; F1357-I1360 PolarHBondContact O-N 3Å; I1360-E1362 PolarHBondContact O-N 3.38Å; I1360-D1363 CarbonylContact O-C 3.46Å; I1360-D1363 PolarHBondContact O-N 2.88Å; I1360-F1364 HydrophobicContact CD1-CD2 3.97Å; I1360-F1364 HydrophobicContact CG1-CD2 4.45Å; I1360-F1364 PolarHBondContact O-N 3.22Å |
| 1361 | K | 76.7 | Confident | 82.3 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -37.4 | -172 | -176.1 | 175.7 | 173.4 | -179.3 | 0 | 114.2 | F1357 N1433 | F1357-K1361 HydrophobicContact CE1-CD 4.31Å; F1357-K1361 HydrophobicContact CE1-CG 4.21Å; F1357-K1361 HydrophobicContact CZ-CG 4.22Å; F1357-K1361 WeakPolarHBondContact O-CA 3.42Å; F1357-K1361 WeakPolarHBondContact O-CB 3.5Å; F1357-K1361 PolarHBondContact O-N 2.85Å; K1361-N1433 WeakPolarHBondContact CE-OD1 3.43Å; K1361-N1433 PolarHBondContact NZ-OD1 3.07Å |
| 1362 | E | 71.6 | Confident | 82.3 | Confident | 150 Ų | 150 | 56.5 Ų | 56.5 | 70% | 0.701 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -29.3 | -179.2 | -62 | -168 | 160.8 | 0 | 0 | 114 | I1360 R1456 | I1360-E1362 PolarHBondContact O-N 3.38Å; E1362-R1456 PolarHBondContact O-NH1 3.03Å |
| 1363 | D | 73.3 | Confident | 82.1 | Confident | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 7 | -177 | -67.2 | -32.8 | 0 | 0 | 0 | 112.1 | K1269 I1360 H1365 | K1269-D1363 IonicContact NZ-OD1 2.61Å; K1269-D1363 PolarHBondContact NZ-OD1 3Å; K1269-D1363 IonicContact NZ-OD2 2.81Å; K1269-D1363 PolarHBondContact NZ-OD2 3.19Å; I1360-D1363 CarbonylContact O-C 3.46Å; I1360-D1363 PolarHBondContact O-N 2.88Å; D1363-H1365 PolarHBondContact O-CD2 3.39Å; D1363-H1365 VanDerWaalsContact O-CD2 3.23Å; D1363-H1365 PolarHBondContact O-N 2.81Å |
| 1364 | F | 80.6 | Confident | 81.8 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | trans | -75.6 | 117.1 | -179.8 | -169.1 | -98.3 | 0 | 0 | 0 | 111.8 | W1276 F1353 F1357 I1360 D1368 F1369 L1372 F1434 | W1276-F1364 HydrophobicContact CH2-CE2 4.14Å; W1276-F1364 HydrophobicContact CZ2-CE2 4.09Å; F1353-F1364 HydrophobicContact CE2-CE2 4.45Å; F1357-F1364 HydrophobicContact CD2-CD2 4.1Å; F1357-F1364 HydrophobicContact CD2-CE2 4.24Å; F1357-F1364 HydrophobicContact CD2-CG 4.34Å; F1357-F1364 HydrophobicContact CE2-CB 4.24Å; F1357-F1364 AromaticContact CE2-CD1 3.8Å; F1357-F1364 HydrophobicContact CE2-CD1 3.8Å; F1357-F1364 AromaticContact CE2-CD2 3.93Å; F1357-F1364 HydrophobicContact CE2-CD2 3.93Å; F1357-F1364 HydrophobicContact CE2-CE1 4.04Å; F1357-F1364 HydrophobicContact CE2-CE2 4.18Å; F1357-F1364 AromaticContact CE2-CG 3.73Å; F1357-F1364 HydrophobicContact CE2-CG 3.73Å; F1357-F1364 HydrophobicContact CE2-CZ 4.22Å; I1360-F1364 HydrophobicContact CD1-CD2 3.97Å; I1360-F1364 HydrophobicContact CG1-CD2 4.45Å; I1360-F1364 PolarHBondContact O-N 3.22Å; F1364-D1368 HydrophobicContact CD2-CB 3.81Å; F1364-D1368 HydrophobicContact CE2-CB 3.68Å; F1364-D1368 HydrophobicContact CG-CB 4.39Å; F1364-D1368 HydrophobicContact CZ-CB 4.15Å; F1364-F1369 HydrophobicContact CE1-CB 3.91Å; F1364-F1369 HydrophobicContact CZ-CB 4.22Å; F1364-L1372 HydrophobicContact CZ-CD2 4.09Å; F1364-F1434 HydrophobicContact CD1-CZ 4.31Å | ||
| 1365 | H | 79 | Confident | 81.7 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | trans | -108.7 | 167.8 | -176.1 | -66.6 | -58.2 | 0 | 0 | 0 | 113.4 | D1363 K1367 D1368 F1369 | D1363-H1365 PolarHBondContact O-CD2 3.39Å; D1363-H1365 VanDerWaalsContact O-CD2 3.23Å; D1363-H1365 PolarHBondContact O-N 2.81Å; H1365-K1367 PolarHBondContact O-N 3.4Å; H1365-K1367 VanDerWaalsContact O-N 3.14Å; H1365-D1368 PolarHBondContact N-OD2 3.15Å; H1365-D1368 WeakPolarHBondContact O-CA 3.41Å; H1365-D1368 WeakPolarHBondContact O-CB 3.36Å; H1365-D1368 PolarHBondContact O-N 3.37Å; H1365-F1369 PolarHBondContact O-N 2.88Å | ||
| 1366 | L | 75.9 | Confident | 81.9 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 40% | 0.398 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.2 | -34.8 | 176.4 | -174 | 66.6 | 0 | 0 | 0 | 112.6 | D1368 F1369 D1370 I1460 | L1366-D1368 VanDerWaalsContact C-N 3.28Å; L1366-D1368 PolarHBondContact O-N 3.04Å; L1366-F1369 WeakPolarHBondContact O-CB 3.44Å; L1366-F1369 PolarHBondContact O-N 3.34Å; L1366-D1370 PolarHBondContact O-N 2.84Å; L1366-I1460 HydrophobicContact CD1-CG1 4.17Å |
| 1367 | K | 77.8 | Confident | 81.8 | Confident | 159 Ų | 159 | 60.5 Ų | 60.5 | 69% | 0.691 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64 | -30.9 | 174.9 | -67.8 | -179.1 | 178.7 | 177 | 0 | 113.3 | H1365 R1371 | H1365-K1367 PolarHBondContact O-N 3.4Å; H1365-K1367 VanDerWaalsContact O-N 3.14Å; K1367-R1371 VanDerWaalsContact O-CD 3.26Å; K1367-R1371 WeakPolarHBondContact O-CD 3.45Å; K1367-R1371 WeakPolarHBondContact O-CG 3.48Å; K1367-R1371 PolarHBondContact O-N 3.07Å |
| 1368 | D | 83.1 | Confident | 81.6 | Confident | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -79.5 | -37.1 | 176.6 | -59.5 | -67 | 0 | 0 | 0 | 110.5 | W1276 F1364 H1365 L1366 R1371 L1372 | W1276-D1368 HydrophobicContact CZ2-CB 4Å; W1276-D1368 PolarHBondContact NE1-OD1 2.8Å; F1364-D1368 HydrophobicContact CD2-CB 3.81Å; F1364-D1368 HydrophobicContact CE2-CB 3.68Å; F1364-D1368 HydrophobicContact CG-CB 4.39Å; F1364-D1368 HydrophobicContact CZ-CB 4.15Å; H1365-D1368 PolarHBondContact N-OD2 3.15Å; H1365-D1368 WeakPolarHBondContact O-CA 3.41Å; H1365-D1368 WeakPolarHBondContact O-CB 3.36Å; H1365-D1368 PolarHBondContact O-N 3.37Å; L1366-D1368 VanDerWaalsContact C-N 3.28Å; L1366-D1368 PolarHBondContact O-N 3.04Å; D1368-R1371 PolarHBondContact O-N 3.45Å; D1368-L1372 VanDerWaalsContact O-CB 3.32Å; D1368-L1372 WeakPolarHBondContact O-CB 3.44Å; D1368-L1372 PolarHBondContact O-N 3.3Å |
| 1369 | F | 85.2 | Confident | 81.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60 | -47.9 | 168.4 | 179.5 | -92.9 | 0 | 0 | 0 | 112.4 | F1364 H1365 L1366 R1371 L1372 A1373 L1430 I1460 R1463 V1464 | F1364-F1369 HydrophobicContact CE1-CB 3.91Å; F1364-F1369 HydrophobicContact CZ-CB 4.22Å; H1365-F1369 PolarHBondContact O-N 2.88Å; L1366-F1369 WeakPolarHBondContact O-CB 3.44Å; L1366-F1369 PolarHBondContact O-N 3.34Å; F1369-R1371 VanDerWaalsContact C-N 3.32Å; F1369-R1371 PolarHBondContact O-N 2.72Å; F1369-L1372 CarbonylContact O-C 3.55Å; F1369-L1372 PolarHBondContact O-N 3.06Å; F1369-L1372 VanDerWaalsContact O-N 3.15Å; F1369-A1373 HydrophobicContact CD1-CB 4.47Å; F1369-A1373 HydrophobicContact CE1-CB 4Å; F1369-A1373 HydrophobicContact CZ-CB 4.22Å; F1369-A1373 WeakPolarHBondContact O-CB 3.46Å; F1369-A1373 PolarHBondContact O-N 2.9Å; F1369-L1430 HydrophobicContact CE2-CD1 4.25Å; F1369-I1460 HydrophobicContact CD2-CG2 3.76Å; F1369-I1460 HydrophobicContact CE2-CG2 4.01Å; F1369-I1460 HydrophobicContact CG-CG2 4.08Å; F1369-R1463 HydrophobicContact CD1-CB 4.49Å; F1369-R1463 HydrophobicContact CE1-CB 3.68Å; F1369-R1463 HydrophobicContact CE1-CG 3.79Å; F1369-R1463 HydrophobicContact CZ-CB 4.22Å; F1369-V1464 HydrophobicContact CE2-CG2 3.61Å; F1369-V1464 HydrophobicContact CZ-CG2 3.84Å |
| 1370 | D | 83.4 | Confident | 81.8 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.4 | -41.5 | -179.3 | -71.6 | -36.8 | 0 | 0 | 0 | 111.5 | L1366 A1373 E1374 | L1366-D1370 PolarHBondContact O-N 2.84Å; D1370-A1373 PolarHBondContact O-N 3.43Å; D1370-E1374 PolarHBondContact O-N 2.95Å |
| 1371 | R | 85.7 | Confident | 81.9 | Confident | 88 Ų | 88 | 51.1 Ų | 51.1 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.7 | -48 | 172.4 | -70.7 | 164.1 | -179.7 | -165.3 | -0.4 | 111.1 | E1277 L1280 K1367 D1368 F1369 A1373 E1374 L1375 | E1277-R1371 IonicContact OE2-NH1 2.63Å; L1280-R1371 HydrophobicContact CD2-CB 4.29Å; K1367-R1371 VanDerWaalsContact O-CD 3.26Å; K1367-R1371 WeakPolarHBondContact O-CD 3.45Å; K1367-R1371 WeakPolarHBondContact O-CG 3.48Å; K1367-R1371 PolarHBondContact O-N 3.07Å; D1368-R1371 PolarHBondContact O-N 3.45Å; F1369-R1371 VanDerWaalsContact C-N 3.32Å; F1369-R1371 PolarHBondContact O-N 2.72Å; R1371-A1373 PolarHBondContact O-N 3.1Å; R1371-E1374 PolarHBondContact O-N 2.92Å; R1371-L1375 VanDerWaalsContact O-CG 3.3Å; R1371-L1375 WeakPolarHBondContact O-CG 3.46Å; R1371-L1375 PolarHBondContact O-N 3.38Å |
| 1372 | L | 87.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 178.3 | 179.4 | 67 | 0 | 0 | 0 | 112.1 | W1279 F1353 F1364 D1368 F1369 L1375 L1376 L1430 | W1279-L1372 HydrophobicContact CH2-CD1 3.78Å; W1279-L1372 HydrophobicContact CZ3-CD1 4.26Å; F1353-L1372 HydrophobicContact CD2-CD1 3.86Å; F1353-L1372 HydrophobicContact CD2-CD2 4.21Å; F1353-L1372 HydrophobicContact CE1-CD2 3.9Å; F1353-L1372 HydrophobicContact CE2-CD1 3.97Å; F1353-L1372 HydrophobicContact CE2-CD2 3.49Å; F1353-L1372 VanDerWaalsContact CE2-CD2 3.49Å; F1353-L1372 HydrophobicContact CE2-CG 4.36Å; F1353-L1372 HydrophobicContact CG-CD1 4.23Å; F1353-L1372 HydrophobicContact CZ-CD1 4.42Å; F1353-L1372 HydrophobicContact CZ-CD2 3.31Å; F1353-L1372 HydrophobicContact CZ-CG 4.5Å; F1364-L1372 HydrophobicContact CZ-CD2 4.09Å; D1368-L1372 VanDerWaalsContact O-CB 3.32Å; D1368-L1372 WeakPolarHBondContact O-CB 3.44Å; D1368-L1372 PolarHBondContact O-N 3.3Å; F1369-L1372 CarbonylContact O-C 3.55Å; F1369-L1372 PolarHBondContact O-N 3.06Å; F1369-L1372 VanDerWaalsContact O-N 3.15Å; L1372-L1375 CarbonylContact O-C 3.42Å; L1372-L1375 WeakPolarHBondContact O-CB 3.38Å; L1372-L1375 PolarHBondContact O-N 3.23Å; L1372-L1376 HydrophobicContact CD1-CD1 4.29Å; L1372-L1376 HydrophobicContact CD1-CG 4.26Å; L1372-L1376 HydrophobicContact CD2-CD1 4.44Å; L1372-L1376 HydrophobicContact CG-CD1 3.91Å; L1372-L1376 HydrophobicContact CG-CG 4.3Å; L1372-L1376 VanDerWaalsContact O-CG 3.3Å; L1372-L1376 WeakPolarHBondContact O-CG 3.31Å; L1372-L1376 PolarHBondContact O-N 2.94Å; L1372-L1430 HydrophobicContact CD2-CD1 3.98Å; L1372-L1430 HydrophobicContact CD2-CD2 4.22Å |
| 1373 | A | 85.5 | Confident | 82.4 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1369 D1370 R1371 L1376 Q1377 L1467 | F1369-A1373 HydrophobicContact CD1-CB 4.47Å; F1369-A1373 HydrophobicContact CE1-CB 4Å; F1369-A1373 HydrophobicContact CZ-CB 4.22Å; F1369-A1373 WeakPolarHBondContact O-CB 3.46Å; F1369-A1373 PolarHBondContact O-N 2.9Å; D1370-A1373 PolarHBondContact O-N 3.43Å; R1371-A1373 PolarHBondContact O-N 3.1Å; A1373-L1376 PolarHBondContact O-N 3.32Å; A1373-Q1377 WeakPolarHBondContact O-CB 3.41Å; A1373-Q1377 VanDerWaalsContact O-CG 3.32Å; A1373-Q1377 WeakPolarHBondContact O-CG 3.37Å; A1373-Q1377 PolarHBondContact O-N 2.98Å; A1373-L1467 HydrophobicContact CB-CD2 4.28Å |
| 1374 | E | 84 | Confident | 82.5 | Confident | 90 Ų | 90 | 37.7 Ų | 37.7 | 42% | 0.421 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 169.5 | -175.9 | 179.6 | -171.2 | 0 | 0 | 111 | Q1291 D1370 R1371 L1376 I1378 | Q1291-E1374 PolarHBondContact NE2-OE1 2.75Å; D1370-E1374 PolarHBondContact O-N 2.95Å; R1371-E1374 PolarHBondContact O-N 2.92Å; E1374-L1376 PolarHBondContact O-N 3.44Å; E1374-I1378 HydrophobicContact CG-CD1 3.95Å; E1374-I1378 PolarHBondContact O-N 2.78Å; E1374-I1378 VanDerWaalsContact O-N 3.15Å |
| 1375 | L | 86.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 176.9 | -65.2 | 174.5 | 0 | 0 | 0 | 111.5 | W1279 L1280 I1287 F1350 R1371 L1372 G1379 | W1279-L1375 HydrophobicContact CH2-CD1 4.07Å; W1279-L1375 HydrophobicContact CZ3-CD1 3.88Å; L1280-L1375 HydrophobicContact CD2-CD1 4.07Å; I1287-L1375 HydrophobicContact CD1-CB 4.22Å; I1287-L1375 HydrophobicContact CD1-CD2 3.64Å; I1287-L1375 WeakPolarHBondContact CD1-O 3.3Å; F1350-L1375 HydrophobicContact CE1-CB 4.15Å; F1350-L1375 HydrophobicContact CZ-CB 4.38Å; F1350-L1375 VanDerWaalsContact CZ-O 3.32Å; F1350-L1375 WeakPolarHBondContact CZ-O 3.3Å; R1371-L1375 VanDerWaalsContact O-CG 3.3Å; R1371-L1375 WeakPolarHBondContact O-CG 3.46Å; R1371-L1375 PolarHBondContact O-N 3.38Å; L1372-L1375 CarbonylContact O-C 3.42Å; L1372-L1375 WeakPolarHBondContact O-CB 3.38Å; L1372-L1375 PolarHBondContact O-N 3.23Å; L1375-G1379 WeakPolarHBondContact O-CA 3.42Å; L1375-G1379 PolarHBondContact O-N 3.03Å |
| 1376 | L | 87.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.1 | -43.1 | -178.8 | -68.8 | 168.5 | 0 | 0 | 0 | 112.6 | F1350 L1372 A1373 E1374 V1380 V1423 C1426 L1427 L1430 L1467 | F1350-L1376 HydrophobicContact CD1-CD2 3.69Å; F1350-L1376 HydrophobicContact CE1-CD2 3.72Å; F1350-L1376 HydrophobicContact CE1-CG 4.3Å; F1350-L1376 HydrophobicContact CG-CD2 4.5Å; L1372-L1376 HydrophobicContact CD1-CD1 4.29Å; L1372-L1376 HydrophobicContact CD1-CG 4.26Å; L1372-L1376 HydrophobicContact CD2-CD1 4.44Å; L1372-L1376 HydrophobicContact CG-CD1 3.91Å; L1372-L1376 HydrophobicContact CG-CG 4.3Å; L1372-L1376 VanDerWaalsContact O-CG 3.3Å; L1372-L1376 WeakPolarHBondContact O-CG 3.31Å; L1372-L1376 PolarHBondContact O-N 2.94Å; A1373-L1376 PolarHBondContact O-N 3.32Å; E1374-L1376 PolarHBondContact O-N 3.44Å; L1376-V1380 PolarHBondContact O-N 2.9Å; L1376-V1423 HydrophobicContact CD2-CG1 4.11Å; L1376-V1423 HydrophobicContact CD2-CG2 4.25Å; L1376-C1426 HydrophobicContact CD2-CB 4.05Å; L1376-L1427 HydrophobicContact CD1-CD2 4.34Å; L1376-L1430 HydrophobicContact CD1-CD1 4.34Å; L1376-L1467 HydrophobicContact CD1-CD2 4.21Å |
| 1377 | Q | 84 | Confident | 81.4 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.6 | -47 | 180 | -75.1 | -177 | 12.2 | 0 | 0 | 112.4 | A1373 L1467 | A1373-Q1377 WeakPolarHBondContact O-CB 3.41Å; A1373-Q1377 VanDerWaalsContact O-CG 3.32Å; A1373-Q1377 WeakPolarHBondContact O-CG 3.37Å; A1373-Q1377 PolarHBondContact O-N 2.98Å; Q1377-L1467 HydrophobicContact CG-CD1 3.3Å |
| 1378 | I | 81 | Confident | 80.8 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -81.7 | -37.7 | -178.2 | -57.3 | 171.9 | 0 | 0 | 0 | 110.1 | I1287 A1290 E1374 V1380 L1381 I1382 Y1385 | I1287-I1378 HydrophobicContact CD1-CB 4.13Å; I1287-I1378 HydrophobicContact CD1-CG2 4.42Å; I1287-I1378 HydrophobicContact CG1-CB 4.46Å; I1287-I1378 HydrophobicContact CG1-CG2 4.23Å; I1287-I1378 HydrophobicContact CG2-CB 4.1Å; I1287-I1378 HydrophobicContact CG2-CD1 3.88Å; I1287-I1378 HydrophobicContact CG2-CG2 3.83Å; A1290-I1378 HydrophobicContact CB-CG2 4.25Å; E1374-I1378 HydrophobicContact CG-CD1 3.95Å; E1374-I1378 PolarHBondContact O-N 2.78Å; E1374-I1378 VanDerWaalsContact O-N 3.15Å; I1378-V1380 PolarHBondContact O-N 3.2Å; I1378-L1381 CarbonylContact O-C 3.58Å; I1378-L1381 WeakPolarHBondContact O-CA 3.34Å; I1378-L1381 WeakPolarHBondContact O-CB 3.32Å; I1378-L1381 PolarHBondContact O-N 3.02Å; I1378-I1382 WeakPolarHBondContact O-CG1 3.34Å; I1378-I1382 PolarHBondContact O-N 3.44Å; I1378-I1382 VanDerWaalsContact O-N 3.13Å; I1378-Y1385 HydrophobicContact CG2-CE2 4.18Å |
| 1379 | G | 82.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.4 | -45.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L1375 L1381 I1382 | L1375-G1379 WeakPolarHBondContact O-CA 3.42Å; L1375-G1379 PolarHBondContact O-N 3.03Å; G1379-L1381 PolarHBondContact O-N 3.43Å; G1379-I1382 PolarHBondContact O-N 3.48Å |
| 1380 | V | 84.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.1 | 177.4 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | L1376 I1378 Q1420 V1423 Y1474 Y1496 F1499 | L1376-V1380 PolarHBondContact O-N 2.9Å; I1378-V1380 PolarHBondContact O-N 3.2Å; V1380-Q1420 HydrophobicContact CG2-CG 3.97Å; V1380-V1423 HydrophobicContact CB-CG1 4.44Å; V1380-V1423 HydrophobicContact CB-CG2 4.21Å; V1380-V1423 HydrophobicContact CG2-CB 4.49Å; V1380-V1423 HydrophobicContact CG2-CG1 4.49Å; V1380-V1423 HydrophobicContact CG2-CG2 4.31Å; V1380-Y1474 HydrophobicContact CG1-CE2 4.17Å; V1380-Y1496 HydrophobicContact CG2-CE1 4.45Å; V1380-Y1496 WeakPolarHBondContact O-CE1 3.33Å; V1380-Y1496 PolarHBondContact O-OH 2.93Å; V1380-F1499 HydrophobicContact CB-CE1 4.47Å; V1380-F1499 HydrophobicContact CG1-CE1 4.21Å; V1380-F1499 HydrophobicContact CG2-CD1 4.3Å; V1380-F1499 HydrophobicContact CG2-CE1 3.66Å; V1380-F1499 HydrophobicContact CG2-CZ 3.9Å |
| 1381 | L | 84.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -10.7 | 180 | -59.4 | -179.8 | 0 | 0 | 0 | 113.8 | I1378 G1379 P1383 L1384 Y1385 Y1474 I1478 P1479 Y1496 | I1378-L1381 CarbonylContact O-C 3.58Å; I1378-L1381 WeakPolarHBondContact O-CA 3.34Å; I1378-L1381 WeakPolarHBondContact O-CB 3.32Å; I1378-L1381 PolarHBondContact O-N 3.02Å; G1379-L1381 PolarHBondContact O-N 3.43Å; L1381-P1383 VanDerWaalsContact C-CD 3.44Å; L1381-P1383 VanDerWaalsContact C-N 3.35Å; L1381-L1384 HydrophobicContact CD2-CD1 4.38Å; L1381-L1384 WeakPolarHBondContact O-CB 3.25Å; L1381-L1384 PolarHBondContact O-N 3.42Å; L1381-Y1385 HydrophobicContact CB-CD1 4.31Å; L1381-Y1385 HydrophobicContact CB-CD2 4.41Å; L1381-Y1385 HydrophobicContact CB-CE1 3.95Å; L1381-Y1385 HydrophobicContact CB-CE2 4.06Å; L1381-Y1385 HydrophobicContact CD1-CE1 4.3Å; L1381-Y1385 WeakPolarHBondContact CD1-OH 3.48Å; L1381-Y1385 PolarHBondContact O-N 2.82Å; L1381-Y1474 HydrophobicContact CD1-CE2 4.26Å; L1381-Y1474 HydrophobicContact CD2-CD2 4.17Å; L1381-Y1474 HydrophobicContact CD2-CE2 3.96Å; L1381-Y1474 HydrophobicContact CG-CE2 4.26Å; L1381-I1478 HydrophobicContact CD2-CG2 3.8Å; L1381-P1479 HydrophobicContact CD1-CG 3.69Å; L1381-Y1496 HydrophobicContact CD2-CE1 4.09Å |
| 1382 | I | 81.2 | Confident | 75.3 | Confident | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -52.2 | -43.7 | -178.7 | -62.8 | 173.1 | 0 | 0 | 0 | 112.9 | I1287 P1341 I1346 I1378 G1379 L1384 Y1385 I1386 | I1287-I1382 HydrophobicContact CD1-CD1 4.45Å; I1287-I1382 HydrophobicContact CG1-CD1 3.8Å; P1341-I1382 HydrophobicContact CG-CG2 4.33Å; I1346-I1382 HydrophobicContact CD1-CB 3.83Å; I1346-I1382 HydrophobicContact CD1-CD1 3.94Å; I1346-I1382 HydrophobicContact CD1-CG1 4.5Å; I1346-I1382 HydrophobicContact CD1-CG2 3.49Å; I1346-I1382 VanDerWaalsContact CD1-CG2 3.49Å; I1346-I1382 HydrophobicContact CG1-CD1 4.3Å; I1346-I1382 HydrophobicContact CG2-CD1 4.29Å; I1378-I1382 WeakPolarHBondContact O-CG1 3.34Å; I1378-I1382 PolarHBondContact O-N 3.44Å; I1378-I1382 VanDerWaalsContact O-N 3.13Å; G1379-I1382 PolarHBondContact O-N 3.48Å; I1382-L1384 VanDerWaalsContact C-N 3.28Å; I1382-L1384 PolarHBondContact O-N 2.75Å; I1382-Y1385 PolarHBondContact O-N 3.22Å; I1382-Y1385 VanDerWaalsContact O-N 3.12Å; I1382-I1386 HydrophobicContact CG2-CD1 3.61Å; I1382-I1386 HydrophobicContact CG2-CG1 4.04Å; I1382-I1386 WeakPolarHBondContact O-CB 3.47Å; I1382-I1386 WeakPolarHBondContact O-CG1 3.35Å; I1382-I1386 PolarHBondContact O-N 3.43Å |
| 1383 | P | 77 | Confident | 73.1 | Confident | 14 Ų | 14 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -36.7 | 179.2 | -23.3 | 34.2 | 0 | 0 | 0 | 113.1 | I1343 L1381 N1387 L1419 | I1343-P1383 HydrophobicContact CD1-CB 3.97Å; I1343-P1383 HydrophobicContact CD1-CG 4.34Å; I1343-P1383 HydrophobicContact CG1-CB 4.15Å; I1343-P1383 HydrophobicContact CG1-CG 4.11Å; I1343-P1383 HydrophobicContact CG2-CG 4.44Å; L1381-P1383 VanDerWaalsContact C-CD 3.44Å; L1381-P1383 VanDerWaalsContact C-N 3.35Å; P1383-N1387 WeakPolarHBondContact O-CB 3.49Å; P1383-N1387 PolarHBondContact O-N 3.31Å; P1383-L1419 HydrophobicContact CG-CD2 3.57Å |
| 1384 | L | 75.7 | Confident | 70.7 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.4 | -39.8 | 174.6 | -69.2 | 174.8 | 0 | 0 | 0 | 111.7 | L1381 I1382 N1387 F1388 I1478 P1493 Y1496 | L1381-L1384 HydrophobicContact CD2-CD1 4.38Å; L1381-L1384 WeakPolarHBondContact O-CB 3.25Å; L1381-L1384 PolarHBondContact O-N 3.42Å; I1382-L1384 VanDerWaalsContact C-N 3.28Å; I1382-L1384 PolarHBondContact O-N 2.75Å; L1384-N1387 PolarHBondContact O-N 3.25Å; L1384-F1388 WeakPolarHBondContact O-CB 3.34Å; L1384-F1388 PolarHBondContact O-N 3.49Å; L1384-I1478 HydrophobicContact CD1-CD1 3.52Å; L1384-I1478 HydrophobicContact CD1-CG2 3.95Å; L1384-P1493 HydrophobicContact CD2-CG 4.1Å; L1384-Y1496 HydrophobicContact CD1-CD1 4.28Å; L1384-Y1496 HydrophobicContact CD1-CD2 3.88Å; L1384-Y1496 HydrophobicContact CD1-CE1 3.89Å; L1384-Y1496 HydrophobicContact CD1-CE2 3.47Å; L1384-Y1496 VanDerWaalsContact CD1-CE2 3.47Å; L1384-Y1496 HydrophobicContact CD1-CG 4.29Å; L1384-Y1496 VanDerWaalsContact CD1-CZ 3.47Å; L1384-Y1496 HydrophobicContact CD2-CE2 3.98Å; L1384-Y1496 HydrophobicContact CG-CD2 4.45Å; L1384-Y1496 HydrophobicContact CG-CE2 3.66Å |
| 1385 | Y | 76.3 | Confident | 68.1 | Low | 24 Ų | 24 | 44.5 Ų | 44.5 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 179.4 | -68.1 | -3.9 | 0 | 0 | 0 | 112 | A1290 I1378 L1381 I1382 F1388 L1389 P1479 P1481 | A1290-Y1385 HydrophobicContact CB-CD2 4.04Å; I1378-Y1385 HydrophobicContact CG2-CE2 4.18Å; L1381-Y1385 HydrophobicContact CB-CD1 4.31Å; L1381-Y1385 HydrophobicContact CB-CD2 4.41Å; L1381-Y1385 HydrophobicContact CB-CE1 3.95Å; L1381-Y1385 HydrophobicContact CB-CE2 4.06Å; L1381-Y1385 HydrophobicContact CD1-CE1 4.3Å; L1381-Y1385 WeakPolarHBondContact CD1-OH 3.48Å; L1381-Y1385 PolarHBondContact O-N 2.82Å; I1382-Y1385 PolarHBondContact O-N 3.22Å; I1382-Y1385 VanDerWaalsContact O-N 3.12Å; Y1385-F1388 PolarHBondContact O-N 3.23Å; Y1385-L1389 WeakPolarHBondContact O-CB 3.35Å; Y1385-L1389 VanDerWaalsContact O-CG 3.29Å; Y1385-L1389 WeakPolarHBondContact O-CG 3.42Å; Y1385-L1389 PolarHBondContact O-N 3.04Å; Y1385-P1479 WeakPolarHBondContact CE1-O 3.39Å; Y1385-P1481 HydrophobicContact CD1-CB 3.91Å; Y1385-P1481 HydrophobicContact CD1-CG 4.01Å; Y1385-P1481 HydrophobicContact CD2-CB 3.92Å; Y1385-P1481 HydrophobicContact CE1-CB 4.1Å; Y1385-P1481 HydrophobicContact CE1-CG 4.37Å; Y1385-P1481 HydrophobicContact CE2-CB 4.1Å; Y1385-P1481 HydrophobicContact CG-CB 3.8Å; Y1385-P1481 HydrophobicContact CG-CG 4.23Å |
| 1386 | I | 70.2 | Confident | 65.5 | Low | 22 Ų | 22 | 50.1 Ų | 50.1 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60 | -53 | 171.6 | -75 | 173 | 0 | 0 | 0 | 110.4 | F1289 L1340 P1341 I1382 F1388 L1389 F1390 | F1289-I1386 HydrophobicContact CE1-CG1 4.16Å; L1340-I1386 HydrophobicContact CB-CD1 4.43Å; L1340-I1386 HydrophobicContact CD2-CD1 4.46Å; L1340-I1386 HydrophobicContact CD2-CG1 4.16Å; L1340-I1386 HydrophobicContact CD2-CG2 3.75Å; L1340-I1386 HydrophobicContact CG-CD1 4.41Å; L1340-I1386 HydrophobicContact CG-CG1 4.3Å; P1341-I1386 WeakPolarHBondContact O-CD1 3.3Å; I1382-I1386 HydrophobicContact CG2-CD1 3.61Å; I1382-I1386 HydrophobicContact CG2-CG1 4.04Å; I1382-I1386 WeakPolarHBondContact O-CB 3.47Å; I1382-I1386 WeakPolarHBondContact O-CG1 3.35Å; I1382-I1386 PolarHBondContact O-N 3.43Å; I1386-F1388 VanDerWaalsContact C-N 3.27Å; I1386-F1388 PolarHBondContact O-N 3.38Å; I1386-L1389 PolarHBondContact O-N 3.34Å; I1386-F1390 PolarHBondContact O-N 2.86Å |
| 1387 | N | 67.2 | Low | 62.9 | Low | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -33.2 | 179.6 | -75.4 | -11.8 | 0 | 0 | 0 | 112.9 | P1383 L1384 | P1383-N1387 WeakPolarHBondContact O-CB 3.49Å; P1383-N1387 PolarHBondContact O-N 3.31Å; L1384-N1387 PolarHBondContact O-N 3.25Å |
| 1388 | F | 63.8 | Low | 60.5 | Low | 87 Ų | 87 | 59.8 Ų | 59.8 | 38% | 0.382 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.8 | -40.3 | 178.8 | -175.9 | -94.8 | 0 | 0 | 0 | 113.1 | L1384 Y1385 I1386 K1480 P1481 L1489 | L1384-F1388 WeakPolarHBondContact O-CB 3.34Å; L1384-F1388 PolarHBondContact O-N 3.49Å; Y1385-F1388 PolarHBondContact O-N 3.23Å; I1386-F1388 VanDerWaalsContact C-N 3.27Å; I1386-F1388 PolarHBondContact O-N 3.38Å; F1388-K1480 HydrophobicContact CE1-CD 4.42Å; F1388-K1480 HydrophobicContact CE2-CD 4.08Å; F1388-K1480 HydrophobicContact CZ-CD 3.79Å; F1388-P1481 HydrophobicContact CD1-CG 3.72Å; F1388-P1481 HydrophobicContact CE1-CG 4.24Å; F1388-L1489 HydrophobicContact CD2-CD2 3.93Å; F1388-L1489 HydrophobicContact CE2-CD2 4.2Å |
| 1389 | L | 64.1 | Low | 58 | Low | 42 Ų | 42 | 63.1 Ų | 63.1 | 22% | 0.22 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -81 | -29.5 | -178.8 | -68.5 | 169.8 | 0 | 0 | 0 | 112.6 | Y1385 I1386 P1391 P1481 | Y1385-L1389 WeakPolarHBondContact O-CB 3.35Å; Y1385-L1389 VanDerWaalsContact O-CG 3.29Å; Y1385-L1389 WeakPolarHBondContact O-CG 3.42Å; Y1385-L1389 PolarHBondContact O-N 3.04Å; I1386-L1389 PolarHBondContact O-N 3.34Å; L1389-P1391 VanDerWaalsContact C-CD 3.41Å; L1389-P1391 WeakPolarHBondContact O-CD 3.3Å; L1389-P1481 HydrophobicContact CD2-CG 4.42Å; L1389-P1481 HydrophobicContact CG-CG 4.38Å |
| 1390 | F | 61.7 | Low | 55.5 | Low | 66 Ų | 66 | 69.3 Ų | 69.3 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | trans | -128 | 56.8 | -174.8 | -61.2 | -88.5 | 0 | 0 | 0 | 112.7 | F1289 L1340 I1386 T1392 V1393 | F1289-F1390 HydrophobicContact CE1-CE2 4.45Å; F1289-F1390 HydrophobicContact CE2-CE2 4.11Å; F1289-F1390 HydrophobicContact CE2-CZ 4.34Å; F1289-F1390 HydrophobicContact CZ-CD2 4.23Å; F1289-F1390 AromaticContact CZ-CE2 3.46Å; F1289-F1390 HydrophobicContact CZ-CE2 3.46Å; F1289-F1390 VanDerWaalsContact CZ-CE2 3.46Å; F1289-F1390 HydrophobicContact CZ-CZ 4.1Å; L1340-F1390 HydrophobicContact CD2-CD2 4.22Å; L1340-F1390 HydrophobicContact CD2-CG 4.48Å; I1386-F1390 PolarHBondContact O-N 2.86Å; F1390-T1392 PolarHBondContact O-N 2.96Å; F1390-V1393 HydrophobicContact CB-CB 4.23Å; F1390-V1393 HydrophobicContact CB-CG2 3.94Å; F1390-V1393 HydrophobicContact CD1-CG2 4.04Å; F1390-V1393 HydrophobicContact CG-CG2 4.44Å; F1390-V1393 PolarHBondContact O-N 3.15Å | ||
| 1391 | P | 50.3 | Low | 52.9 | Low | 95 Ų | 95 | 75 Ų | 75 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.5 | -175.1 | 26.2 | -35.8 | 0 | 0 | 0 | 113.9 | L1389 | L1389-P1391 VanDerWaalsContact C-CD 3.41Å; L1389-P1391 WeakPolarHBondContact O-CD 3.3Å |
| 1392 | T | 46.9 | Very low | 50.2 | Low | 113 Ų | 113 | 80.8 Ų | 80.8 | 69% | 0.693 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -13.3 | -176.4 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | F1390 S1394 | F1390-T1392 PolarHBondContact O-N 2.96Å; T1392-S1394 VanDerWaalsContact C-N 3.32Å; T1392-S1394 PolarHBondContact O-N 2.92Å |
| 1393 | V | 41.3 | Very low | 47.6 | Very low | 97 Ų | 97 | 88 Ų | 88 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.7 | -174.7 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | F1390 | F1390-V1393 HydrophobicContact CB-CB 4.23Å; F1390-V1393 HydrophobicContact CB-CG2 3.94Å; F1390-V1393 HydrophobicContact CD1-CG2 4.04Å; F1390-V1393 HydrophobicContact CG-CG2 4.44Å; F1390-V1393 PolarHBondContact O-N 3.15Å |
| 1394 | S | 34.9 | Very low | 45.2 | Very low | 80 Ų | 80 | 92.3 Ų | 92.3 | 56% | 0.559 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 10.7 | -174 | -62.5 | 0 | 0 | 0 | 0 | 116.1 | T1392 | T1392-S1394 VanDerWaalsContact C-N 3.32Å; T1392-S1394 PolarHBondContact O-N 2.92Å |
| 1395 | T | 30.2 | Very low | 42.8 | Very low | 73 Ų | 73 | 96.5 Ų | 96.5 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | trans | -154.2 | 82.5 | 171.5 | 45.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1396 | T | 30.8 | Very low | 40.5 | Very low | 123 Ų | 123 | 101.2 Ų | 101.2 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -129 | 5.2 | 159.7 | -20.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1397 | T | 32.6 | Very low | 38.6 | Very low | 119 Ų | 119 | 105.7 Ų | 105.7 | 73% | 0.73 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -126.7 | -5.3 | 176.3 | -34 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1398 | M | 34.9 | Very low | 36.7 | Very low | 150 Ų | 150 | 106.7 Ų | 106.7 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -105.5 | -13.4 | 176.2 | -90.3 | -77.9 | 154.7 | 0 | 0 | 114 | ||
| 1399 | M | 27.9 | Very low | 35.2 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 50% | 0.502 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -90 | -9.9 | -167.1 | -139.6 | 173.4 | -152.7 | 0 | 0 | 115.5 | T1401 | M1399-T1401 PolarHBondContact O-N 3.4Š|
| 1400 | T | 29.9 | Very low | 34 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -77.4 | 1.1 | -177.8 | -24 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1401 | T | 30.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 73% | 0.73 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -123.9 | -0.9 | 177.3 | 40.4 | 0 | 0 | 0 | 0 | 115.3 | M1399 | M1399-T1401 PolarHBondContact O-N 3.4Š|
| 1402 | L | 26.6 | Very low | 32.5 | Very low | 124 Ų | 124 | 115.4 Ų | 115.4 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | trans | -132.9 | 33.6 | 179.2 | -75.6 | 176.4 | 0 | 0 | 0 | 115 | S1404 | L1402-S1404 PolarHBondContact O-N 3.5Š| ||
| 1403 | L | 26.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 117 Ų | 117 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 60.9 | 161 | -87.5 | 164.2 | 0 | 0 | 0 | 111.6 | ||
| 1404 | S | 26.6 | Very low | 33.7 | Very low | 104 Ų | 104 | 113 Ų | 113 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.2 | 23.5 | 164.4 | 62.6 | 0 | 0 | 0 | 0 | 116.1 | L1402 | L1402-S1404 PolarHBondContact O-N 3.5Š|
| 1405 | T | 26.7 | Very low | 35.5 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -152.4 | 154 | 156.7 | 27.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1406 | T | 27.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 76% | 0.761 | 64% | 0.636 | S | S | * | * | trans | -49.3 | 149.1 | 178.6 | 40.2 | 0 | 0 | 0 | 0 | 112.7 | S1408 | T1406-S1408 PolarHBondContact O-N 2.85Š| ||
| 1407 | P | 30.6 | Very low | 40.4 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 75% | 0.747 | 62% | 0.618 | S | S | * | * | trans | -57.4 | 109.4 | -176.6 | 24 | -34.1 | 0 | 0 | 0 | 109.8 | M1409 | P1407-M1409 PolarHBondContact O-N 3.31Š| ||
| 1408 | S | 27.1 | Very low | 42.8 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | trans | -63.4 | 102.5 | 179.8 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | T1406 I1410 | T1406-S1408 PolarHBondContact O-N 2.85Å; S1408-I1410 PolarHBondContact O-N 3.26Å | ||
| 1409 | M | 32.3 | Very low | 45.3 | Very low | 152 Ų | 152 | 97.8 Ų | 97.8 | 75% | 0.749 | 57% | 0.571 | S | S | * | * | trans | -49.9 | 133.8 | 159.5 | -65.9 | -151 | 74.4 | 0 | 0 | 107.5 | P1407 I1411 | P1407-M1409 PolarHBondContact O-N 3.31Å; M1409-I1411 PolarHBondContact O-N 3.03Å | ||
| 1410 | I | 38.2 | Very low | 48.1 | Very low | 139 Ų | 139 | 93 Ų | 93 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | trans | -51.2 | 111 | -172 | -60.4 | 168.6 | 0 | 0 | 0 | 108.4 | S1408 D1412 | S1408-I1410 PolarHBondContact O-N 3.26Å; I1410-D1412 HydrophobicContact CG2-CB 4.19Å; I1410-D1412 PolarHBondContact O-N 3.26Å | ||
| 1411 | I | 35.7 | Very low | 50.9 | Low | 148 Ų | 148 | 90.5 Ų | 90.5 | 76% | 0.759 | 53% | 0.527 | S | S | * | . | trans | -76.2 | 87.8 | 174.1 | -56.3 | 178.4 | 0 | 0 | 0 | 105.1 | M1409 | M1409-I1411 PolarHBondContact O-N 3.03Š| ||
| 1412 | D | 46.1 | Very low | 53.6 | Low | 33 Ų | 33 | 84.8 Ų | 84.8 | 18% | 0.176 | 49% | 0.492 | C | S | . | . | trans | -91.7 | 104 | -173.9 | -167.7 | 36.3 | 0 | 0 | 0 | 107.5 | I1410 G1414 L1494 N1495 | I1410-D1412 HydrophobicContact CG2-CB 4.19Å; I1410-D1412 PolarHBondContact O-N 3.26Å; D1412-G1414 PolarHBondContact O-N 3.42Å; D1412-L1494 PolarHBondContact OD2-N 2.93Å; D1412-N1495 PolarHBondContact OD1-ND2 3.35Å; D1412-N1495 WeakPolarHBondContact OD2-CB 3.49Å; D1412-N1495 PolarHBondContact OD2-N 3.5Å; D1412-N1495 PolarHBondContact OD2-ND2 3.43Å | ||
| 1413 | D | 53.1 | Low | 56.6 | Low | 148 Ų | 148 | 78.9 Ų | 78.9 | 79% | 0.791 | 46% | 0.461 | S | S | * | . | trans | -63.5 | 10.3 | -172.8 | -74.2 | -30.2 | 0 | 0 | 0 | 114.7 | A1415 | D1413-A1415 PolarHBondContact O-N 2.78Š| ||
| 1414 | G | 59.2 | Low | 59.5 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 13% | 0.134 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 68.9 | -1.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1412 V1498 | D1412-G1414 PolarHBondContact O-N 3.42Å; G1414-V1498 WeakPolarHBondContact O-CG2 3.32Å |
| 1415 | A | 73.9 | Confident | 62.4 | Low | 64 Ų | 64 | 71.8 Ų | 71.8 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 140.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D1413 N1417 N1495 | D1413-A1415 PolarHBondContact O-N 2.78Å; A1415-N1417 PolarHBondContact O-N 2.92Å; A1415-N1495 WeakPolarHBondContact O-CB 3.38Å |
| 1416 | L | 80 | Confident | 65.4 | Low | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 132.8 | 172.4 | -66.4 | 176.6 | 0 | 0 | 0 | 109.3 | Q1420 E1421 L1424 V1498 F1499 K1502 | L1416-Q1420 HydrophobicContact CB-CB 4.49Å; L1416-Q1420 HydrophobicContact CD2-CB 4.34Å; L1416-E1421 HydrophobicContact CB-CG 3.66Å; L1416-E1421 HydrophobicContact CD1-CG 4.02Å; L1416-L1424 HydrophobicContact CD1-CD2 4.46Å; L1416-V1498 HydrophobicContact CD2-CB 4.26Å; L1416-V1498 HydrophobicContact CD2-CG1 4.01Å; L1416-V1498 HydrophobicContact CG-CG1 4.29Å; L1416-F1499 VanDerWaalsContact CD2-CA 3.48Å; L1416-F1499 HydrophobicContact CD2-CB 3.62Å; L1416-F1499 HydrophobicContact CD2-CD2 4.45Å; L1416-K1502 HydrophobicContact CD1-CD 3.92Å; L1416-K1502 VanDerWaalsContact CD1-NZ 3.3Å |
| 1417 | N | 83.2 | Confident | 68.2 | Low | 70 Ų | 70 | 60.3 Ų | 60.3 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 149 | 168.2 | -73.9 | -19.8 | 0 | 0 | 0 | 109.5 | A1415 L1419 Q1420 E1421 N1495 | A1415-N1417 PolarHBondContact O-N 2.92Å; N1417-L1419 PolarHBondContact O-N 3.11Å; N1417-Q1420 WeakPolarHBondContact O-CA 3.3Å; N1417-Q1420 WeakPolarHBondContact O-CB 3.39Å; N1417-Q1420 PolarHBondContact O-N 3.03Å; N1417-E1421 PolarHBondContact O-N 3.49Å; N1417-N1495 PolarHBondContact ND2-ND2 3.06Å; N1417-N1495 VanDerWaalsContact ND2-ND2 3.11Å |
| 1418 | S | 83.4 | Confident | 71 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 47% | 0.469 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -51.8 | -35.8 | -179.5 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | E1421 A1422 | S1418-E1421 PolarHBondContact O-N 2.94Å; S1418-A1422 WeakPolarHBondContact O-CB 3.48Å; S1418-A1422 PolarHBondContact O-N 3.03Å |
| 1419 | L | 86.6 | Confident | 73.7 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 171.5 | 177 | 59.6 | 0 | 0 | 0 | 113.3 | I1343 I1346 T1347 F1350 P1383 N1417 E1421 A1422 V1423 | I1343-L1419 HydrophobicContact CG2-CB 4.46Å; I1346-L1419 HydrophobicContact CB-CD1 4.26Å; I1346-L1419 HydrophobicContact CG2-CD1 3.64Å; I1346-L1419 HydrophobicContact CG2-CD2 4.32Å; T1347-L1419 WeakPolarHBondContact OG1-CB 3.32Å; T1347-L1419 PolarHBondContact OG1-N 3.45Å; F1350-L1419 HydrophobicContact CD2-CD1 3.73Å; F1350-L1419 HydrophobicContact CE2-CD1 4.23Å; P1383-L1419 HydrophobicContact CG-CD2 3.57Å; N1417-L1419 PolarHBondContact O-N 3.11Å; L1419-E1421 VanDerWaalsContact C-N 3.31Å; L1419-A1422 PolarHBondContact O-N 3.27Å; L1419-V1423 HydrophobicContact CD1-CG2 4.29Å; L1419-V1423 WeakPolarHBondContact O-CG2 3.46Å; L1419-V1423 PolarHBondContact O-N 2.8Å |
| 1420 | Q | 87.8 | Confident | 76.2 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 179.4 | -71.8 | 163.8 | -20.9 | 0 | 0 | 110.2 | V1380 L1416 N1417 L1424 N1495 F1499 | V1380-Q1420 HydrophobicContact CG2-CG 3.97Å; L1416-Q1420 HydrophobicContact CB-CB 4.49Å; L1416-Q1420 HydrophobicContact CD2-CB 4.34Å; N1417-Q1420 WeakPolarHBondContact O-CA 3.3Å; N1417-Q1420 WeakPolarHBondContact O-CB 3.39Å; N1417-Q1420 PolarHBondContact O-N 3.03Å; Q1420-L1424 WeakPolarHBondContact O-CB 3.26Å; Q1420-L1424 PolarHBondContact O-N 3.28Å; Q1420-N1495 PolarHBondContact NE2-OD1 3.42Å; Q1420-N1495 VanDerWaalsContact NE2-OD1 3.15Å; Q1420-F1499 HydrophobicContact CB-CB 4.27Å; Q1420-F1499 HydrophobicContact CB-CD2 3.68Å; Q1420-F1499 HydrophobicContact CB-CE2 4.19Å; Q1420-F1499 HydrophobicContact CB-CG 3.97Å; Q1420-F1499 HydrophobicContact CG-CB 4.21Å; Q1420-F1499 HydrophobicContact CG-CD1 4.32Å; Q1420-F1499 HydrophobicContact CG-CD2 4.19Å; Q1420-F1499 HydrophobicContact CG-CG 3.98Å; Q1420-F1499 VanDerWaalsContact O-CE2 3.25Å; Q1420-F1499 WeakPolarHBondContact O-CE2 3.32Å |
| 1421 | E | 87.1 | Confident | 78.4 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 36% | 0.36 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 172.4 | -62.4 | -157.9 | 155.3 | 0 | 0 | 112.9 | L1416 N1417 S1418 L1419 V1423 L1424 R1425 | L1416-E1421 HydrophobicContact CB-CG 3.66Å; L1416-E1421 HydrophobicContact CD1-CG 4.02Å; N1417-E1421 PolarHBondContact O-N 3.49Å; S1418-E1421 PolarHBondContact O-N 2.94Å; L1419-E1421 VanDerWaalsContact C-N 3.31Å; E1421-V1423 VanDerWaalsContact C-N 3.34Å; E1421-V1423 PolarHBondContact O-N 3.35Å; E1421-L1424 CarbonylContact O-C 3.54Å; E1421-L1424 WeakPolarHBondContact O-CB 3.18Å; E1421-L1424 PolarHBondContact O-N 3.48Å; E1421-L1424 VanDerWaalsContact O-N 3.1Å; E1421-R1425 VanDerWaalsContact O-CG 3.3Å; E1421-R1425 WeakPolarHBondContact O-CG 3.02Å; E1421-R1425 PolarHBondContact O-N 3.23Å; E1421-R1425 IonicContact OE2-CZ 3.95Å; E1421-R1425 IonicContact OE2-NH2 3.67Å; E1421-R1425 PolarHBondContact OE2-NH2 3.48Å |
| 1422 | A | 87.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1347 F1350 D1351 S1418 L1419 L1424 R1425 C1426 | T1347-A1422 HydrophobicContact CG2-CB 4.24Å; F1350-A1422 HydrophobicContact CB-CB 4.25Å; D1351-A1422 WeakPolarHBondContact OD1-CB 3.21Å; S1418-A1422 WeakPolarHBondContact O-CB 3.48Å; S1418-A1422 PolarHBondContact O-N 3.03Å; L1419-A1422 PolarHBondContact O-N 3.27Å; A1422-L1424 VanDerWaalsContact C-N 3.33Å; A1422-L1424 PolarHBondContact O-N 3.48Å; A1422-R1425 WeakPolarHBondContact O-CB 3.04Å; A1422-R1425 PolarHBondContact O-N 2.97Å; A1422-C1426 PolarHBondContact O-N 2.9Å; A1422-C1426 PolarHBondContact O-SG 3.26Å |
| 1423 | V | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | F1350 L1376 V1380 L1419 E1421 C1426 L1427 F1499 | F1350-V1423 HydrophobicContact CD2-CG2 4Å; F1350-V1423 HydrophobicContact CE2-CG2 4.38Å; F1350-V1423 HydrophobicContact CG-CG2 4.22Å; L1376-V1423 HydrophobicContact CD2-CG1 4.11Å; L1376-V1423 HydrophobicContact CD2-CG2 4.25Å; V1380-V1423 HydrophobicContact CB-CG1 4.44Å; V1380-V1423 HydrophobicContact CB-CG2 4.21Å; V1380-V1423 HydrophobicContact CG2-CB 4.49Å; V1380-V1423 HydrophobicContact CG2-CG1 4.49Å; V1380-V1423 HydrophobicContact CG2-CG2 4.31Å; L1419-V1423 HydrophobicContact CD1-CG2 4.29Å; L1419-V1423 WeakPolarHBondContact O-CG2 3.46Å; L1419-V1423 PolarHBondContact O-N 2.8Å; E1421-V1423 VanDerWaalsContact C-N 3.34Å; E1421-V1423 PolarHBondContact O-N 3.35Å; V1423-C1426 WeakPolarHBondContact O-CB 3.38Å; V1423-C1426 PolarHBondContact O-N 2.97Å; V1423-L1427 HydrophobicContact CG1-CD1 4.07Å; V1423-L1427 VanDerWaalsContact O-CG 3.32Å; V1423-L1427 WeakPolarHBondContact O-CG 3.45Å; V1423-L1427 PolarHBondContact O-N 2.99Å; V1423-F1499 HydrophobicContact CB-CE2 4.5Å; V1423-F1499 HydrophobicContact CB-CZ 4.34Å; V1423-F1499 HydrophobicContact CG1-CE2 4.28Å; V1423-F1499 HydrophobicContact CG1-CZ 3.75Å |
| 1424 | L | 87.3 | Confident | 83.3 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 176.3 | -160.1 | 70.9 | 0 | 0 | 0 | 112.4 | L1416 Q1420 E1421 A1422 L1427 N1428 F1499 K1502 I1506 | L1416-L1424 HydrophobicContact CD1-CD2 4.46Å; Q1420-L1424 WeakPolarHBondContact O-CB 3.26Å; Q1420-L1424 PolarHBondContact O-N 3.28Å; E1421-L1424 CarbonylContact O-C 3.54Å; E1421-L1424 WeakPolarHBondContact O-CB 3.18Å; E1421-L1424 PolarHBondContact O-N 3.48Å; E1421-L1424 VanDerWaalsContact O-N 3.1Å; A1422-L1424 VanDerWaalsContact C-N 3.33Å; A1422-L1424 PolarHBondContact O-N 3.48Å; L1424-L1427 PolarHBondContact O-N 3.29Å; L1424-N1428 WeakPolarHBondContact O-CB 3.16Å; L1424-N1428 PolarHBondContact O-N 3.13Å; L1424-N1428 PolarHBondContact O-ND2 2.8Å; L1424-F1499 HydrophobicContact CB-CE2 4.22Å; L1424-F1499 HydrophobicContact CD1-CD2 4.47Å; L1424-F1499 HydrophobicContact CD1-CE2 4.13Å; L1424-K1502 HydrophobicContact CD1-CB 4.48Å; L1424-K1502 HydrophobicContact CD2-CB 4.13Å; L1424-K1502 HydrophobicContact CD2-CD 3.92Å; L1424-I1506 HydrophobicContact CD1-CD1 3.5Å; L1424-I1506 VanDerWaalsContact CD1-CD1 3.5Å; L1424-I1506 HydrophobicContact CG-CD1 4.04Å |
| 1425 | R | 87.8 | Confident | 83.5 | Confident | 97 Ų | 97 | 34.4 Ų | 34.4 | 37% | 0.366 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.2 | -42 | 173.3 | -64.9 | 169 | -149.7 | 143.4 | 1.6 | 110.9 | D1351 I1354 E1421 A1422 N1428 C1429 | D1351-R1425 IonicContact OD1-CZ 3.49Å; D1351-R1425 IonicContact OD1-NH1 2.7Å; D1351-R1425 PolarHBondContact OD1-NH1 3.33Å; D1351-R1425 IonicContact OD2-NH1 2.69Å; D1351-R1425 PolarHBondContact OD2-NH1 3.38Å; I1354-R1425 HydrophobicContact CD1-CB 3.62Å; E1421-R1425 VanDerWaalsContact O-CG 3.3Å; E1421-R1425 WeakPolarHBondContact O-CG 3.02Å; E1421-R1425 PolarHBondContact O-N 3.23Å; E1421-R1425 IonicContact OE2-CZ 3.95Å; E1421-R1425 IonicContact OE2-NH2 3.67Å; E1421-R1425 PolarHBondContact OE2-NH2 3.48Å; A1422-R1425 WeakPolarHBondContact O-CB 3.04Å; A1422-R1425 PolarHBondContact O-N 2.97Å; R1425-N1428 PolarHBondContact O-N 3.39Å; R1425-C1429 VanDerWaalsContact O-CB 3.3Å; R1425-C1429 WeakPolarHBondContact O-CB 3.38Å; R1425-C1429 PolarHBondContact O-N 3.46Å |
| 1426 | C | 89.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 112 | F1350 F1353 L1376 A1422 V1423 C1429 L1430 | F1350-C1426 PolarHBondContact O-SG 3.44Å; F1353-C1426 HydrophobicContact CD1-CB 4.04Å; L1376-C1426 HydrophobicContact CD2-CB 4.05Å; A1422-C1426 PolarHBondContact O-N 2.9Å; A1422-C1426 PolarHBondContact O-SG 3.26Å; V1423-C1426 WeakPolarHBondContact O-CB 3.38Å; V1423-C1426 PolarHBondContact O-N 2.97Å; C1426-C1429 WeakPolarHBondContact O-CB 3.38Å; C1426-C1429 PolarHBondContact O-N 3.24Å; C1426-L1430 WeakPolarHBondContact O-CG 3.26Å; C1426-L1430 PolarHBondContact O-N 3.48Å |
| 1427 | L | 87.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 176 | -70.4 | 166 | 0 | 0 | 0 | 111.6 | L1376 V1423 L1424 C1429 L1430 V1431 L1467 L1468 I1471 | L1376-L1427 HydrophobicContact CD1-CD2 4.34Å; V1423-L1427 HydrophobicContact CG1-CD1 4.07Å; V1423-L1427 VanDerWaalsContact O-CG 3.32Å; V1423-L1427 WeakPolarHBondContact O-CG 3.45Å; V1423-L1427 PolarHBondContact O-N 2.99Å; L1424-L1427 PolarHBondContact O-N 3.29Å; L1427-C1429 VanDerWaalsContact C-N 3.33Å; L1427-C1429 PolarHBondContact O-N 2.96Å; L1427-L1430 WeakPolarHBondContact O-CB 3.49Å; L1427-L1430 PolarHBondContact O-N 3.32Å; L1427-V1431 WeakPolarHBondContact O-CG2 3.31Å; L1427-V1431 PolarHBondContact O-N 2.94Å; L1427-L1467 HydrophobicContact CD2-CD2 3.5Å; L1427-L1467 HydrophobicContact CD2-CG 3.9Å; L1427-L1468 HydrophobicContact CB-CD2 4.3Å; L1427-L1468 HydrophobicContact CD1-CD2 4.05Å; L1427-L1468 HydrophobicContact CD2-CD2 4.41Å; L1427-L1468 HydrophobicContact CG-CD2 4.49Å; L1427-I1471 HydrophobicContact CD1-CD1 3.78Å |
| 1428 | N | 87.5 | Confident | 79.7 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 176 | -77.9 | -35.5 | 0 | 0 | 0 | 112.6 | L1424 R1425 L1430 V1431 Q1432 I1506 | L1424-N1428 WeakPolarHBondContact O-CB 3.16Å; L1424-N1428 PolarHBondContact O-N 3.13Å; L1424-N1428 PolarHBondContact O-ND2 2.8Å; R1425-N1428 PolarHBondContact O-N 3.39Å; N1428-L1430 VanDerWaalsContact C-N 3.34Å; N1428-L1430 PolarHBondContact O-N 2.96Å; N1428-V1431 PolarHBondContact O-N 3.31Å; N1428-Q1432 WeakPolarHBondContact O-CB 3.37Å; N1428-Q1432 VanDerWaalsContact O-CG 3.29Å; N1428-Q1432 WeakPolarHBondContact O-CG 3.33Å; N1428-Q1432 PolarHBondContact O-N 2.98Å; N1428-I1506 WeakPolarHBondContact OD1-CD1 3.2Å |
| 1429 | C | 85.5 | Confident | 78 | Confident | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.095 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | I1354 R1425 C1426 L1427 N1433 | I1354-C1429 HydrophobicContact CG1-CB 4.43Å; R1425-C1429 VanDerWaalsContact O-CB 3.3Å; R1425-C1429 WeakPolarHBondContact O-CB 3.38Å; R1425-C1429 PolarHBondContact O-N 3.46Å; C1426-C1429 WeakPolarHBondContact O-CB 3.38Å; C1426-C1429 PolarHBondContact O-N 3.24Å; L1427-C1429 VanDerWaalsContact C-N 3.33Å; L1427-C1429 PolarHBondContact O-N 2.96Å; C1429-N1433 WeakPolarHBondContact O-CB 3.46Å; C1429-N1433 PolarHBondContact O-N 3.15Å; C1429-N1433 VanDerWaalsContact O-N 3.08Å; C1429-N1433 PolarHBondContact O-ND2 3.47Å; C1429-N1433 PolarHBondContact SG-ND2 2.95Å |
| 1430 | L | 85.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 174.8 | -65.9 | 164.8 | 0 | 0 | 0 | 111.6 | F1353 F1357 F1369 L1372 L1376 C1426 L1427 N1428 Q1432 N1433 F1434 V1464 | F1353-L1430 HydrophobicContact CE1-CD2 4.44Å; F1353-L1430 HydrophobicContact CE1-CG 4.49Å; F1353-L1430 HydrophobicContact CZ-CD2 4.23Å; F1357-L1430 HydrophobicContact CE2-CD2 4.49Å; F1369-L1430 HydrophobicContact CE2-CD1 4.25Å; L1372-L1430 HydrophobicContact CD2-CD1 3.98Å; L1372-L1430 HydrophobicContact CD2-CD2 4.22Å; L1376-L1430 HydrophobicContact CD1-CD1 4.34Å; C1426-L1430 WeakPolarHBondContact O-CG 3.26Å; C1426-L1430 PolarHBondContact O-N 3.48Å; L1427-L1430 WeakPolarHBondContact O-CB 3.49Å; L1427-L1430 PolarHBondContact O-N 3.32Å; N1428-L1430 VanDerWaalsContact C-N 3.34Å; N1428-L1430 PolarHBondContact O-N 2.96Å; L1430-Q1432 PolarHBondContact O-N 2.76Å; L1430-N1433 PolarHBondContact O-N 3.37Å; L1430-F1434 HydrophobicContact CD2-CD2 4.46Å; L1430-F1434 HydrophobicContact CD2-CE2 3.91Å; L1430-F1434 VanDerWaalsContact O-CD2 3.24Å; L1430-F1434 WeakPolarHBondContact O-CD2 3.35Å; L1430-F1434 PolarHBondContact O-N 3.4Å; L1430-V1464 HydrophobicContact CB-CG2 4.46Å |
| 1431 | V | 82.9 | Confident | 73.8 | Confident | 24 Ų | 24 | 58 Ų | 58 | 15% | 0.145 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | L1427 N1428 N1433 G1435 V1464 L1468 I1506 L1510 | L1427-V1431 WeakPolarHBondContact O-CG2 3.31Å; L1427-V1431 PolarHBondContact O-N 2.94Å; N1428-V1431 PolarHBondContact O-N 3.31Å; V1431-N1433 PolarHBondContact O-N 2.98Å; V1431-G1435 WeakPolarHBondContact O-CA 3.45Å; V1431-G1435 PolarHBondContact O-N 2.79Å; V1431-V1464 HydrophobicContact CG2-CG1 3.62Å; V1431-L1468 HydrophobicContact CG2-CD1 4.11Å; V1431-I1506 HydrophobicContact CG2-CG2 4.15Å; V1431-L1510 HydrophobicContact CB-CD1 4.47Å; V1431-L1510 HydrophobicContact CG1-CD1 3.96Å; V1431-L1510 HydrophobicContact CG1-CG 4.47Å; V1431-L1510 HydrophobicContact CG2-CD1 3.76Å |
| 1432 | Q | 81 | Confident | 71.6 | Confident | 134 Ų | 134 | 63.5 Ų | 63.5 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.2 | -41.2 | 179.4 | -72.7 | 175.2 | -0.3 | 0 | 0 | 112.1 | N1428 L1430 S1436 | N1428-Q1432 WeakPolarHBondContact O-CB 3.37Å; N1428-Q1432 VanDerWaalsContact O-CG 3.29Å; N1428-Q1432 WeakPolarHBondContact O-CG 3.33Å; N1428-Q1432 PolarHBondContact O-N 2.98Å; L1430-Q1432 PolarHBondContact O-N 2.76Å; Q1432-S1436 PolarHBondContact O-OG 2.61Å; Q1432-S1436 VanDerWaalsContact O-OG 3.06Å |
| 1433 | N | 78.6 | Confident | 69.5 | Low | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -76.5 | -22.8 | -177.2 | -80.4 | -75.8 | 0 | 0 | 0 | 114.5 | F1357 K1361 C1429 L1430 V1431 | F1357-N1433 HydrophobicContact CE1-CB 4.1Å; K1361-N1433 WeakPolarHBondContact CE-OD1 3.43Å; K1361-N1433 PolarHBondContact NZ-OD1 3.07Å; C1429-N1433 WeakPolarHBondContact O-CB 3.46Å; C1429-N1433 PolarHBondContact O-N 3.15Å; C1429-N1433 VanDerWaalsContact O-N 3.08Å; C1429-N1433 PolarHBondContact O-ND2 3.47Å; C1429-N1433 PolarHBondContact SG-ND2 2.95Å; L1430-N1433 PolarHBondContact O-N 3.37Å; V1431-N1433 PolarHBondContact O-N 2.98Å |
| 1434 | F | 77.9 | Confident | 67.1 | Low | 27 Ų | 27 | 77.8 Ų | 77.8 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -109.7 | -15.6 | 179.4 | -64.8 | -62.6 | 0 | 0 | 0 | 114.3 | F1357 F1364 L1430 I1460 | F1357-F1434 HydrophobicContact CZ-CE2 4.21Å; F1357-F1434 HydrophobicContact CZ-CZ 4.16Å; F1364-F1434 HydrophobicContact CD1-CZ 4.31Å; L1430-F1434 HydrophobicContact CD2-CD2 4.46Å; L1430-F1434 HydrophobicContact CD2-CE2 3.91Å; L1430-F1434 VanDerWaalsContact O-CD2 3.24Å; L1430-F1434 WeakPolarHBondContact O-CD2 3.35Å; L1430-F1434 PolarHBondContact O-N 3.4Å; F1434-I1460 HydrophobicContact CD1-CD1 4.48Å; F1434-I1460 HydrophobicContact CD2-CG2 3.9Å; F1434-I1460 HydrophobicContact CE1-CD1 3.82Å; F1434-I1460 HydrophobicContact CE2-CD1 4.33Å; F1434-I1460 HydrophobicContact CE2-CG2 3.95Å; F1434-I1460 HydrophobicContact CG-CG2 4.34Å; F1434-I1460 HydrophobicContact CZ-CD1 3.74Å; F1434-I1460 HydrophobicContact CZ-CG2 4.41Å |
| 1435 | G | 64.8 | Low | 64.5 | Low | 24 Ų | 24 | 84.3 Ų | 84.3 | 25% | 0.247 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -95 | -8.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1431 W1517 | V1431-G1435 WeakPolarHBondContact O-CA 3.45Å; V1431-G1435 PolarHBondContact O-N 2.79Å; G1435-W1517 WeakPolarHBondContact O-CH2 3.43Å |
| 1436 | S | 60.2 | Low | 62.1 | Low | 72 Ų | 72 | 86.4 Ų | 86.4 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -96.9 | -6.4 | -173.3 | 62.5 | 0 | 0 | 0 | 0 | 116.2 | Q1432 Q1438 | Q1432-S1436 PolarHBondContact O-OG 2.61Å; Q1432-S1436 VanDerWaalsContact O-OG 3.06Å; S1436-Q1438 VanDerWaalsContact C-N 3.34Å; S1436-Q1438 PolarHBondContact O-N 3.47Å |
| 1437 | D | 49.4 | Very low | 59.6 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 8.3 | -161.6 | -90.8 | -5.2 | 0 | 0 | 0 | 116.7 | ||
| 1438 | Q | 48 | Very low | 57.2 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -28.8 | 172.5 | -77.6 | -79.2 | -30.3 | 0 | 0 | 113.7 | S1436 K1440 D1441 W1517 | S1436-Q1438 VanDerWaalsContact C-N 3.34Å; S1436-Q1438 PolarHBondContact O-N 3.47Å; Q1438-K1440 PolarHBondContact O-N 3.25Å; Q1438-D1441 PolarHBondContact O-N 3.12Å; Q1438-W1517 HydrophobicContact CB-CH2 4.48Å; Q1438-W1517 HydrophobicContact CB-CZ2 3.88Å; Q1438-W1517 HydrophobicContact CG-CH2 4.09Å; Q1438-W1517 HydrophobicContact CG-CZ2 3.7Å |
| 1439 | N | 46 | Very low | 54.8 | Low | 162 Ų | 162 | 106.6 Ų | 106.6 | 87% | 0.866 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 16.9 | -173.5 | -77 | -1.5 | 0 | 0 | 0 | 115 | ||
| 1440 | K | 46.4 | Very low | 52.6 | Low | 174 Ų | 174 | 109.8 Ų | 109.8 | 76% | 0.757 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -16.7 | 177.6 | -76.6 | -178.2 | 176.4 | 172.6 | 0 | 114.9 | Q1438 | Q1438-K1440 PolarHBondContact O-N 3.25Š|
| 1441 | D | 41.3 | Very low | 50.5 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -100.2 | 0.2 | -166.9 | -82.5 | 1.4 | 0 | 0 | 0 | 115.4 | Q1438 N1443 N1444 | Q1438-D1441 PolarHBondContact O-N 3.12Å; D1441-N1443 PolarHBondContact O-N 3.2Å; D1441-N1444 PolarHBondContact O-N 2.96Å |
| 1442 | E | 40.5 | Very low | 48.6 | Very low | 191 Ų | 191 | 122.8 Ų | 122.8 | 89% | 0.893 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -61.2 | -14.5 | 172 | -78.3 | -153.9 | 139 | 0 | 0 | 113.9 | ||
| 1443 | N | 42.2 | Very low | 46.8 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -99 | 11.1 | -174.5 | -113.2 | -12.8 | 0 | 0 | 0 | 115.6 | D1441 | D1441-N1443 PolarHBondContact O-N 3.2Š|
| 1444 | N | 38.8 | Very low | 45.2 | Very low | 145 Ų | 145 | 124.2 Ų | 124.2 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | trans | -136 | 58.6 | 177.1 | -104 | -29.9 | 0 | 0 | 0 | 114.5 | D1441 N1446 | D1441-N1444 PolarHBondContact O-N 2.96Å; N1444-N1446 VanDerWaalsContact C-N 3.3Å; N1444-N1446 PolarHBondContact O-N 3.49Å | ||
| 1445 | N | 34.4 | Very low | 43.8 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -62.9 | 90.2 | 155.1 | -90.4 | -39.4 | 0 | 0 | 0 | 110.3 | ||||
| 1446 | N | 36.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | 159.3 | 96.2 | 143.2 | -82.6 | -36.1 | 0 | 0 | 0 | 111.7 | N1444 | N1444-N1446 VanDerWaalsContact C-N 3.3Å; N1444-N1446 PolarHBondContact O-N 3.49Å | ||
| 1447 | N | 36.3 | Very low | 42.9 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | 177.1 | 109.7 | 127.4 | -91.8 | -33.5 | 0 | 0 | 0 | 111.3 | N1449 | N1447-N1449 PolarHBondContact O-N 3.04Š| |||
| 1448 | N | 38.3 | Very low | 43.3 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 86% | 0.856 | 67% | 0.671 | S | S | * | * | trans | -68.4 | 112.8 | 168.6 | -69.1 | -39.7 | 0 | 0 | 0 | 109.8 | ||||
| 1449 | N | 36.8 | Very low | 44.3 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 87% | 0.866 | 66% | 0.66 | S | S | * | * | trans | 160.4 | 42.2 | 141.3 | -79.5 | -20.7 | 0 | 0 | 0 | 115.6 | N1447 | N1447-N1449 PolarHBondContact O-N 3.04Š| ||
| 1450 | S | 38.5 | Very low | 45.9 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 56% | 0.559 | 62% | 0.621 | S | S | * | * | trans | -128.9 | 33.9 | 174.1 | 58 | 0 | 0 | 0 | 0 | 114.9 | I1452 | S1450-I1452 PolarHBondContact O-N 3.42Š| ||
| 1451 | N | 41 | Very low | 47.6 | Very low | 144 Ų | 144 | 109.7 Ų | 109.7 | 77% | 0.77 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 35 | -175.5 | -72.8 | -1.2 | 0 | 0 | 0 | 115.9 | N1455 | N1451-N1455 PolarHBondContact O-ND2 3.04Š|
| 1452 | I | 43.6 | Very low | 49.5 | Very low | 153 Ų | 153 | 105 Ų | 105 | 79% | 0.785 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -30.5 | 178.1 | -62.1 | -178.4 | 0 | 0 | 0 | 112.7 | S1450 | S1450-I1452 PolarHBondContact O-N 3.42Š|
| 1453 | T | 43.3 | Very low | 51.6 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -36.4 | -178.9 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | N1455 R1456 | T1453-N1455 PolarHBondContact O-N 3.02Å; T1453-R1456 PolarHBondContact O-N 3.23Å |
| 1454 | N | 45.5 | Very low | 53.7 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.3 | -174.6 | -63.9 | 24.3 | 0 | 0 | 0 | 113.5 | R1456 | N1454-R1456 VanDerWaalsContact C-N 3.26Å; N1454-R1456 PolarHBondContact O-N 3.04Å |
| 1455 | N | 48.3 | Very low | 56.1 | Low | 106 Ų | 106 | 86 Ų | 86 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -80.3 | 1.8 | 171.5 | -77.9 | -31.2 | 0 | 0 | 0 | 113.8 | N1451 T1453 S1458 | N1451-N1455 PolarHBondContact O-ND2 3.04Å; T1453-N1455 PolarHBondContact O-N 3.02Å; N1455-S1458 WeakPolarHBondContact CA-OG 3.4Å; N1455-S1458 PolarHBondContact O-OG 2.95Å |
| 1456 | R | 51.7 | Low | 58.6 | Low | 143 Ų | 143 | 80.6 Ų | 80.6 | 54% | 0.54 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.3 | -50.1 | -179 | -75.5 | -176 | 174.4 | -156.7 | 0.5 | 112.6 | E1362 T1453 N1454 S1459 | E1362-R1456 PolarHBondContact O-NH1 3.03Å; T1453-R1456 PolarHBondContact O-N 3.23Å; N1454-R1456 VanDerWaalsContact C-N 3.26Å; N1454-R1456 PolarHBondContact O-N 3.04Å; R1456-S1459 PolarHBondContact O-OG 2.93Å |
| 1457 | S | 53.6 | Low | 61.1 | Low | 34 Ų | 34 | 74 Ų | 74 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -75.2 | -37.2 | -174.1 | 34.7 | 0 | 0 | 0 | 0 | 113.5 | S1459 I1460 | S1457-S1459 VanDerWaalsContact C-N 3.31Å; S1457-S1459 PolarHBondContact O-N 2.91Å; S1457-I1460 PolarHBondContact O-N 3.27Å |
| 1458 | S | 58.3 | Low | 63.6 | Low | 20 Ų | 20 | 66.7 Ų | 66.7 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.4 | -37.9 | -178.7 | 40.2 | 0 | 0 | 0 | 0 | 115 | N1455 I1460 P1462 E1519 | N1455-S1458 WeakPolarHBondContact CA-OG 3.4Å; N1455-S1458 PolarHBondContact O-OG 2.95Å; S1458-I1460 VanDerWaalsContact C-N 3.34Å; S1458-I1460 PolarHBondContact O-N 3.14Å; S1458-P1462 VanDerWaalsContact O-CD 3.23Å; S1458-P1462 WeakPolarHBondContact O-CD 3.38Å; S1458-E1519 VanDerWaalsContact CA-OE2 3.26Å; S1458-E1519 WeakPolarHBondContact CA-OE2 3.38Å; S1458-E1519 WeakPolarHBondContact CB-OE1 3.38Å; S1458-E1519 WeakPolarHBondContact CB-OE2 3.33Å |
| 1459 | S | 68.5 | Low | 66.1 | Low | 50 Ų | 50 | 60 Ų | 60 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -21.4 | -176.9 | 67.6 | 0 | 0 | 0 | 0 | 114.8 | R1456 S1457 | R1456-S1459 PolarHBondContact O-OG 2.93Å; S1457-S1459 VanDerWaalsContact C-N 3.31Å; S1457-S1459 PolarHBondContact O-N 2.91Å |
| 1460 | I | 80 | Confident | 68.5 | Low | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -39.9 | -171 | -63.3 | 172.8 | 0 | 0 | 0 | 111.4 | L1366 F1369 F1434 S1457 S1458 R1463 V1464 | L1366-I1460 HydrophobicContact CD1-CG1 4.17Å; F1369-I1460 HydrophobicContact CD2-CG2 3.76Å; F1369-I1460 HydrophobicContact CE2-CG2 4.01Å; F1369-I1460 HydrophobicContact CG-CG2 4.08Å; F1434-I1460 HydrophobicContact CD1-CD1 4.48Å; F1434-I1460 HydrophobicContact CD2-CG2 3.9Å; F1434-I1460 HydrophobicContact CE1-CD1 3.82Å; F1434-I1460 HydrophobicContact CE2-CD1 4.33Å; F1434-I1460 HydrophobicContact CE2-CG2 3.95Å; F1434-I1460 HydrophobicContact CG-CG2 4.34Å; F1434-I1460 HydrophobicContact CZ-CD1 3.74Å; F1434-I1460 HydrophobicContact CZ-CG2 4.41Å; S1457-I1460 PolarHBondContact O-N 3.27Å; S1458-I1460 VanDerWaalsContact C-N 3.34Å; S1458-I1460 PolarHBondContact O-N 3.14Å; I1460-R1463 WeakPolarHBondContact O-CA 3.15Å; I1460-R1463 WeakPolarHBondContact O-CB 3.4Å; I1460-R1463 PolarHBondContact O-N 2.98Å; I1460-V1464 HydrophobicContact CG2-CG2 3.95Å; I1460-V1464 PolarHBondContact O-N 2.81Å |
| 1461 | L | 82.4 | Confident | 70.9 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.1 | -43.6 | -174 | -171.1 | 68.6 | 0 | 0 | 0 | 114.8 | R1463 V1464 L1465 L1510 T1514 W1517 | L1461-R1463 PolarHBondContact O-N 3.02Å; L1461-V1464 PolarHBondContact O-N 3.02Å; L1461-L1465 PolarHBondContact O-N 2.86Å; L1461-L1510 HydrophobicContact CD1-CD1 3.98Å; L1461-L1510 HydrophobicContact CD1-CD2 4.16Å; L1461-L1510 HydrophobicContact CD1-CG 4.27Å; L1461-L1510 HydrophobicContact CG-CD2 4.34Å; L1461-T1514 HydrophobicContact CD2-CG2 4.23Å; L1461-W1517 HydrophobicContact CD2-CE3 3.92Å; L1461-W1517 HydrophobicContact CD2-CZ3 3.61Å |
| 1462 | P | 81.9 | Confident | 73.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -31.2 | 174.6 | -17.3 | 26.5 | 0 | 0 | 0 | 113.1 | S1458 Q1466 M1520 Y1578 F1580 | S1458-P1462 VanDerWaalsContact O-CD 3.23Å; S1458-P1462 WeakPolarHBondContact O-CD 3.38Å; P1462-Q1466 PolarHBondContact O-N 3.23Å; P1462-M1520 VanDerWaalsContact CA-CE 3.5Å; P1462-M1520 HydrophobicContact CB-CE 3.6Å; P1462-M1520 HydrophobicContact CG-CE 3.48Å; P1462-M1520 VanDerWaalsContact CG-CE 3.48Å; P1462-Y1578 HydrophobicContact CG-CE1 4.43Å; P1462-F1580 HydrophobicContact CB-CZ 4.18Å |
| 1463 | R | 83.1 | Confident | 75.2 | Confident | 89 Ų | 89 | 38.1 Ų | 38.1 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -81.6 | -30.7 | -178.1 | -139.6 | 65.8 | 169.1 | 167.5 | -5.8 | 112 | F1369 I1460 L1461 L1467 F1580 | F1369-R1463 HydrophobicContact CD1-CB 4.49Å; F1369-R1463 HydrophobicContact CE1-CB 3.68Å; F1369-R1463 HydrophobicContact CE1-CG 3.79Å; F1369-R1463 HydrophobicContact CZ-CB 4.22Å; I1460-R1463 WeakPolarHBondContact O-CA 3.15Å; I1460-R1463 WeakPolarHBondContact O-CB 3.4Å; I1460-R1463 PolarHBondContact O-N 2.98Å; L1461-R1463 PolarHBondContact O-N 3.02Å; R1463-L1467 WeakPolarHBondContact O-CB 3.44Å; R1463-L1467 PolarHBondContact O-N 2.94Å; R1463-F1580 PolarHBondContact NH1-O 3.4Å |
| 1464 | V | 87.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 166.9 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | F1369 L1430 V1431 I1460 L1461 Q1466 L1467 L1468 L1510 | F1369-V1464 HydrophobicContact CE2-CG2 3.61Å; F1369-V1464 HydrophobicContact CZ-CG2 3.84Å; L1430-V1464 HydrophobicContact CB-CG2 4.46Å; V1431-V1464 HydrophobicContact CG2-CG1 3.62Å; I1460-V1464 HydrophobicContact CG2-CG2 3.95Å; I1460-V1464 PolarHBondContact O-N 2.81Å; L1461-V1464 PolarHBondContact O-N 3.02Å; V1464-Q1466 VanDerWaalsContact C-N 3.33Å; V1464-Q1466 PolarHBondContact O-N 3.21Å; V1464-L1467 WeakPolarHBondContact O-CB 3.35Å; V1464-L1467 PolarHBondContact O-N 2.93Å; V1464-L1468 HydrophobicContact CG1-CD1 4.12Å; V1464-L1468 WeakPolarHBondContact O-CG 3.48Å; V1464-L1468 PolarHBondContact O-N 2.66Å; V1464-L1510 HydrophobicContact CG1-CD1 4.41Å |
| 1465 | L | 87.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.1 | 179.4 | 57.9 | 0 | 0 | 0 | 111.7 | L1461 L1467 L1468 L1469 A1507 L1510 M1520 I1525 | L1461-L1465 PolarHBondContact O-N 2.86Å; L1465-L1467 PolarHBondContact O-N 3.32Å; L1465-L1468 PolarHBondContact O-N 2.63Å; L1465-L1469 HydrophobicContact CD1-CD1 4.29Å; L1465-L1469 HydrophobicContact CD1-CG 4.28Å; L1465-L1469 HydrophobicContact CG-CD1 4.15Å; L1465-L1469 WeakPolarHBondContact O-CG 3.44Å; L1465-L1469 PolarHBondContact O-N 3.27Å; L1465-A1507 HydrophobicContact CD1-CB 3.75Å; L1465-A1507 WeakPolarHBondContact CD1-O 3.5Å; L1465-L1510 HydrophobicContact CB-CD2 4.25Å; L1465-L1510 HydrophobicContact CD1-CD2 4.35Å; L1465-L1510 HydrophobicContact CD2-CD2 4.38Å; L1465-M1520 HydrophobicContact CD2-SD 3.86Å; L1465-I1525 HydrophobicContact CD2-CG2 3.62Å |
| 1466 | Q | 86.9 | Confident | 80.7 | Confident | 41 Ų | 41 | 26.3 Ų | 26.3 | 19% | 0.192 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 175.7 | -174.3 | 173 | 9.5 | 0 | 0 | 113.3 | P1462 V1464 L1469 T1470 F1580 | P1462-Q1466 PolarHBondContact O-N 3.23Å; V1464-Q1466 VanDerWaalsContact C-N 3.33Å; V1464-Q1466 PolarHBondContact O-N 3.21Å; Q1466-L1469 PolarHBondContact O-N 2.88Å; Q1466-T1470 WeakPolarHBondContact O-CB 3.16Å; Q1466-T1470 PolarHBondContact O-N 3.04Å; Q1466-T1470 PolarHBondContact O-OG1 2.78Å; Q1466-F1580 HydrophobicContact CB-CD1 4.45Å; Q1466-F1580 HydrophobicContact CB-CE1 4.29Å; Q1466-F1580 HydrophobicContact CG-CD1 4.41Å; Q1466-F1580 PolarHBondContact NE2-O 2.84Å |
| 1467 | L | 88.7 | Confident | 82.1 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.2 | -47.7 | 173.4 | 174.7 | 59.2 | 0 | 0 | 0 | 110.7 | A1373 L1376 Q1377 L1427 R1463 V1464 L1465 T1470 I1471 | A1373-L1467 HydrophobicContact CB-CD2 4.28Å; L1376-L1467 HydrophobicContact CD1-CD2 4.21Å; Q1377-L1467 HydrophobicContact CG-CD1 3.3Å; L1427-L1467 HydrophobicContact CD2-CD2 3.5Å; L1427-L1467 HydrophobicContact CD2-CG 3.9Å; R1463-L1467 WeakPolarHBondContact O-CB 3.44Å; R1463-L1467 PolarHBondContact O-N 2.94Å; V1464-L1467 WeakPolarHBondContact O-CB 3.35Å; V1464-L1467 PolarHBondContact O-N 2.93Å; L1465-L1467 PolarHBondContact O-N 3.32Å; L1467-T1470 PolarHBondContact O-N 3.14Å; L1467-I1471 HydrophobicContact CD1-CD1 3.91Å; L1467-I1471 HydrophobicContact CD1-CG1 4.43Å; L1467-I1471 HydrophobicContact CG-CD1 4.12Å; L1467-I1471 WeakPolarHBondContact O-CG1 3.23Å; L1467-I1471 PolarHBondContact O-N 3.15Å |
| 1468 | L | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -44 | 176.1 | -70.6 | 163.2 | 0 | 0 | 0 | 112.5 | L1427 V1431 V1464 L1465 T1470 I1471 A1472 I1506 A1507 L1510 | L1427-L1468 HydrophobicContact CB-CD2 4.3Å; L1427-L1468 HydrophobicContact CD1-CD2 4.05Å; L1427-L1468 HydrophobicContact CD2-CD2 4.41Å; L1427-L1468 HydrophobicContact CG-CD2 4.49Å; V1431-L1468 HydrophobicContact CG2-CD1 4.11Å; V1464-L1468 HydrophobicContact CG1-CD1 4.12Å; V1464-L1468 WeakPolarHBondContact O-CG 3.48Å; V1464-L1468 PolarHBondContact O-N 2.66Å; L1465-L1468 PolarHBondContact O-N 2.63Å; L1468-T1470 VanDerWaalsContact C-N 3.34Å; L1468-T1470 PolarHBondContact O-N 3.41Å; L1468-I1471 PolarHBondContact O-N 2.95Å; L1468-A1472 WeakPolarHBondContact O-CB 3.3Å; L1468-A1472 PolarHBondContact O-N 3.18Å; L1468-I1506 HydrophobicContact CD1-CB 4.5Å; L1468-I1506 HydrophobicContact CD1-CG2 3.81Å; L1468-I1506 HydrophobicContact CD2-CB 4.26Å; L1468-I1506 HydrophobicContact CD2-CG2 4.1Å; L1468-A1507 HydrophobicContact CB-CB 3.93Å; L1468-L1510 HydrophobicContact CD1-CD1 4.14Å |
| 1469 | L | 89.7 | Confident | 84 | Confident | 19 Ų | 19 | 25.9 Ų | 25.9 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 176.5 | -70.3 | 172.5 | 0 | 0 | 0 | 112.8 | L1465 Q1466 A1472 G1473 A1507 I1529 T1532 | L1465-L1469 HydrophobicContact CD1-CD1 4.29Å; L1465-L1469 HydrophobicContact CD1-CG 4.28Å; L1465-L1469 HydrophobicContact CG-CD1 4.15Å; L1465-L1469 WeakPolarHBondContact O-CG 3.44Å; L1465-L1469 PolarHBondContact O-N 3.27Å; Q1466-L1469 PolarHBondContact O-N 2.88Å; L1469-A1472 PolarHBondContact O-N 3.07Å; L1469-G1473 PolarHBondContact O-N 3.28Å; L1469-A1507 HydrophobicContact CD2-CB 4.02Å; L1469-A1507 HydrophobicContact CG-CB 4.34Å; L1469-I1529 HydrophobicContact CD1-CG1 3.86Å; L1469-I1529 HydrophobicContact CD2-CG1 4.06Å; L1469-T1532 HydrophobicContact CD2-CG2 4.41Å |
| 1470 | T | 86.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 26.1 Ų | 26.1 | 35% | 0.35 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | Q1466 L1467 L1468 G1473 | Q1466-T1470 WeakPolarHBondContact O-CB 3.16Å; Q1466-T1470 PolarHBondContact O-N 3.04Å; Q1466-T1470 PolarHBondContact O-OG1 2.78Å; L1467-T1470 PolarHBondContact O-N 3.14Å; L1468-T1470 VanDerWaalsContact C-N 3.34Å; L1468-T1470 PolarHBondContact O-N 3.41Å; T1470-G1473 PolarHBondContact O-N 3.04Å |
| 1471 | I | 89.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.6 | -38.6 | 176.3 | -68.1 | 167.9 | 0 | 0 | 0 | 111.3 | L1427 L1467 L1468 G1473 Y1474 F1499 A1500 S1503 | L1427-I1471 HydrophobicContact CD1-CD1 3.78Å; L1467-I1471 HydrophobicContact CD1-CD1 3.91Å; L1467-I1471 HydrophobicContact CD1-CG1 4.43Å; L1467-I1471 HydrophobicContact CG-CD1 4.12Å; L1467-I1471 WeakPolarHBondContact O-CG1 3.23Å; L1467-I1471 PolarHBondContact O-N 3.15Å; L1468-I1471 PolarHBondContact O-N 2.95Å; I1471-G1473 PolarHBondContact O-N 2.97Å; I1471-Y1474 HydrophobicContact CB-CD2 4.47Å; I1471-Y1474 HydrophobicContact CB-CE2 4.4Å; I1471-Y1474 HydrophobicContact CG1-CE2 4.09Å; I1471-Y1474 HydrophobicContact CG2-CD2 4.22Å; I1471-Y1474 HydrophobicContact CG2-CE2 4.48Å; I1471-Y1474 VanDerWaalsContact O-CB 3.23Å; I1471-Y1474 WeakPolarHBondContact O-CB 3.44Å; I1471-Y1474 PolarHBondContact O-N 2.79Å; I1471-F1499 HydrophobicContact CG2-CD1 3.88Å; I1471-F1499 HydrophobicContact CG2-CE1 3.27Å; I1471-F1499 HydrophobicContact CG2-CZ 3.76Å; I1471-A1500 WeakPolarHBondContact O-CB 3.23Å; I1471-S1503 WeakPolarHBondContact CG2-OG 3.21Å |
| 1472 | A | 88 | Confident | 81.9 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 6% | 0.058 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.7 | -29.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1468 L1469 Y1474 A1475 L1504 T1532 | L1468-A1472 WeakPolarHBondContact O-CB 3.3Å; L1468-A1472 PolarHBondContact O-N 3.18Å; L1469-A1472 PolarHBondContact O-N 3.07Å; A1472-Y1474 PolarHBondContact O-N 3.31Å; A1472-A1475 PolarHBondContact O-N 3.5Å; A1472-L1504 HydrophobicContact CB-CB 3.85Å; A1472-L1504 HydrophobicContact CB-CD1 4.12Å; A1472-T1532 HydrophobicContact CB-CG2 4.04Å |
| 1473 | G | 87.1 | Confident | 80.4 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -62 | -21.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1469 T1470 I1471 A1475 I1476 R1477 | L1469-G1473 PolarHBondContact O-N 3.28Å; T1470-G1473 PolarHBondContact O-N 3.04Å; I1471-G1473 PolarHBondContact O-N 2.97Å; G1473-A1475 PolarHBondContact O-N 2.84Å; G1473-I1476 PolarHBondContact O-N 3.19Å; G1473-R1477 PolarHBondContact O-N 3.34Å |
| 1474 | Y | 87.2 | Confident | 78.4 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -68.3 | -16.2 | -178.9 | -59.3 | -15.4 | 0 | 0 | 0 | 113.6 | V1380 L1381 I1471 A1472 I1476 P1479 V1492 | V1380-Y1474 HydrophobicContact CG1-CE2 4.17Å; L1381-Y1474 HydrophobicContact CD1-CE2 4.26Å; L1381-Y1474 HydrophobicContact CD2-CD2 4.17Å; L1381-Y1474 HydrophobicContact CD2-CE2 3.96Å; L1381-Y1474 HydrophobicContact CG-CE2 4.26Å; I1471-Y1474 HydrophobicContact CB-CD2 4.47Å; I1471-Y1474 HydrophobicContact CB-CE2 4.4Å; I1471-Y1474 HydrophobicContact CG1-CE2 4.09Å; I1471-Y1474 HydrophobicContact CG2-CD2 4.22Å; I1471-Y1474 HydrophobicContact CG2-CE2 4.48Å; I1471-Y1474 VanDerWaalsContact O-CB 3.23Å; I1471-Y1474 WeakPolarHBondContact O-CB 3.44Å; I1471-Y1474 PolarHBondContact O-N 2.79Å; A1472-Y1474 PolarHBondContact O-N 3.31Å; Y1474-I1476 PolarHBondContact O-N 2.98Å; Y1474-P1479 HydrophobicContact CE1-CG 4.06Å; Y1474-V1492 VanDerWaalsContact O-CG1 3.28Å; Y1474-V1492 WeakPolarHBondContact O-CG1 3.45Å |
| 1475 | A | 84.2 | Confident | 76.4 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -61.6 | -21.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1472 G1473 I1497 A1500 T1548 | A1472-A1475 PolarHBondContact O-N 3.5Å; G1473-A1475 PolarHBondContact O-N 2.84Å; A1475-I1497 HydrophobicContact CB-CG2 4.32Å; A1475-A1500 HydrophobicContact CB-CB 3.67Å; A1475-A1500 VanDerWaalsContact N-CB 3.29Å; A1475-T1548 HydrophobicContact CB-CG2 3.65Å |
| 1476 | I | 81.8 | Confident | 74.3 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -35.1 | -177 | -59.8 | 155.1 | 0 | 0 | 0 | 111.2 | G1473 Y1474 Q1535 P1536 L1539 | G1473-I1476 PolarHBondContact O-N 3.19Å; Y1474-I1476 PolarHBondContact O-N 2.98Å; I1476-Q1535 HydrophobicContact CD1-CB 3.66Å; I1476-P1536 HydrophobicContact CD1-CB 3.82Å; I1476-P1536 VanDerWaalsContact CD1-CD 3.44Å; I1476-P1536 HydrophobicContact CD1-CG 4.07Å; I1476-L1539 HydrophobicContact CG2-CD1 3.88Å |
| 1477 | R | 80 | Confident | 72.2 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 50% | 0.498 | 28% | 0.282 | S | S | . | . | trans | -144.8 | 109.4 | -174 | -176.5 | -175.4 | 177.7 | -172.2 | -0.7 | 111.8 | G1473 | G1473-R1477 PolarHBondContact O-N 3.34Š| ||
| 1478 | I | 80.7 | Confident | 70.4 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 131.4 | 167.5 | -55.8 | -175 | 0 | 0 | 0 | 109.3 | L1381 L1384 L1489 V1492 Y1496 | L1381-I1478 HydrophobicContact CD2-CG2 3.8Å; L1384-I1478 HydrophobicContact CD1-CD1 3.52Å; L1384-I1478 HydrophobicContact CD1-CG2 3.95Å; I1478-L1489 HydrophobicContact CB-CD1 3.99Å; I1478-L1489 HydrophobicContact CG2-CD1 3.93Å; I1478-V1492 HydrophobicContact CD1-CG1 4.04Å; I1478-V1492 HydrophobicContact CG1-CG1 4.27Å; I1478-Y1496 HydrophobicContact CD1-CD1 4.27Å; I1478-Y1496 HydrophobicContact CD1-CD2 4.31Å; I1478-Y1496 HydrophobicContact CD1-CG 3.91Å |
| 1479 | P | 71 | Confident | 68.6 | Low | 50 Ų | 50 | 64.6 Ų | 64.6 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 147.9 | 173.8 | 28.6 | -33.6 | 0 | 0 | 0 | 111.1 | L1381 Y1385 Y1474 | L1381-P1479 HydrophobicContact CD1-CG 3.69Å; Y1385-P1479 WeakPolarHBondContact CE1-O 3.39Å; Y1474-P1479 HydrophobicContact CE1-CG 4.06Å |
| 1480 | K | 67.1 | Low | 67 | Low | 55 Ų | 55 | 71.1 Ų | 71.1 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 155 | 172.1 | -76.2 | -161.4 | -176.7 | 171.2 | 0 | 111 | F1388 H1482 H1487 R1488 L1489 | F1388-K1480 HydrophobicContact CE1-CD 4.42Å; F1388-K1480 HydrophobicContact CE2-CD 4.08Å; F1388-K1480 HydrophobicContact CZ-CD 3.79Å; K1480-H1482 PolarHBondContact O-N 3.47Å; K1480-H1482 VanDerWaalsContact O-N 3.1Å; K1480-H1487 WeakPolarHBondContact CD-O 3.43Å; K1480-H1487 WeakPolarHBondContact CE-O 3.39Å; K1480-R1488 WeakPolarHBondContact CE-O 3.32Å; K1480-R1488 PolarHBondContact NZ-O 3.3Å; K1480-L1489 HydrophobicContact CG-CG 4.14Å |
| 1481 | P | 63.7 | Low | 66.1 | Low | 18 Ų | 18 | 73.4 Ų | 73.4 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -64.6 | -13.7 | 179.1 | 24.6 | -33.5 | 0 | 0 | 0 | 114 | Y1385 F1388 L1389 | Y1385-P1481 HydrophobicContact CD1-CB 3.91Å; Y1385-P1481 HydrophobicContact CD1-CG 4.01Å; Y1385-P1481 HydrophobicContact CD2-CB 3.92Å; Y1385-P1481 HydrophobicContact CE1-CB 4.1Å; Y1385-P1481 HydrophobicContact CE1-CG 4.37Å; Y1385-P1481 HydrophobicContact CE2-CB 4.1Å; Y1385-P1481 HydrophobicContact CG-CB 3.8Å; Y1385-P1481 HydrophobicContact CG-CG 4.23Å; F1388-P1481 HydrophobicContact CD1-CG 3.72Å; F1388-P1481 HydrophobicContact CE1-CG 4.24Å; L1389-P1481 HydrophobicContact CD2-CG 4.42Å; L1389-P1481 HydrophobicContact CG-CG 4.38Å |
| 1482 | H | 56.9 | Low | 65.3 | Low | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -112 | 130.9 | 176.4 | -59.6 | -24.6 | 0 | 0 | 0 | 110.3 | K1480 S1484 | K1480-H1482 PolarHBondContact O-N 3.47Å; K1480-H1482 VanDerWaalsContact O-N 3.1Å; H1482-S1484 PolarHBondContact O-N 2.94Å |
| 1483 | H | 49.5 | Very low | 65 | Low | 150 Ų | 150 | 75.6 Ų | 75.6 | 69% | 0.694 | 39% | 0.386 | S | S | * | . | trans | -74.1 | 32.5 | -177.7 | -102.2 | -62.7 | 0 | 0 | 0 | 113.8 | ||||
| 1484 | S | 42.5 | Very low | 64.7 | Low | 82 Ų | 82 | 77.9 Ų | 77.9 | 57% | 0.573 | 39% | 0.394 | S | S | * | . | trans | -88.7 | 102.8 | 171.4 | 48.9 | 0 | 0 | 0 | 0 | 110 | H1482 N1486 | H1482-S1484 PolarHBondContact O-N 2.94Å; S1484-N1486 PolarHBondContact O-N 3.04Å | ||
| 1485 | D | 45.2 | Very low | 64.5 | Low | 133 Ų | 133 | 77.7 Ų | 77.7 | 71% | 0.711 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -7.1 | -161 | -81.7 | -47 | 0 | 0 | 0 | 118.3 | ||
| 1486 | N | 43.4 | Very low | 64.6 | Low | 150 Ų | 150 | 77.9 Ų | 77.9 | 80% | 0.802 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 2.4 | -165 | -86.6 | -13.5 | 0 | 0 | 0 | 117.7 | S1484 | S1484-N1486 PolarHBondContact O-N 3.04Š|
| 1487 | H | 43.4 | Very low | 64.9 | Low | 142 Ų | 142 | 76.1 Ų | 76.1 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | trans | -123.6 | 117 | 173.9 | -71 | -62.2 | 0 | 0 | 0 | 113.1 | K1480 | K1480-H1487 WeakPolarHBondContact CD-O 3.43Å; K1480-H1487 WeakPolarHBondContact CE-O 3.39Å | ||
| 1488 | R | 49.5 | Very low | 65.3 | Low | 170 Ų | 170 | 71.5 Ų | 71.5 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | trans | -88.6 | 162.8 | 178.3 | -60.3 | 174.7 | -174.7 | 175.6 | 0.4 | 110.4 | K1480 | K1480-R1488 WeakPolarHBondContact CE-O 3.32Å; K1480-R1488 PolarHBondContact NZ-O 3.3Å | ||
| 1489 | L | 52.4 | Low | 65.7 | Low | 50 Ų | 50 | 71.2 Ų | 71.2 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | trans | -83.3 | 118.3 | 164.2 | -75.6 | 162 | 0 | 0 | 0 | 106.2 | F1388 I1478 K1480 V1491 | F1388-L1489 HydrophobicContact CD2-CD2 3.93Å; F1388-L1489 HydrophobicContact CE2-CD2 4.2Å; I1478-L1489 HydrophobicContact CB-CD1 3.99Å; I1478-L1489 HydrophobicContact CG2-CD1 3.93Å; K1480-L1489 HydrophobicContact CG-CG 4.14Å; L1489-V1491 PolarHBondContact O-N 3.41Å | ||
| 1490 | D | 57.3 | Low | 66.6 | Low | 156 Ų | 156 | 68.9 Ų | 68.9 | 83% | 0.834 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -75.8 | -14.1 | -169.6 | -61 | -39 | 0 | 0 | 0 | 113.4 | ||
| 1491 | V | 66.8 | Low | 67.8 | Low | 104 Ų | 104 | 67.4 Ų | 67.4 | 63% | 0.63 | 35% | 0.348 | S | S | * | . | trans | -130.7 | 124.9 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | L1489 | L1489-V1491 PolarHBondContact O-N 3.41Š| ||
| 1492 | V | 74.6 | Confident | 69.1 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | trans | -91.8 | 121.6 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | Y1474 I1478 I1497 | Y1474-V1492 VanDerWaalsContact O-CG1 3.28Å; Y1474-V1492 WeakPolarHBondContact O-CG1 3.45Å; I1478-V1492 HydrophobicContact CD1-CG1 4.04Å; I1478-V1492 HydrophobicContact CG1-CG1 4.27Å; V1492-I1497 HydrophobicContact CB-CD1 4.48Å; V1492-I1497 HydrophobicContact CB-CG1 4.3Å; V1492-I1497 HydrophobicContact CG1-CD1 4.31Å; V1492-I1497 HydrophobicContact CG1-CG1 3.62Å | ||
| 1493 | P | 81.1 | Confident | 70.7 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 25% | 0.253 | 35% | 0.347 | S | S | . | . | trans | -66.4 | 145.7 | 177.8 | -18.3 | 31.4 | 0 | 0 | 0 | 111.9 | L1384 N1495 Y1496 I1497 | L1384-P1493 HydrophobicContact CD2-CG 4.1Å; P1493-N1495 VanDerWaalsContact C-N 3.3Å; P1493-N1495 PolarHBondContact O-N 3.31Å; P1493-Y1496 HydrophobicContact CB-CD2 4.16Å; P1493-Y1496 HydrophobicContact CG-CD2 4.17Å; P1493-Y1496 PolarHBondContact O-N 3.17Å; P1493-I1497 PolarHBondContact O-N 2.86Å | ||
| 1494 | L | 80.8 | Confident | 72.7 | Confident | 65 Ų | 65 | 61 Ų | 61 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -34.2 | -168.6 | -169.8 | 60 | 0 | 0 | 0 | 112.7 | D1412 Y1496 I1497 V1498 | D1412-L1494 PolarHBondContact OD2-N 2.93Å; L1494-Y1496 VanDerWaalsContact C-N 3.34Å; L1494-Y1496 PolarHBondContact O-N 3.36Å; L1494-I1497 HydrophobicContact CD1-CB 4.46Å; L1494-I1497 HydrophobicContact CD1-CD1 4Å; L1494-I1497 WeakPolarHBondContact O-CB 3.32Å; L1494-I1497 PolarHBondContact O-N 3.32Å; L1494-I1497 VanDerWaalsContact O-N 3.14Å; L1494-V1498 PolarHBondContact O-N 3.06Å |
| 1495 | N | 83.1 | Confident | 75 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 175.3 | 63.2 | 32.7 | 0 | 0 | 0 | 113.2 | D1412 A1415 N1417 Q1420 P1493 I1497 V1498 F1499 | D1412-N1495 PolarHBondContact OD1-ND2 3.35Å; D1412-N1495 WeakPolarHBondContact OD2-CB 3.49Å; D1412-N1495 PolarHBondContact OD2-N 3.5Å; D1412-N1495 PolarHBondContact OD2-ND2 3.43Å; A1415-N1495 WeakPolarHBondContact O-CB 3.38Å; N1417-N1495 PolarHBondContact ND2-ND2 3.06Å; N1417-N1495 VanDerWaalsContact ND2-ND2 3.11Å; Q1420-N1495 PolarHBondContact NE2-OD1 3.42Å; Q1420-N1495 VanDerWaalsContact NE2-OD1 3.15Å; P1493-N1495 VanDerWaalsContact C-N 3.3Å; P1493-N1495 PolarHBondContact O-N 3.31Å; N1495-I1497 VanDerWaalsContact C-N 3.34Å; N1495-V1498 PolarHBondContact O-N 2.85Å; N1495-F1499 VanDerWaalsContact O-CB 3.31Å; N1495-F1499 WeakPolarHBondContact O-CB 3.27Å; N1495-F1499 PolarHBondContact O-N 2.94Å |
| 1496 | Y | 86.8 | Confident | 77.1 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -29.6 | 174.7 | -75.9 | -85.3 | 0 | 0 | 0 | 112 | V1380 L1381 L1384 I1478 P1493 L1494 A1500 | V1380-Y1496 HydrophobicContact CG2-CE1 4.45Å; V1380-Y1496 WeakPolarHBondContact O-CE1 3.33Å; V1380-Y1496 PolarHBondContact O-OH 2.93Å; L1381-Y1496 HydrophobicContact CD2-CE1 4.09Å; L1384-Y1496 HydrophobicContact CD1-CD1 4.28Å; L1384-Y1496 HydrophobicContact CD1-CD2 3.88Å; L1384-Y1496 HydrophobicContact CD1-CE1 3.89Å; L1384-Y1496 HydrophobicContact CD1-CE2 3.47Å; L1384-Y1496 VanDerWaalsContact CD1-CE2 3.47Å; L1384-Y1496 HydrophobicContact CD1-CG 4.29Å; L1384-Y1496 VanDerWaalsContact CD1-CZ 3.47Å; L1384-Y1496 HydrophobicContact CD2-CE2 3.98Å; L1384-Y1496 HydrophobicContact CG-CD2 4.45Å; L1384-Y1496 HydrophobicContact CG-CE2 3.66Å; I1478-Y1496 HydrophobicContact CD1-CD1 4.27Å; I1478-Y1496 HydrophobicContact CD1-CD2 4.31Å; I1478-Y1496 HydrophobicContact CD1-CG 3.91Å; P1493-Y1496 HydrophobicContact CB-CD2 4.16Å; P1493-Y1496 HydrophobicContact CG-CD2 4.17Å; P1493-Y1496 PolarHBondContact O-N 3.17Å; L1494-Y1496 VanDerWaalsContact C-N 3.34Å; L1494-Y1496 PolarHBondContact O-N 3.36Å; Y1496-A1500 WeakPolarHBondContact O-CB 3.41Å; Y1496-A1500 PolarHBondContact O-N 2.95Å |
| 1497 | I | 87.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -53.3 | 172.1 | -57.2 | 174.6 | 0 | 0 | 0 | 109.6 | A1475 V1492 P1493 L1494 N1495 F1499 A1500 E1501 P1544 T1548 | A1475-I1497 HydrophobicContact CB-CG2 4.32Å; V1492-I1497 HydrophobicContact CB-CD1 4.48Å; V1492-I1497 HydrophobicContact CB-CG1 4.3Å; V1492-I1497 HydrophobicContact CG1-CD1 4.31Å; V1492-I1497 HydrophobicContact CG1-CG1 3.62Å; P1493-I1497 PolarHBondContact O-N 2.86Å; L1494-I1497 HydrophobicContact CD1-CB 4.46Å; L1494-I1497 HydrophobicContact CD1-CD1 4Å; L1494-I1497 WeakPolarHBondContact O-CB 3.32Å; L1494-I1497 PolarHBondContact O-N 3.32Å; L1494-I1497 VanDerWaalsContact O-N 3.14Å; N1495-I1497 VanDerWaalsContact C-N 3.34Å; I1497-F1499 VanDerWaalsContact C-N 3.29Å; I1497-F1499 PolarHBondContact O-N 3.22Å; I1497-A1500 PolarHBondContact O-N 3.26Å; I1497-E1501 HydrophobicContact CG2-CG 4.39Å; I1497-E1501 WeakPolarHBondContact CG2-OE1 3.05Å; I1497-E1501 WeakPolarHBondContact O-CB 3.3Å; I1497-E1501 WeakPolarHBondContact O-CG 3.47Å; I1497-E1501 PolarHBondContact O-N 2.85Å; I1497-P1544 HydrophobicContact CD1-CB 3.58Å; I1497-T1548 WeakPolarHBondContact CG2-OG1 3.2Å |
| 1498 | V | 88.2 | Confident | 81.5 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | 179.7 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | G1414 L1416 L1494 N1495 K1502 | G1414-V1498 WeakPolarHBondContact O-CG2 3.32Å; L1416-V1498 HydrophobicContact CD2-CB 4.26Å; L1416-V1498 HydrophobicContact CD2-CG1 4.01Å; L1416-V1498 HydrophobicContact CG-CG1 4.29Å; L1494-V1498 PolarHBondContact O-N 3.06Å; N1495-V1498 PolarHBondContact O-N 2.85Å; V1498-K1502 PolarHBondContact O-N 2.82Å |
| 1499 | F | 89.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 174.2 | 175.7 | -117 | 0 | 0 | 0 | 112.6 | V1380 L1416 Q1420 V1423 L1424 I1471 N1495 I1497 K1502 S1503 | V1380-F1499 HydrophobicContact CB-CE1 4.47Å; V1380-F1499 HydrophobicContact CG1-CE1 4.21Å; V1380-F1499 HydrophobicContact CG2-CD1 4.3Å; V1380-F1499 HydrophobicContact CG2-CE1 3.66Å; V1380-F1499 HydrophobicContact CG2-CZ 3.9Å; L1416-F1499 VanDerWaalsContact CD2-CA 3.48Å; L1416-F1499 HydrophobicContact CD2-CB 3.62Å; L1416-F1499 HydrophobicContact CD2-CD2 4.45Å; Q1420-F1499 HydrophobicContact CB-CB 4.27Å; Q1420-F1499 HydrophobicContact CB-CD2 3.68Å; Q1420-F1499 HydrophobicContact CB-CE2 4.19Å; Q1420-F1499 HydrophobicContact CB-CG 3.97Å; Q1420-F1499 HydrophobicContact CG-CB 4.21Å; Q1420-F1499 HydrophobicContact CG-CD1 4.32Å; Q1420-F1499 HydrophobicContact CG-CD2 4.19Å; Q1420-F1499 HydrophobicContact CG-CG 3.98Å; Q1420-F1499 VanDerWaalsContact O-CE2 3.25Å; Q1420-F1499 WeakPolarHBondContact O-CE2 3.32Å; V1423-F1499 HydrophobicContact CB-CE2 4.5Å; V1423-F1499 HydrophobicContact CB-CZ 4.34Å; V1423-F1499 HydrophobicContact CG1-CE2 4.28Å; V1423-F1499 HydrophobicContact CG1-CZ 3.75Å; L1424-F1499 HydrophobicContact CB-CE2 4.22Å; L1424-F1499 HydrophobicContact CD1-CD2 4.47Å; L1424-F1499 HydrophobicContact CD1-CE2 4.13Å; I1471-F1499 HydrophobicContact CG2-CD1 3.88Å; I1471-F1499 HydrophobicContact CG2-CE1 3.27Å; I1471-F1499 HydrophobicContact CG2-CZ 3.76Å; N1495-F1499 VanDerWaalsContact O-CB 3.31Å; N1495-F1499 WeakPolarHBondContact O-CB 3.27Å; N1495-F1499 PolarHBondContact O-N 2.94Å; I1497-F1499 VanDerWaalsContact C-N 3.29Å; I1497-F1499 PolarHBondContact O-N 3.22Å; F1499-K1502 PolarHBondContact O-N 3.48Å; F1499-S1503 WeakPolarHBondContact O-CB 3.36Å; F1499-S1503 PolarHBondContact O-N 3.26Å; F1499-S1503 PolarHBondContact O-OG 3.3Å |
| 1500 | A | 90.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1471 A1475 Y1496 I1497 S1503 L1504 | I1471-A1500 WeakPolarHBondContact O-CB 3.23Å; A1475-A1500 HydrophobicContact CB-CB 3.67Å; A1475-A1500 VanDerWaalsContact N-CB 3.29Å; Y1496-A1500 WeakPolarHBondContact O-CB 3.41Å; Y1496-A1500 PolarHBondContact O-N 2.95Å; I1497-A1500 PolarHBondContact O-N 3.26Å; A1500-S1503 PolarHBondContact O-N 3.47Å; A1500-L1504 WeakPolarHBondContact O-CB 3.4Å; A1500-L1504 PolarHBondContact O-N 3.01Å |
| 1501 | E | 91.5 | Very high | 86.2 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 172.8 | -77.7 | -177.5 | -166.2 | 0 | 0 | 112.4 | I1497 L1504 L1505 T1547 T1548 L1551 | I1497-E1501 HydrophobicContact CG2-CG 4.39Å; I1497-E1501 WeakPolarHBondContact CG2-OE1 3.05Å; I1497-E1501 WeakPolarHBondContact O-CB 3.3Å; I1497-E1501 WeakPolarHBondContact O-CG 3.47Å; I1497-E1501 PolarHBondContact O-N 2.85Å; E1501-L1504 WeakPolarHBondContact O-CB 3.45Å; E1501-L1504 PolarHBondContact O-N 2.94Å; E1501-L1505 PolarHBondContact O-N 3.12Å; E1501-T1547 WeakPolarHBondContact OE1-CB 3.37Å; E1501-T1547 PolarHBondContact OE1-OG1 3.44Å; E1501-T1547 PolarHBondContact OE2-OG1 3.46Å; E1501-T1548 HydrophobicContact CG-CG2 4.24Å; E1501-T1548 WeakPolarHBondContact OE1-CA 3.49Å; E1501-T1548 VanDerWaalsContact OE1-CB 3.3Å; E1501-T1548 WeakPolarHBondContact OE1-CB 3.48Å; E1501-T1548 PolarHBondContact OE1-N 3.27Å; E1501-T1548 PolarHBondContact OE1-OG1 2.98Å; E1501-L1551 HydrophobicContact CB-CD2 3.54Å; E1501-L1551 HydrophobicContact CG-CD2 3.76Å |
| 1502 | K | 90 | Very high | 87 | Confident | 89 Ų | 89 | 27 Ų | 27 | 39% | 0.387 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 173.5 | -69.6 | -165 | -165.3 | 175.7 | 0 | 112.2 | L1416 L1424 V1498 F1499 L1504 L1505 I1506 | L1416-K1502 HydrophobicContact CD1-CD 3.92Å; L1416-K1502 VanDerWaalsContact CD1-NZ 3.3Å; L1424-K1502 HydrophobicContact CD1-CB 4.48Å; L1424-K1502 HydrophobicContact CD2-CB 4.13Å; L1424-K1502 HydrophobicContact CD2-CD 3.92Å; V1498-K1502 PolarHBondContact O-N 2.82Å; F1499-K1502 PolarHBondContact O-N 3.48Å; K1502-L1504 VanDerWaalsContact C-N 3.32Å; K1502-L1504 PolarHBondContact O-N 2.92Å; K1502-L1505 PolarHBondContact O-N 3.49Å; K1502-I1506 WeakPolarHBondContact O-CG1 3.5Å; K1502-I1506 PolarHBondContact O-N 3.19Å |
| 1503 | S | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | I1471 F1499 A1500 I1506 A1507 | I1471-S1503 WeakPolarHBondContact CG2-OG 3.21Å; F1499-S1503 WeakPolarHBondContact O-CB 3.36Å; F1499-S1503 PolarHBondContact O-N 3.26Å; F1499-S1503 PolarHBondContact O-OG 3.3Å; A1500-S1503 PolarHBondContact O-N 3.47Å; S1503-I1506 PolarHBondContact O-N 3.29Å; S1503-A1507 WeakPolarHBondContact O-CB 3.45Å; S1503-A1507 PolarHBondContact O-N 2.91Å |
| 1504 | L | 91.3 | Very high | 87.4 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 172.5 | -178.7 | 63.1 | 0 | 0 | 0 | 111.9 | A1472 A1500 E1501 K1502 A1507 V1508 T1532 L1533 | A1472-L1504 HydrophobicContact CB-CB 3.85Å; A1472-L1504 HydrophobicContact CB-CD1 4.12Å; A1500-L1504 WeakPolarHBondContact O-CB 3.4Å; A1500-L1504 PolarHBondContact O-N 3.01Å; E1501-L1504 WeakPolarHBondContact O-CB 3.45Å; E1501-L1504 PolarHBondContact O-N 2.94Å; K1502-L1504 VanDerWaalsContact C-N 3.32Å; K1502-L1504 PolarHBondContact O-N 2.92Å; L1504-A1507 WeakPolarHBondContact O-CB 3.47Å; L1504-A1507 PolarHBondContact O-N 3.36Å; L1504-V1508 HydrophobicContact CD1-CG2 4.34Å; L1504-V1508 WeakPolarHBondContact O-CG2 3.49Å; L1504-V1508 PolarHBondContact O-N 2.88Å; L1504-T1532 HydrophobicContact CD1-CG2 4.29Å; L1504-L1533 HydrophobicContact CD1-CD2 3.96Å; L1504-L1533 HydrophobicContact CD2-CD2 3.84Å; L1504-L1533 HydrophobicContact CG-CD2 4.33Å |
| 1505 | L | 91.9 | Very high | 87.2 | Confident | 67 Ų | 67 | 26.4 Ų | 26.4 | 35% | 0.351 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.3 | -84 | 168.3 | 0 | 0 | 0 | 112 | E1501 K1502 A1507 V1508 D1509 L1551 | E1501-L1505 PolarHBondContact O-N 3.12Å; K1502-L1505 PolarHBondContact O-N 3.49Å; L1505-A1507 VanDerWaalsContact C-N 3.34Å; L1505-A1507 PolarHBondContact O-N 3.39Å; L1505-V1508 PolarHBondContact O-N 3.5Å; L1505-D1509 WeakPolarHBondContact O-CB 3.32Å; L1505-D1509 PolarHBondContact O-N 3.5Å; L1505-L1551 HydrophobicContact CD1-CD1 4.06Å; L1505-L1551 HydrophobicContact CD1-CD2 4.28Å; L1505-L1551 HydrophobicContact CD2-CD1 3.88Å; L1505-L1551 HydrophobicContact CG-CD1 3.96Å; L1505-L1551 HydrophobicContact CG-CD2 4.23Å |
| 1506 | I | 89.3 | Confident | 86.6 | Confident | 27 Ų | 27 | 31.2 Ų | 31.2 | 14% | 0.138 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 176.1 | -61.8 | 158.1 | 0 | 0 | 0 | 110.6 | L1424 N1428 V1431 L1468 K1502 S1503 V1508 L1510 | L1424-I1506 HydrophobicContact CD1-CD1 3.5Å; L1424-I1506 VanDerWaalsContact CD1-CD1 3.5Å; L1424-I1506 HydrophobicContact CG-CD1 4.04Å; N1428-I1506 WeakPolarHBondContact OD1-CD1 3.2Å; V1431-I1506 HydrophobicContact CG2-CG2 4.15Å; L1468-I1506 HydrophobicContact CD1-CB 4.5Å; L1468-I1506 HydrophobicContact CD1-CG2 3.81Å; L1468-I1506 HydrophobicContact CD2-CB 4.26Å; L1468-I1506 HydrophobicContact CD2-CG2 4.1Å; K1502-I1506 WeakPolarHBondContact O-CG1 3.5Å; K1502-I1506 PolarHBondContact O-N 3.19Å; S1503-I1506 PolarHBondContact O-N 3.29Å; I1506-V1508 PolarHBondContact O-N 2.71Å; I1506-L1510 WeakPolarHBondContact O-CB 3.43Å; I1506-L1510 PolarHBondContact O-N 3.06Å |
| 1507 | A | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1465 L1468 L1469 S1503 L1504 L1505 Y1511 | L1465-A1507 HydrophobicContact CD1-CB 3.75Å; L1465-A1507 WeakPolarHBondContact CD1-O 3.5Å; L1468-A1507 HydrophobicContact CB-CB 3.93Å; L1469-A1507 HydrophobicContact CD2-CB 4.02Å; L1469-A1507 HydrophobicContact CG-CB 4.34Å; S1503-A1507 WeakPolarHBondContact O-CB 3.45Å; S1503-A1507 PolarHBondContact O-N 2.91Å; L1504-A1507 WeakPolarHBondContact O-CB 3.47Å; L1504-A1507 PolarHBondContact O-N 3.36Å; L1505-A1507 VanDerWaalsContact C-N 3.34Å; L1505-A1507 PolarHBondContact O-N 3.39Å; A1507-Y1511 WeakPolarHBondContact O-CB 3.46Å; A1507-Y1511 PolarHBondContact O-N 2.95Å |
| 1508 | V | 89 | Confident | 84.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73 | -42.3 | -179.7 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L1504 L1505 I1506 Y1511 Q1512 C1555 Q1558 V1559 | L1504-V1508 HydrophobicContact CD1-CG2 4.34Å; L1504-V1508 WeakPolarHBondContact O-CG2 3.49Å; L1504-V1508 PolarHBondContact O-N 2.88Å; L1505-V1508 PolarHBondContact O-N 3.5Å; I1506-V1508 PolarHBondContact O-N 2.71Å; V1508-Y1511 PolarHBondContact O-N 3.18Å; V1508-Q1512 HydrophobicContact CG1-CG 4.42Å; V1508-Q1512 WeakPolarHBondContact O-CG 3.39Å; V1508-Q1512 PolarHBondContact O-N 3.32Å; V1508-C1555 HydrophobicContact CG2-CB 3.99Å; V1508-Q1558 HydrophobicContact CG1-CB 4.31Å; V1508-V1559 HydrophobicContact CB-CG2 4.41Å; V1508-V1559 HydrophobicContact CG1-CG2 3.81Å; V1508-V1559 HydrophobicContact CG2-CG2 3.88Å |
| 1509 | D | 85.4 | Confident | 83.9 | Confident | 103 Ų | 103 | 40 Ų | 40 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.3 | -43.7 | 176.4 | -170.6 | 59.2 | 0 | 0 | 0 | 111.8 | L1505 Y1511 Q1512 T1513 | L1505-D1509 WeakPolarHBondContact O-CB 3.32Å; L1505-D1509 PolarHBondContact O-N 3.5Å; D1509-Y1511 PolarHBondContact O-N 3.3Å; D1509-Q1512 PolarHBondContact O-N 3.33Å; D1509-T1513 WeakPolarHBondContact O-CB 3.37Å; D1509-T1513 WeakPolarHBondContact O-CG2 3.23Å; D1509-T1513 PolarHBondContact O-N 2.98Å; D1509-T1513 PolarHBondContact O-OG1 3.28Å |
| 1510 | L | 85.7 | Confident | 83.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 170.3 | -170.5 | 164.4 | 0 | 0 | 0 | 110.5 | V1431 L1461 V1464 L1465 L1468 I1506 T1513 T1514 M1520 | V1431-L1510 HydrophobicContact CB-CD1 4.47Å; V1431-L1510 HydrophobicContact CG1-CD1 3.96Å; V1431-L1510 HydrophobicContact CG1-CG 4.47Å; V1431-L1510 HydrophobicContact CG2-CD1 3.76Å; L1461-L1510 HydrophobicContact CD1-CD1 3.98Å; L1461-L1510 HydrophobicContact CD1-CD2 4.16Å; L1461-L1510 HydrophobicContact CD1-CG 4.27Å; L1461-L1510 HydrophobicContact CG-CD2 4.34Å; V1464-L1510 HydrophobicContact CG1-CD1 4.41Å; L1465-L1510 HydrophobicContact CB-CD2 4.25Å; L1465-L1510 HydrophobicContact CD1-CD2 4.35Å; L1465-L1510 HydrophobicContact CD2-CD2 4.38Å; L1468-L1510 HydrophobicContact CD1-CD1 4.14Å; I1506-L1510 WeakPolarHBondContact O-CB 3.43Å; I1506-L1510 PolarHBondContact O-N 3.06Å; L1510-T1513 PolarHBondContact O-OG1 2.84Å; L1510-T1514 WeakPolarHBondContact O-CB 3.47Å; L1510-T1514 WeakPolarHBondContact O-CG2 3.29Å; L1510-T1514 PolarHBondContact O-N 3.05Å; L1510-T1514 VanDerWaalsContact O-N 3.12Å; L1510-T1514 PolarHBondContact O-OG1 2.85Å; L1510-M1520 HydrophobicContact CD2-SD 4.44Å |
| 1511 | Y | 86.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -45 | 177.5 | -176.6 | -109.2 | 0 | 0 | 0 | 112.2 | A1507 V1508 D1509 T1513 T1514 V1515 I1525 L1526 I1529 V1559 | A1507-Y1511 WeakPolarHBondContact O-CB 3.46Å; A1507-Y1511 PolarHBondContact O-N 2.95Å; V1508-Y1511 PolarHBondContact O-N 3.18Å; D1509-Y1511 PolarHBondContact O-N 3.3Å; Y1511-T1513 PolarHBondContact O-N 2.89Å; Y1511-T1514 CarbonylContact O-C 3.5Å; Y1511-T1514 PolarHBondContact O-N 3.13Å; Y1511-V1515 HydrophobicContact CE1-CB 4.4Å; Y1511-V1515 HydrophobicContact CE1-CG2 3.97Å; Y1511-V1515 HydrophobicContact CE2-CB 4.4Å; Y1511-V1515 HydrophobicContact CE2-CG2 4.03Å; Y1511-V1515 WeakPolarHBondContact O-CA 3.48Å; Y1511-V1515 VanDerWaalsContact O-CB 3.3Å; Y1511-V1515 WeakPolarHBondContact O-CB 3.34Å; Y1511-V1515 PolarHBondContact O-N 3.17Å; Y1511-V1515 WeakPolarHBondContact OH-CG2 3.44Å; Y1511-I1525 HydrophobicContact CD2-CG2 3.74Å; Y1511-I1525 HydrophobicContact CE2-CG2 3.64Å; Y1511-L1526 HydrophobicContact CE1-CD1 4.17Å; Y1511-I1529 HydrophobicContact CD1-CD1 3.76Å; Y1511-I1529 HydrophobicContact CD2-CD1 3.56Å; Y1511-I1529 HydrophobicContact CE1-CD1 4.17Å; Y1511-I1529 HydrophobicContact CE2-CD1 3.99Å; Y1511-I1529 HydrophobicContact CG-CD1 3.43Å; Y1511-I1529 VanDerWaalsContact CG-CD1 3.43Å; Y1511-V1559 HydrophobicContact CD1-CG1 4.41Å; Y1511-V1559 HydrophobicContact CE1-CG1 4.18Å |
| 1512 | Q | 84.3 | Confident | 81.4 | Confident | 67 Ų | 67 | 43 Ų | 43 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 180 | -74 | -162.3 | -52.6 | 0 | 0 | 112.6 | V1508 D1509 T1514 Q1558 A1562 | V1508-Q1512 HydrophobicContact CG1-CG 4.42Å; V1508-Q1512 WeakPolarHBondContact O-CG 3.39Å; V1508-Q1512 PolarHBondContact O-N 3.32Å; D1509-Q1512 PolarHBondContact O-N 3.33Å; Q1512-T1514 VanDerWaalsContact C-N 3.31Å; Q1512-T1514 PolarHBondContact O-N 2.81Å; Q1512-Q1558 PolarHBondContact NE2-O 3.28Å; Q1512-A1562 HydrophobicContact CG-CB 4.37Å |
| 1513 | T | 81.2 | Confident | 80.8 | Confident | 89 Ų | 89 | 41.2 Ų | 41.2 | 55% | 0.546 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71 | -23.5 | 178 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | D1509 L1510 Y1511 | D1509-T1513 WeakPolarHBondContact O-CB 3.37Å; D1509-T1513 WeakPolarHBondContact O-CG2 3.23Å; D1509-T1513 PolarHBondContact O-N 2.98Å; D1509-T1513 PolarHBondContact O-OG1 3.28Å; L1510-T1513 PolarHBondContact O-OG1 2.84Å; Y1511-T1513 PolarHBondContact O-N 2.89Å |
| 1514 | T | 81.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -118.3 | -0.4 | -173.4 | 65.3 | 0 | 0 | 0 | 0 | 115 | L1461 L1510 Y1511 Q1512 T1516 W1517 M1520 | L1461-T1514 HydrophobicContact CD2-CG2 4.23Å; L1510-T1514 WeakPolarHBondContact O-CB 3.47Å; L1510-T1514 WeakPolarHBondContact O-CG2 3.29Å; L1510-T1514 PolarHBondContact O-N 3.05Å; L1510-T1514 VanDerWaalsContact O-N 3.12Å; L1510-T1514 PolarHBondContact O-OG1 2.85Å; Y1511-T1514 CarbonylContact O-C 3.5Å; Y1511-T1514 PolarHBondContact O-N 3.13Å; Q1512-T1514 VanDerWaalsContact C-N 3.31Å; Q1512-T1514 PolarHBondContact O-N 2.81Å; T1514-T1516 PolarHBondContact O-N 2.75Å; T1514-W1517 HydrophobicContact CG2-CD2 4.04Å; T1514-W1517 HydrophobicContact CG2-CE3 4.01Å; T1514-W1517 HydrophobicContact CG2-CH2 4.12Å; T1514-W1517 HydrophobicContact CG2-CZ2 4.11Å; T1514-W1517 HydrophobicContact CG2-CZ3 4.06Å; T1514-W1517 WeakPolarHBondContact O-CB 3.47Å; T1514-W1517 PolarHBondContact O-N 2.94Å; T1514-M1520 VanDerWaalsContact O-CB 3.27Å; T1514-M1520 WeakPolarHBondContact O-CB 3.46Å; T1514-M1520 WeakPolarHBondContact OG1-CG 3.34Å |
| 1515 | V | 76.6 | Confident | 79.9 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -26.1 | -176.6 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | Y1511 W1517 C1521 | Y1511-V1515 HydrophobicContact CE1-CB 4.4Å; Y1511-V1515 HydrophobicContact CE1-CG2 3.97Å; Y1511-V1515 HydrophobicContact CE2-CB 4.4Å; Y1511-V1515 HydrophobicContact CE2-CG2 4.03Å; Y1511-V1515 WeakPolarHBondContact O-CA 3.48Å; Y1511-V1515 VanDerWaalsContact O-CB 3.3Å; Y1511-V1515 WeakPolarHBondContact O-CB 3.34Å; Y1511-V1515 PolarHBondContact O-N 3.17Å; Y1511-V1515 WeakPolarHBondContact OH-CG2 3.44Å; V1515-W1517 VanDerWaalsContact C-N 3.3Å; V1515-C1521 WeakPolarHBondContact O-CB 3.42Å |
| 1516 | T | 71.7 | Confident | 79.5 | Confident | 109 Ų | 109 | 40.5 Ų | 40.5 | 67% | 0.669 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15.6 | 175.8 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | T1514 | T1514-T1516 PolarHBondContact O-N 2.75Š|
| 1517 | W | 72.5 | Confident | 79.4 | Confident | 53 Ų | 53 | 39.5 Ų | 39.5 | 20% | 0.201 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -76.8 | 137.3 | -177 | -61.4 | 9.7 | 0 | 0 | 0 | 109.9 | G1435 Q1438 L1461 T1514 V1515 E1519 M1520 C1521 | G1435-W1517 WeakPolarHBondContact O-CH2 3.43Å; Q1438-W1517 HydrophobicContact CB-CH2 4.48Å; Q1438-W1517 HydrophobicContact CB-CZ2 3.88Å; Q1438-W1517 HydrophobicContact CG-CH2 4.09Å; Q1438-W1517 HydrophobicContact CG-CZ2 3.7Å; L1461-W1517 HydrophobicContact CD2-CE3 3.92Å; L1461-W1517 HydrophobicContact CD2-CZ3 3.61Å; T1514-W1517 HydrophobicContact CG2-CD2 4.04Å; T1514-W1517 HydrophobicContact CG2-CE3 4.01Å; T1514-W1517 HydrophobicContact CG2-CH2 4.12Å; T1514-W1517 HydrophobicContact CG2-CZ2 4.11Å; T1514-W1517 HydrophobicContact CG2-CZ3 4.06Å; T1514-W1517 WeakPolarHBondContact O-CB 3.47Å; T1514-W1517 PolarHBondContact O-N 2.94Å; V1515-W1517 VanDerWaalsContact C-N 3.3Å; W1517-E1519 PolarHBondContact O-N 3.16Å; W1517-M1520 PolarHBondContact O-N 2.95Å; W1517-C1521 WeakPolarHBondContact O-CB 3.32Å; W1517-C1521 PolarHBondContact O-N 2.94Å |
| 1518 | P | 63.6 | Low | 79.2 | Confident | 122 Ų | 122 | 41.4 Ų | 41.4 | 79% | 0.792 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.1 | -173.7 | -27.2 | 34.8 | 0 | 0 | 0 | 115.2 | ||
| 1519 | E | 69.1 | Low | 79.2 | Confident | 54 Ų | 54 | 41.3 Ų | 41.3 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -26.6 | -177.2 | -64.5 | 167.7 | -178.9 | 0 | 0 | 112.4 | S1458 W1517 I1525 | S1458-E1519 VanDerWaalsContact CA-OE2 3.26Å; S1458-E1519 WeakPolarHBondContact CA-OE2 3.38Å; S1458-E1519 WeakPolarHBondContact CB-OE1 3.38Å; S1458-E1519 WeakPolarHBondContact CB-OE2 3.33Å; W1517-E1519 PolarHBondContact O-N 3.16Å; E1519-I1525 WeakPolarHBondContact O-CD1 3.45Å |
| 1520 | M | 75.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -25.2 | 179.3 | -68.9 | -68.3 | 104.4 | 0 | 0 | 112.7 | P1462 L1465 L1510 T1514 W1517 S1522 I1525 | P1462-M1520 VanDerWaalsContact CA-CE 3.5Å; P1462-M1520 HydrophobicContact CB-CE 3.6Å; P1462-M1520 HydrophobicContact CG-CE 3.48Å; P1462-M1520 VanDerWaalsContact CG-CE 3.48Å; L1465-M1520 HydrophobicContact CD2-SD 3.86Å; L1510-M1520 HydrophobicContact CD2-SD 4.44Å; T1514-M1520 VanDerWaalsContact O-CB 3.27Å; T1514-M1520 WeakPolarHBondContact O-CB 3.46Å; T1514-M1520 WeakPolarHBondContact OG1-CG 3.34Å; W1517-M1520 PolarHBondContact O-N 2.95Å; M1520-S1522 PolarHBondContact O-N 2.9Å; M1520-I1525 HydrophobicContact CE-CD1 3.65Å; M1520-I1525 HydrophobicContact SD-CD1 3.99Å |
| 1521 | C | 68.2 | Low | 79.6 | Confident | 52 Ų | 52 | 40.2 Ų | 40.2 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | trans | -72.4 | 51.9 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 113 | V1515 W1517 | V1515-C1521 WeakPolarHBondContact O-CB 3.42Å; W1517-C1521 WeakPolarHBondContact O-CB 3.32Å; W1517-C1521 PolarHBondContact O-N 2.94Å | ||
| 1522 | S | 74.8 | Confident | 79.7 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | trans | -115.9 | 144.4 | 176.9 | 75.3 | 0 | 0 | 0 | 0 | 112.3 | M1520 E1524 I1525 L1526 | M1520-S1522 PolarHBondContact O-N 2.9Å; S1522-E1524 PolarHBondContact O-N 3.41Å; S1522-I1525 PolarHBondContact O-N 2.93Å; S1522-I1525 WeakPolarHBondContact OG-CD1 3.23Å; S1522-I1525 VanDerWaalsContact OG-CG1 3.24Å; S1522-I1525 WeakPolarHBondContact OG-CG1 3.24Å; S1522-I1525 PolarHBondContact OG-N 2.61Å; S1522-L1526 PolarHBondContact O-N 3.38Å | ||
| 1523 | I | 78 | Confident | 80 | Confident | 53 Ų | 53 | 38.4 Ų | 38.4 | 27% | 0.272 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -35 | 176.2 | -63.4 | 171.4 | 0 | 0 | 0 | 110.4 | I1525 L1526 D1527 V1566 L1599 | I1523-I1525 PolarHBondContact O-N 3.33Å; I1523-L1526 PolarHBondContact O-N 3.34Å; I1523-D1527 WeakPolarHBondContact O-CB 3.5Å; I1523-D1527 PolarHBondContact O-N 3.26Å; I1523-V1566 HydrophobicContact CG1-CG1 3.85Å; I1523-L1599 HydrophobicContact CG2-CD2 4.4Å |
| 1524 | E | 79.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65 | -37.3 | -179.9 | -64.4 | -176.6 | -152.6 | 0 | 0 | 112.9 | S1522 S1528 F1580 | S1522-E1524 PolarHBondContact O-N 3.41Å; E1524-S1528 VanDerWaalsContact O-CB 3.27Å; E1524-S1528 WeakPolarHBondContact O-CB 3.09Å; E1524-S1528 PolarHBondContact O-N 3.03Å; E1524-S1528 PolarHBondContact O-OG 3.13Å; E1524-F1580 HydrophobicContact CB-CD2 4.18Å |
| 1525 | I | 83 | Confident | 80.9 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -49.8 | 174.4 | -70.6 | 168 | 0 | 0 | 0 | 110 | L1465 Y1511 E1519 M1520 S1522 I1523 D1527 S1528 I1529 F1580 | L1465-I1525 HydrophobicContact CD2-CG2 3.62Å; Y1511-I1525 HydrophobicContact CD2-CG2 3.74Å; Y1511-I1525 HydrophobicContact CE2-CG2 3.64Å; E1519-I1525 WeakPolarHBondContact O-CD1 3.45Å; M1520-I1525 HydrophobicContact CE-CD1 3.65Å; M1520-I1525 HydrophobicContact SD-CD1 3.99Å; S1522-I1525 PolarHBondContact O-N 2.93Å; S1522-I1525 WeakPolarHBondContact OG-CD1 3.23Å; S1522-I1525 VanDerWaalsContact OG-CG1 3.24Å; S1522-I1525 WeakPolarHBondContact OG-CG1 3.24Å; S1522-I1525 PolarHBondContact OG-N 2.61Å; I1523-I1525 PolarHBondContact O-N 3.33Å; I1525-D1527 PolarHBondContact O-N 3.48Å; I1525-S1528 WeakPolarHBondContact O-CB 3.44Å; I1525-S1528 PolarHBondContact O-N 3.05Å; I1525-I1529 HydrophobicContact CG2-CD1 3.79Å; I1525-I1529 HydrophobicContact CG2-CG1 4.47Å; I1525-I1529 WeakPolarHBondContact O-CG1 3.19Å; I1525-I1529 PolarHBondContact O-N 3.08Å; I1525-F1580 HydrophobicContact CD1-CE2 4.08Å; I1525-F1580 HydrophobicContact CD1-CZ 3.75Å; I1525-F1580 HydrophobicContact CG1-CE1 4.24Å; I1525-F1580 HydrophobicContact CG1-CE2 3.55Å; I1525-F1580 HydrophobicContact CG1-CZ 3.3Å |
| 1526 | L | 84.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | -179.7 | -178.4 | 55.1 | 0 | 0 | 0 | 111.7 | Y1511 S1522 I1523 S1528 I1529 I1530 V1559 V1566 L1599 | Y1511-L1526 HydrophobicContact CE1-CD1 4.17Å; S1522-L1526 PolarHBondContact O-N 3.38Å; I1523-L1526 PolarHBondContact O-N 3.34Å; L1526-S1528 VanDerWaalsContact C-N 3.34Å; L1526-S1528 PolarHBondContact O-N 3.41Å; L1526-I1529 PolarHBondContact O-N 2.81Å; L1526-I1530 HydrophobicContact CD1-CG1 4.14Å; L1526-I1530 WeakPolarHBondContact O-CB 3.48Å; L1526-I1530 VanDerWaalsContact O-CG1 3.28Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.09Å; L1526-I1530 PolarHBondContact O-N 3.45Å; L1526-V1559 HydrophobicContact CD1-CG1 3.51Å; L1526-V1566 HydrophobicContact CD2-CB 3.82Å; L1526-V1566 HydrophobicContact CD2-CG1 4Å; L1526-V1566 HydrophobicContact CD2-CG2 4.32Å; L1526-L1599 HydrophobicContact CD2-CD2 3.78Å; L1526-L1599 HydrophobicContact CG-CD1 4.25Å; L1526-L1599 HydrophobicContact CG-CD2 4.13Å |
| 1527 | D | 86.4 | Confident | 82.3 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 175.5 | -178.6 | 58.6 | 0 | 0 | 0 | 112.1 | I1523 I1525 I1530 K1531 L1599 H1602 | I1523-D1527 WeakPolarHBondContact O-CB 3.5Å; I1523-D1527 PolarHBondContact O-N 3.26Å; I1525-D1527 PolarHBondContact O-N 3.48Å; D1527-I1530 PolarHBondContact O-N 3.01Å; D1527-K1531 WeakPolarHBondContact O-CB 3.39Å; D1527-K1531 WeakPolarHBondContact O-CD 3.42Å; D1527-K1531 VanDerWaalsContact O-CG 3.23Å; D1527-K1531 WeakPolarHBondContact O-CG 3.46Å; D1527-K1531 PolarHBondContact O-N 3.37Å; D1527-K1531 WeakPolarHBondContact OD1-CE 3.28Å; D1527-K1531 IonicContact OD1-NZ 2.67Å; D1527-K1531 WeakPolarHBondContact OD2-CE 3.13Å; D1527-K1531 IonicContact OD2-NZ 2.73Å; D1527-K1531 PolarHBondContact OD2-NZ 3.35Å; D1527-L1599 HydrophobicContact CB-CD1 4.26Å; D1527-H1602 IonicContact OD1-CE1 2.84Å; D1527-H1602 PolarHBondContact OD1-CE1 2.71Å; D1527-H1602 IonicContact OD1-CG 3.07Å; D1527-H1602 IonicContact OD1-ND1 3.65Å; D1527-H1602 PolarHBondContact OD1-ND1 3.4Å |
| 1528 | S | 85.1 | Confident | 82.9 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65 | -42.4 | 173.6 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | E1524 I1525 L1526 T1532 | E1524-S1528 VanDerWaalsContact O-CB 3.27Å; E1524-S1528 WeakPolarHBondContact O-CB 3.09Å; E1524-S1528 PolarHBondContact O-N 3.03Å; E1524-S1528 PolarHBondContact O-OG 3.13Å; I1525-S1528 WeakPolarHBondContact O-CB 3.44Å; I1525-S1528 PolarHBondContact O-N 3.05Å; L1526-S1528 VanDerWaalsContact C-N 3.34Å; L1526-S1528 PolarHBondContact O-N 3.41Å; S1528-T1532 PolarHBondContact O-N 2.92Å; S1528-T1532 VanDerWaalsContact O-N 3.13Å; S1528-T1532 PolarHBondContact O-OG1 2.83Å; S1528-T1532 VanDerWaalsContact O-OG1 3.14Å |
| 1529 | I | 89.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 175.7 | -62.7 | 163.1 | 0 | 0 | 0 | 110.2 | L1469 Y1511 I1525 L1526 K1531 T1532 L1533 V1559 | L1469-I1529 HydrophobicContact CD1-CG1 3.86Å; L1469-I1529 HydrophobicContact CD2-CG1 4.06Å; Y1511-I1529 HydrophobicContact CD1-CD1 3.76Å; Y1511-I1529 HydrophobicContact CD2-CD1 3.56Å; Y1511-I1529 HydrophobicContact CE1-CD1 4.17Å; Y1511-I1529 HydrophobicContact CE2-CD1 3.99Å; Y1511-I1529 HydrophobicContact CG-CD1 3.43Å; Y1511-I1529 VanDerWaalsContact CG-CD1 3.43Å; I1525-I1529 HydrophobicContact CG2-CD1 3.79Å; I1525-I1529 HydrophobicContact CG2-CG1 4.47Å; I1525-I1529 WeakPolarHBondContact O-CG1 3.19Å; I1525-I1529 PolarHBondContact O-N 3.08Å; L1526-I1529 PolarHBondContact O-N 2.81Å; I1529-K1531 VanDerWaalsContact C-N 3.32Å; I1529-K1531 PolarHBondContact O-N 3.14Å; I1529-T1532 PolarHBondContact O-N 3.35Å; I1529-T1532 VanDerWaalsContact O-N 3.14Å; I1529-L1533 HydrophobicContact CG2-CD1 3.84Å; I1529-L1533 HydrophobicContact CG2-CG 4.32Å; I1529-L1533 WeakPolarHBondContact O-CG 3.42Å; I1529-L1533 PolarHBondContact O-N 3.42Å; I1529-V1559 HydrophobicContact CG2-CB 4.44Å; I1529-V1559 HydrophobicContact CG2-CG1 3.86Å; I1529-V1559 HydrophobicContact CG2-CG2 3.86Å |
| 1530 | I | 90.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 179.3 | -67.5 | -66.7 | 0 | 0 | 0 | 111.6 | L1526 D1527 L1533 H1534 F1556 V1559 I1560 L1599 H1602 I1603 | L1526-I1530 HydrophobicContact CD1-CG1 4.14Å; L1526-I1530 WeakPolarHBondContact O-CB 3.48Å; L1526-I1530 VanDerWaalsContact O-CG1 3.28Å; L1526-I1530 WeakPolarHBondContact O-CG1 3.09Å; L1526-I1530 PolarHBondContact O-N 3.45Å; D1527-I1530 PolarHBondContact O-N 3.01Å; I1530-L1533 PolarHBondContact O-N 2.9Å; I1530-H1534 WeakPolarHBondContact O-CB 3.5Å; I1530-H1534 PolarHBondContact O-N 3.13Å; I1530-F1556 HydrophobicContact CD1-CD2 3.86Å; I1530-F1556 HydrophobicContact CD1-CE2 3.89Å; I1530-V1559 HydrophobicContact CD1-CG1 4.22Å; I1530-I1560 HydrophobicContact CD1-CD1 4.25Å; I1530-I1560 HydrophobicContact CD1-CG1 3.89Å; I1530-L1599 HydrophobicContact CB-CD1 4.37Å; I1530-L1599 HydrophobicContact CG1-CD1 4.11Å; I1530-H1602 HydrophobicContact CG2-CB 4.01Å; I1530-I1603 HydrophobicContact CG2-CG1 4.28Å |
| 1531 | K | 89.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 30 Ų | 30 | 37% | 0.37 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.7 | -40 | 173.6 | -78.2 | 167 | 176.8 | 168.4 | 0 | 113 | D1527 I1529 L1533 H1602 | D1527-K1531 WeakPolarHBondContact O-CB 3.39Å; D1527-K1531 WeakPolarHBondContact O-CD 3.42Å; D1527-K1531 VanDerWaalsContact O-CG 3.23Å; D1527-K1531 WeakPolarHBondContact O-CG 3.46Å; D1527-K1531 PolarHBondContact O-N 3.37Å; D1527-K1531 WeakPolarHBondContact OD1-CE 3.28Å; D1527-K1531 IonicContact OD1-NZ 2.67Å; D1527-K1531 WeakPolarHBondContact OD2-CE 3.13Å; D1527-K1531 IonicContact OD2-NZ 2.73Å; D1527-K1531 PolarHBondContact OD2-NZ 3.35Å; I1529-K1531 VanDerWaalsContact C-N 3.32Å; I1529-K1531 PolarHBondContact O-N 3.14Å; K1531-L1533 VanDerWaalsContact C-N 3.33Å; K1531-H1602 WeakPolarHBondContact CE-CE1 3.28Å |
| 1532 | T | 88.8 | Confident | 85.5 | Confident | 28 Ų | 28 | 30.1 Ų | 30.1 | 17% | 0.172 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.7 | -33.5 | 174.8 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | L1469 A1472 L1504 S1528 I1529 P1536 | L1469-T1532 HydrophobicContact CD2-CG2 4.41Å; A1472-T1532 HydrophobicContact CB-CG2 4.04Å; L1504-T1532 HydrophobicContact CD1-CG2 4.29Å; S1528-T1532 PolarHBondContact O-N 2.92Å; S1528-T1532 VanDerWaalsContact O-N 3.13Å; S1528-T1532 PolarHBondContact O-OG1 2.83Å; S1528-T1532 VanDerWaalsContact O-OG1 3.14Å; I1529-T1532 PolarHBondContact O-N 3.35Å; I1529-T1532 VanDerWaalsContact O-N 3.14Å; T1532-P1536 WeakPolarHBondContact O-CD 3.49Å |
| 1533 | L | 91.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -79 | -30.8 | 176.6 | -66.3 | 174.3 | 0 | 0 | 0 | 114 | L1504 I1529 I1530 K1531 P1536 M1537 A1552 C1555 F1556 V1559 | L1504-L1533 HydrophobicContact CD1-CD2 3.96Å; L1504-L1533 HydrophobicContact CD2-CD2 3.84Å; L1504-L1533 HydrophobicContact CG-CD2 4.33Å; I1529-L1533 HydrophobicContact CG2-CD1 3.84Å; I1529-L1533 HydrophobicContact CG2-CG 4.32Å; I1529-L1533 WeakPolarHBondContact O-CG 3.42Å; I1529-L1533 PolarHBondContact O-N 3.42Å; I1530-L1533 PolarHBondContact O-N 2.9Å; K1531-L1533 VanDerWaalsContact C-N 3.33Å; L1533-P1536 VanDerWaalsContact O-CD 3.24Å; L1533-P1536 WeakPolarHBondContact O-CD 3.31Å; L1533-P1536 WeakPolarHBondContact O-CG 3.2Å; L1533-M1537 WeakPolarHBondContact O-CB 3.21Å; L1533-M1537 WeakPolarHBondContact O-CG 3.34Å; L1533-M1537 PolarHBondContact O-N 3.06Å; L1533-A1552 HydrophobicContact CD2-CB 4.03Å; L1533-C1555 HydrophobicContact CD1-CB 4.31Å; L1533-C1555 HydrophobicContact CD2-CB 3.61Å; L1533-F1556 HydrophobicContact CB-CD2 4.44Å; L1533-F1556 HydrophobicContact CD1-CB 4.21Å; L1533-V1559 HydrophobicContact CD1-CB 4.36Å; L1533-V1559 HydrophobicContact CD1-CG2 4.23Å |
| 1534 | H | 92.6 | Very high | 85.7 | Confident | 39 Ų | 39 | 30 Ų | 30 | 18% | 0.181 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 178 | 177 | -158.5 | 0 | 0 | 0 | 111.9 | I1530 M1537 A1538 A1606 D1609 | I1530-H1534 WeakPolarHBondContact O-CB 3.5Å; I1530-H1534 PolarHBondContact O-N 3.13Å; H1534-M1537 PolarHBondContact O-N 2.9Å; H1534-A1538 WeakPolarHBondContact O-CB 3.35Å; H1534-A1538 PolarHBondContact O-N 3.41Å; H1534-A1606 HydrophobicContact CB-CB 4.02Å; H1534-A1606 VanDerWaalsContact CD2-CA 3.43Å; H1534-A1606 WeakPolarHBondContact CD2-CA 3.47Å; H1534-D1609 IonicContact CD2-OD2 3.43Å; H1534-D1609 IonicContact CE1-OD2 3.95Å; H1534-D1609 IonicContact NE2-OD2 3.61Å; H1534-D1609 PolarHBondContact NE2-OD2 3.48Å |
| 1535 | Q | 89 | Confident | 85.8 | Confident | 97 Ų | 97 | 28.3 Ų | 28.3 | 45% | 0.453 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -54.6 | -50.6 | -177.2 | -64.6 | 178.3 | 17.8 | 0 | 0 | 114 | I1476 L1539 | I1476-Q1535 HydrophobicContact CD1-CB 3.66Å; Q1535-L1539 WeakPolarHBondContact O-CG 3.06Å |
| 1536 | P | 88.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.1 | -37.5 | 176.4 | 25.5 | -32.7 | 0 | 0 | 0 | 112.3 | I1476 T1532 L1533 A1538 L1539 T1548 W1549 A1552 | I1476-P1536 HydrophobicContact CD1-CB 3.82Å; I1476-P1536 VanDerWaalsContact CD1-CD 3.44Å; I1476-P1536 HydrophobicContact CD1-CG 4.07Å; T1532-P1536 WeakPolarHBondContact O-CD 3.49Å; L1533-P1536 VanDerWaalsContact O-CD 3.24Å; L1533-P1536 WeakPolarHBondContact O-CD 3.31Å; L1533-P1536 WeakPolarHBondContact O-CG 3.2Å; P1536-A1538 PolarHBondContact O-N 2.98Å; P1536-L1539 CarbonylContact O-C 3.59Å; P1536-L1539 PolarHBondContact O-N 3.48Å; P1536-L1539 VanDerWaalsContact O-N 3.09Å; P1536-T1548 HydrophobicContact CB-CG2 4.02Å; P1536-W1549 HydrophobicContact CB-CB 4.43Å; P1536-W1549 WeakPolarHBondContact O-CB 3.42Å; P1536-A1552 HydrophobicContact CB-CB 3.96Å; P1536-A1552 HydrophobicContact CG-CB 3.36Å |
| 1537 | M | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.7 | -73.5 | 175.2 | 59.7 | 0 | 0 | 112.7 | L1533 H1534 L1539 K1540 A1552 F1556 A1606 F1610 F1636 | L1533-M1537 WeakPolarHBondContact O-CB 3.21Å; L1533-M1537 WeakPolarHBondContact O-CG 3.34Å; L1533-M1537 PolarHBondContact O-N 3.06Å; H1534-M1537 PolarHBondContact O-N 2.9Å; M1537-L1539 PolarHBondContact O-N 3.47Å; M1537-K1540 PolarHBondContact O-N 2.8Å; M1537-A1552 HydrophobicContact CG-CB 4.02Å; M1537-F1556 HydrophobicContact CE-CB 4.4Å; M1537-F1556 HydrophobicContact CE-CD1 4.05Å; M1537-F1556 HydrophobicContact CE-CD2 4.08Å; M1537-F1556 HydrophobicContact CE-CE1 4.23Å; M1537-F1556 HydrophobicContact CE-CE2 4.26Å; M1537-F1556 HydrophobicContact CE-CG 3.96Å; M1537-F1556 HydrophobicContact CE-CZ 4.31Å; M1537-F1556 HydrophobicContact SD-CB 3.7Å; M1537-F1556 HydrophobicContact SD-CD1 4.39Å; M1537-F1556 HydrophobicContact SD-CD2 3.67Å; M1537-F1556 HydrophobicContact SD-CE2 4.3Å; M1537-F1556 HydrophobicContact SD-CG 3.7Å; M1537-A1606 HydrophobicContact CE-CB 4.32Å; M1537-F1610 HydrophobicContact CB-CB 4.41Å; M1537-F1610 HydrophobicContact CB-CD2 4.43Å; M1537-F1610 HydrophobicContact CE-CB 4.23Å; M1537-F1610 HydrophobicContact CE-CG 4.4Å; M1537-F1636 HydrophobicContact CE-CE1 3.85Å; M1537-F1636 HydrophobicContact CE-CZ 3.67Å |
| 1538 | A | 85.2 | Confident | 85.9 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -20.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H1534 P1536 D1609 | H1534-A1538 WeakPolarHBondContact O-CB 3.35Å; H1534-A1538 PolarHBondContact O-N 3.41Å; P1536-A1538 PolarHBondContact O-N 2.98Å; A1538-D1609 HydrophobicContact CB-CB 3.76Å |
| 1539 | L | 84 | Confident | 86.2 | Confident | 58 Ų | 58 | 32.6 Ų | 32.6 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 22.6 | 176.9 | -66.7 | 176.3 | 0 | 0 | 0 | 113.1 | I1476 Q1535 P1536 M1537 Y1541 A1542 C1543 | I1476-L1539 HydrophobicContact CG2-CD1 3.88Å; Q1535-L1539 WeakPolarHBondContact O-CG 3.06Å; P1536-L1539 CarbonylContact O-C 3.59Å; P1536-L1539 PolarHBondContact O-N 3.48Å; P1536-L1539 VanDerWaalsContact O-N 3.09Å; M1537-L1539 PolarHBondContact O-N 3.47Å; L1539-Y1541 PolarHBondContact O-N 3.41Å; L1539-A1542 CarbonylContact O-C 3.55Å; L1539-A1542 WeakPolarHBondContact O-CA 3.49Å; L1539-A1542 PolarHBondContact O-N 3.24Å; L1539-C1543 HydrophobicContact CB-CB 3.95Å; L1539-C1543 WeakPolarHBondContact O-CB 3.48Å; L1539-C1543 PolarHBondContact O-N 3.18Å |
| 1540 | K | 84 | Confident | 86.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 128.6 | 171.6 | -169 | -174.4 | -166.6 | 169.8 | 0 | 111.2 | M1537 A1542 W1549 F1610 C1613 N1615 D1633 | M1537-K1540 PolarHBondContact O-N 2.8Å; K1540-A1542 PolarHBondContact O-N 2.8Å; K1540-A1542 VanDerWaalsContact O-N 3.15Å; K1540-W1549 HydrophobicContact CB-CD2 4.46Å; K1540-W1549 HydrophobicContact CD-CH2 4.49Å; K1540-W1549 HydrophobicContact CD-CZ3 4.4Å; K1540-W1549 HydrophobicContact CG-CD2 4.04Å; K1540-W1549 HydrophobicContact CG-CE3 4.06Å; K1540-W1549 HydrophobicContact CG-CH2 4.02Å; K1540-W1549 HydrophobicContact CG-CZ2 4Å; K1540-W1549 HydrophobicContact CG-CZ3 4.05Å; K1540-F1610 HydrophobicContact CB-CD2 4.25Å; K1540-F1610 HydrophobicContact CB-CE2 4.3Å; K1540-F1610 HydrophobicContact CD-CD2 3.88Å; K1540-F1610 HydrophobicContact CD-CE2 3.45Å; K1540-F1610 VanDerWaalsContact CD-CE2 3.45Å; K1540-F1610 HydrophobicContact CD-CZ 3.97Å; K1540-F1610 WeakPolarHBondContact CD-O 3.38Å; K1540-F1610 HydrophobicContact CG-CD2 4.38Å; K1540-F1610 HydrophobicContact CG-CE2 3.96Å; K1540-F1610 PolarHBondContact NZ-O 3.39Å; K1540-C1613 HydrophobicContact CB-CB 3.93Å; K1540-C1613 HydrophobicContact CD-CB 4.2Å; K1540-N1615 WeakPolarHBondContact O-CB 3.43Å; K1540-N1615 PolarHBondContact O-ND2 3.27Å; K1540-D1633 IonicContact NZ-OD1 3.93Å; K1540-D1633 PolarHBondContact NZ-OD1 2.61Å; K1540-D1633 IonicContact NZ-OD2 3.51Å; K1540-D1633 PolarHBondContact NZ-OD2 3.46Å |
| 1541 | Y | 82.9 | Confident | 86.3 | Confident | 42 Ų | 42 | 36.1 Ų | 36.1 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -6.3 | -171.2 | -45.9 | -60.4 | 0 | 0 | 0 | 118.4 | L1539 W1549 N1615 Q1616 P1617 L1621 H1629 | L1539-Y1541 PolarHBondContact O-N 3.41Å; Y1541-W1549 HydrophobicContact CE1-CZ2 4.26Å; Y1541-N1615 WeakPolarHBondContact CD2-O 3.28Å; Y1541-Q1616 WeakPolarHBondContact CB-O 3.26Å; Y1541-P1617 HydrophobicContact CD1-CB 4.32Å; Y1541-P1617 HydrophobicContact CE1-CB 4.14Å; Y1541-P1617 HydrophobicContact CE2-CB 4.48Å; Y1541-L1621 HydrophobicContact CE1-CD2 4.36Å; Y1541-H1629 AromaticContact CE1-CE1 3.98Å; Y1541-H1629 AromaticContact CE1-ND1 3.57Å |
| 1542 | A | 79.6 | Confident | 86.4 | Confident | 53 Ų | 53 | 32.1 Ų | 32.1 | 44% | 0.438 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -2.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | L1539 K1540 N1615 | L1539-A1542 CarbonylContact O-C 3.55Å; L1539-A1542 WeakPolarHBondContact O-CA 3.49Å; L1539-A1542 PolarHBondContact O-N 3.24Å; K1540-A1542 PolarHBondContact O-N 2.8Å; K1540-A1542 VanDerWaalsContact O-N 3.15Å; A1542-N1615 HydrophobicContact CB-CB 4.16Å; A1542-N1615 VanDerWaalsContact CB-ND2 3.35Å; A1542-N1615 WeakPolarHBondContact CB-ND2 3.33Å |
| 1543 | C | 80.4 | Confident | 86.6 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 10% | 0.095 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -65.9 | 140.9 | 177 | -140.9 | 0 | 0 | 0 | 0 | 109.2 | L1539 S1545 W1549 | L1539-C1543 HydrophobicContact CB-CB 3.95Å; L1539-C1543 WeakPolarHBondContact O-CB 3.48Å; L1539-C1543 PolarHBondContact O-N 3.18Å; C1543-S1545 PolarHBondContact O-N 3.19Å; C1543-W1549 HydrophobicContact CB-CB 4.42Å |
| 1544 | P | 77.2 | Confident | 86.7 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -54.3 | -28.2 | -177.5 | -30.3 | 37.5 | 0 | 0 | 0 | 114.8 | I1497 | I1497-P1544 HydrophobicContact CD1-CB 3.58Š|
| 1545 | S | 81.2 | Confident | 86.6 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | trans | -129.8 | 145.8 | 162.9 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | C1543 T1547 T1548 | C1543-S1545 PolarHBondContact O-N 3.19Å; S1545-T1547 VanDerWaalsContact C-N 3.27Å; S1545-T1547 WeakPolarHBondContact CB-OG1 3.27Å; S1545-T1547 PolarHBondContact O-N 2.95Å; S1545-T1547 PolarHBondContact OG-N 3.45Å; S1545-T1547 PolarHBondContact OG-OG1 3.31Å; S1545-T1548 PolarHBondContact O-N 2.76Å | ||
| 1546 | Q | 82.6 | Confident | 86.9 | Confident | 70 Ų | 70 | 31.9 Ų | 31.9 | 33% | 0.327 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66 | -30.7 | 172.5 | -177.9 | 179.1 | -21.9 | 0 | 0 | 112.1 | T1548 W1549 L1550 H1629 | Q1546-T1548 VanDerWaalsContact C-N 3.25Å; Q1546-T1548 PolarHBondContact O-N 2.94Å; Q1546-W1549 HydrophobicContact CG-CZ2 4.1Å; Q1546-W1549 PolarHBondContact O-NE1 3.23Å; Q1546-L1550 HydrophobicContact CG-CD1 3.92Å; Q1546-L1550 WeakPolarHBondContact O-CG 3.19Å; Q1546-L1550 PolarHBondContact O-N 3.14Å; Q1546-H1629 PolarHBondContact NE2-CE1 2.94Å; Q1546-H1629 PolarHBondContact NE2-NE2 3.09Å |
| 1547 | T | 85.9 | Confident | 87 | Confident | 67 Ų | 67 | 34 Ų | 34 | 41% | 0.411 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.8 | -36.6 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 112 | E1501 S1545 L1550 L1551 | E1501-T1547 WeakPolarHBondContact OE1-CB 3.37Å; E1501-T1547 PolarHBondContact OE1-OG1 3.44Å; E1501-T1547 PolarHBondContact OE2-OG1 3.46Å; S1545-T1547 VanDerWaalsContact C-N 3.27Å; S1545-T1547 WeakPolarHBondContact CB-OG1 3.27Å; S1545-T1547 PolarHBondContact O-N 2.95Å; S1545-T1547 PolarHBondContact OG-N 3.45Å; S1545-T1547 PolarHBondContact OG-OG1 3.31Å; T1547-L1550 PolarHBondContact O-N 3.13Å; T1547-L1551 WeakPolarHBondContact O-CB 3.47Å; T1547-L1551 PolarHBondContact O-N 3.05Å |
| 1548 | T | 88.5 | Confident | 87 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | -170.8 | -43.3 | 0 | 0 | 0 | 0 | 112.2 | A1475 I1497 E1501 P1536 S1545 Q1546 A1552 | A1475-T1548 HydrophobicContact CB-CG2 3.65Å; I1497-T1548 WeakPolarHBondContact CG2-OG1 3.2Å; E1501-T1548 HydrophobicContact CG-CG2 4.24Å; E1501-T1548 WeakPolarHBondContact OE1-CA 3.49Å; E1501-T1548 VanDerWaalsContact OE1-CB 3.3Å; E1501-T1548 WeakPolarHBondContact OE1-CB 3.48Å; E1501-T1548 PolarHBondContact OE1-N 3.27Å; E1501-T1548 PolarHBondContact OE1-OG1 2.98Å; P1536-T1548 HydrophobicContact CB-CG2 4.02Å; S1545-T1548 PolarHBondContact O-N 2.76Å; Q1546-T1548 VanDerWaalsContact C-N 3.25Å; Q1546-T1548 PolarHBondContact O-N 2.94Å; T1548-A1552 VanDerWaalsContact O-CB 3.28Å; T1548-A1552 WeakPolarHBondContact O-CB 3.34Å; T1548-A1552 PolarHBondContact O-N 3.38Å |
| 1549 | W | 91.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.8 | -34 | 179.2 | 71.7 | -101.4 | 0 | 0 | 0 | 112 | P1536 K1540 Y1541 C1543 Q1546 A1552 C1553 F1610 H1629 L1632 | P1536-W1549 HydrophobicContact CB-CB 4.43Å; P1536-W1549 WeakPolarHBondContact O-CB 3.42Å; K1540-W1549 HydrophobicContact CB-CD2 4.46Å; K1540-W1549 HydrophobicContact CD-CH2 4.49Å; K1540-W1549 HydrophobicContact CD-CZ3 4.4Å; K1540-W1549 HydrophobicContact CG-CD2 4.04Å; K1540-W1549 HydrophobicContact CG-CE3 4.06Å; K1540-W1549 HydrophobicContact CG-CH2 4.02Å; K1540-W1549 HydrophobicContact CG-CZ2 4Å; K1540-W1549 HydrophobicContact CG-CZ3 4.05Å; Y1541-W1549 HydrophobicContact CE1-CZ2 4.26Å; C1543-W1549 HydrophobicContact CB-CB 4.42Å; Q1546-W1549 HydrophobicContact CG-CZ2 4.1Å; Q1546-W1549 PolarHBondContact O-NE1 3.23Å; W1549-A1552 PolarHBondContact O-N 3.14Å; W1549-C1553 PolarHBondContact O-N 3.1Å; W1549-C1553 PolarHBondContact O-SG 3.26Å; W1549-F1610 HydrophobicContact CE3-CD2 4.49Å; W1549-F1610 AromaticContact CE3-CE2 3.56Å; W1549-F1610 HydrophobicContact CE3-CE2 3.56Å; W1549-F1610 HydrophobicContact CE3-CZ 4.32Å; W1549-F1610 AromaticContact CZ3-CE2 3.51Å; W1549-F1610 HydrophobicContact CZ3-CE2 3.51Å; W1549-F1610 AromaticContact CZ3-CZ 3.85Å; W1549-F1610 HydrophobicContact CZ3-CZ 3.85Å; W1549-H1629 AromaticContact CH2-CD2 3.84Å; W1549-H1629 AromaticContact CH2-NE2 3.87Å; W1549-H1629 AromaticContact CZ2-CE1 3.91Å; W1549-H1629 AromaticContact CZ2-NE2 3.87Å; W1549-L1632 HydrophobicContact CZ3-CD2 4.41Å |
| 1550 | L | 91.3 | Very high | 87.3 | Confident | 50 Ų | 50 | 32.4 Ų | 32.4 | 26% | 0.262 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 172.4 | -75.8 | 170.2 | 0 | 0 | 0 | 111.5 | Q1546 T1547 C1553 R1554 L1632 | Q1546-L1550 HydrophobicContact CG-CD1 3.92Å; Q1546-L1550 WeakPolarHBondContact O-CG 3.19Å; Q1546-L1550 PolarHBondContact O-N 3.14Å; T1547-L1550 PolarHBondContact O-N 3.13Å; L1550-C1553 WeakPolarHBondContact O-CB 3.27Å; L1550-C1553 PolarHBondContact O-N 3.4Å; L1550-R1554 PolarHBondContact O-N 2.9Å; L1550-R1554 VanDerWaalsContact O-N 3.08Å; L1550-L1632 HydrophobicContact CD2-CD1 3.86Å |
| 1551 | L | 90.6 | Very high | 87.4 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 14% | 0.136 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 175.1 | -178.9 | 63.1 | 0 | 0 | 0 | 111 | E1501 L1505 T1547 C1553 R1554 C1555 | E1501-L1551 HydrophobicContact CB-CD2 3.54Å; E1501-L1551 HydrophobicContact CG-CD2 3.76Å; L1505-L1551 HydrophobicContact CD1-CD1 4.06Å; L1505-L1551 HydrophobicContact CD1-CD2 4.28Å; L1505-L1551 HydrophobicContact CD2-CD1 3.88Å; L1505-L1551 HydrophobicContact CG-CD1 3.96Å; L1505-L1551 HydrophobicContact CG-CD2 4.23Å; T1547-L1551 WeakPolarHBondContact O-CB 3.47Å; T1547-L1551 PolarHBondContact O-N 3.05Å; L1551-C1553 VanDerWaalsContact C-N 3.29Å; L1551-C1553 PolarHBondContact O-N 3.21Å; L1551-R1554 WeakPolarHBondContact O-CB 3.41Å; L1551-R1554 PolarHBondContact O-N 3.14Å; L1551-R1554 VanDerWaalsContact O-N 3.13Å; L1551-C1555 WeakPolarHBondContact O-CB 3.23Å; L1551-C1555 PolarHBondContact O-N 3.5Å; L1551-C1555 PolarHBondContact O-SG 2.88Å; L1551-C1555 VanDerWaalsContact O-SG 3.35Å |
| 1552 | A | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1533 P1536 M1537 T1548 W1549 C1555 F1556 | L1533-A1552 HydrophobicContact CD2-CB 4.03Å; P1536-A1552 HydrophobicContact CB-CB 3.96Å; P1536-A1552 HydrophobicContact CG-CB 3.36Å; M1537-A1552 HydrophobicContact CG-CB 4.02Å; T1548-A1552 VanDerWaalsContact O-CB 3.28Å; T1548-A1552 WeakPolarHBondContact O-CB 3.34Å; T1548-A1552 PolarHBondContact O-N 3.38Å; W1549-A1552 PolarHBondContact O-N 3.14Å; A1552-C1555 PolarHBondContact O-N 2.94Å; A1552-F1556 WeakPolarHBondContact O-CB 3.49Å; A1552-F1556 PolarHBondContact O-N 3.45Å |
| 1553 | C | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 171.7 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | W1549 L1550 L1551 C1555 F1556 F1557 F1610 L1632 F1636 | W1549-C1553 PolarHBondContact O-N 3.1Å; W1549-C1553 PolarHBondContact O-SG 3.26Å; L1550-C1553 WeakPolarHBondContact O-CB 3.27Å; L1550-C1553 PolarHBondContact O-N 3.4Å; L1551-C1553 VanDerWaalsContact C-N 3.29Å; L1551-C1553 PolarHBondContact O-N 3.21Å; C1553-C1555 PolarHBondContact O-N 2.83Å; C1553-F1556 WeakPolarHBondContact O-CB 3.46Å; C1553-F1556 PolarHBondContact O-N 3.2Å; C1553-F1556 VanDerWaalsContact O-N 3.14Å; C1553-F1557 WeakPolarHBondContact O-CD2 3.42Å; C1553-F1557 PolarHBondContact O-N 3.17Å; C1553-F1610 WeakPolarHBondContact SG-CE2 3.46Å; C1553-L1632 HydrophobicContact CB-CD2 4.37Å; C1553-F1636 HydrophobicContact CB-CE2 3.92Å; C1553-F1636 HydrophobicContact CB-CZ 4.02Å |
| 1554 | R | 92.6 | Very high | 87 | Confident | 159 Ų | 159 | 35.2 Ų | 35.2 | 60% | 0.6 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -57.9 | -47.5 | 176.8 | 174.3 | 179.5 | 167.9 | 164.7 | -1 | 111.9 | L1550 L1551 F1556 F1557 Q1558 | L1550-R1554 PolarHBondContact O-N 2.9Å; L1550-R1554 VanDerWaalsContact O-N 3.08Å; L1551-R1554 WeakPolarHBondContact O-CB 3.41Å; L1551-R1554 PolarHBondContact O-N 3.14Å; L1551-R1554 VanDerWaalsContact O-N 3.13Å; R1554-F1556 VanDerWaalsContact C-N 3.29Å; R1554-F1556 PolarHBondContact O-N 3.36Å; R1554-F1557 PolarHBondContact O-N 3.24Å; R1554-Q1558 WeakPolarHBondContact O-CG 2.77Å; R1554-Q1558 PolarHBondContact O-N 2.93Å |
| 1555 | C | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 176 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | V1508 L1533 L1551 A1552 C1553 Q1558 V1559 | V1508-C1555 HydrophobicContact CG2-CB 3.99Å; L1533-C1555 HydrophobicContact CD1-CB 4.31Å; L1533-C1555 HydrophobicContact CD2-CB 3.61Å; L1551-C1555 WeakPolarHBondContact O-CB 3.23Å; L1551-C1555 PolarHBondContact O-N 3.5Å; L1551-C1555 PolarHBondContact O-SG 2.88Å; L1551-C1555 VanDerWaalsContact O-SG 3.35Å; A1552-C1555 PolarHBondContact O-N 2.94Å; C1553-C1555 PolarHBondContact O-N 2.83Å; C1555-Q1558 PolarHBondContact O-N 3.18Å; C1555-V1559 VanDerWaalsContact O-CB 3.31Å; C1555-V1559 WeakPolarHBondContact O-CB 3.46Å; C1555-V1559 WeakPolarHBondContact O-CG2 3.47Å; C1555-V1559 PolarHBondContact O-N 2.84Å |
| 1556 | F | 93.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 176.8 | -176.9 | -90.6 | 0 | 0 | 0 | 112 | I1530 L1533 M1537 A1552 C1553 R1554 Q1558 V1559 I1560 I1603 A1606 I1607 F1636 | I1530-F1556 HydrophobicContact CD1-CD2 3.86Å; I1530-F1556 HydrophobicContact CD1-CE2 3.89Å; L1533-F1556 HydrophobicContact CB-CD2 4.44Å; L1533-F1556 HydrophobicContact CD1-CB 4.21Å; M1537-F1556 HydrophobicContact CE-CB 4.4Å; M1537-F1556 HydrophobicContact CE-CD1 4.05Å; M1537-F1556 HydrophobicContact CE-CD2 4.08Å; M1537-F1556 HydrophobicContact CE-CE1 4.23Å; M1537-F1556 HydrophobicContact CE-CE2 4.26Å; M1537-F1556 HydrophobicContact CE-CG 3.96Å; M1537-F1556 HydrophobicContact CE-CZ 4.31Å; M1537-F1556 HydrophobicContact SD-CB 3.7Å; M1537-F1556 HydrophobicContact SD-CD1 4.39Å; M1537-F1556 HydrophobicContact SD-CD2 3.67Å; M1537-F1556 HydrophobicContact SD-CE2 4.3Å; M1537-F1556 HydrophobicContact SD-CG 3.7Å; A1552-F1556 WeakPolarHBondContact O-CB 3.49Å; A1552-F1556 PolarHBondContact O-N 3.45Å; C1553-F1556 WeakPolarHBondContact O-CB 3.46Å; C1553-F1556 PolarHBondContact O-N 3.2Å; C1553-F1556 VanDerWaalsContact O-N 3.14Å; R1554-F1556 VanDerWaalsContact C-N 3.29Å; R1554-F1556 PolarHBondContact O-N 3.36Å; F1556-Q1558 PolarHBondContact O-N 2.99Å; F1556-V1559 PolarHBondContact O-N 3.27Å; F1556-I1560 HydrophobicContact CD1-CD1 3.96Å; F1556-I1560 HydrophobicContact CD1-CG1 4.46Å; F1556-I1560 HydrophobicContact CD2-CD1 4.25Å; F1556-I1560 HydrophobicContact CE1-CD1 3.39Å; F1556-I1560 HydrophobicContact CE1-CG1 4.35Å; F1556-I1560 HydrophobicContact CE2-CD1 3.73Å; F1556-I1560 HydrophobicContact CE2-CG1 4.47Å; F1556-I1560 HydrophobicContact CG-CD1 4.37Å; F1556-I1560 HydrophobicContact CZ-CD1 3.27Å; F1556-I1560 HydrophobicContact CZ-CG1 4.37Å; F1556-I1560 WeakPolarHBondContact O-CB 3.29Å; F1556-I1560 WeakPolarHBondContact O-CG1 3.49Å; F1556-I1560 PolarHBondContact O-N 3.47Å; F1556-I1603 HydrophobicContact CZ-CG2 4.24Å; F1556-A1606 HydrophobicContact CE2-CB 3.96Å; F1556-A1606 HydrophobicContact CZ-CB 4.29Å; F1556-I1607 HydrophobicContact CE1-CD1 4.12Å; F1556-I1607 HydrophobicContact CE1-CG1 3.82Å; F1556-I1607 HydrophobicContact CZ-CD1 4.16Å; F1556-I1607 HydrophobicContact CZ-CG1 3.8Å; F1556-F1636 AromaticContact CD1-CE1 3.77Å; F1556-F1636 HydrophobicContact CD1-CE1 3.77Å; F1556-F1636 HydrophobicContact CD1-CZ 4.24Å; F1556-F1636 AromaticContact CE1-CE1 3.8Å; F1556-F1636 HydrophobicContact CE1-CE1 3.8Å |
| 1557 | F | 90.7 | Very high | 85.6 | Confident | 50 Ų | 50 | 33.4 Ų | 33.4 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 169.8 | -74.1 | -76.8 | 0 | 0 | 0 | 111 | C1553 R1554 V1559 T1561 K1635 F1636 L1639 | C1553-F1557 WeakPolarHBondContact O-CD2 3.42Å; C1553-F1557 PolarHBondContact O-N 3.17Å; R1554-F1557 PolarHBondContact O-N 3.24Å; F1557-V1559 PolarHBondContact O-N 3.37Å; F1557-T1561 WeakPolarHBondContact O-CB 3.47Å; F1557-T1561 PolarHBondContact O-N 3.29Å; F1557-T1561 PolarHBondContact O-OG1 3.37Å; F1557-K1635 HydrophobicContact CZ-CB 4.1Å; F1557-F1636 HydrophobicContact CD2-CZ 4.45Å; F1557-F1636 AromaticContact CE2-CD2 3.92Å; F1557-F1636 HydrophobicContact CE2-CD2 3.92Å; F1557-F1636 HydrophobicContact CE2-CE1 4.28Å; F1557-F1636 AromaticContact CE2-CE2 3.51Å; F1557-F1636 HydrophobicContact CE2-CE2 3.51Å; F1557-F1636 HydrophobicContact CE2-CG 4.47Å; F1557-F1636 AromaticContact CE2-CZ 3.71Å; F1557-F1636 HydrophobicContact CE2-CZ 3.71Å; F1557-F1636 HydrophobicContact CZ-CD1 4.05Å; F1557-F1636 AromaticContact CZ-CD2 3.67Å; F1557-F1636 HydrophobicContact CZ-CD2 3.67Å; F1557-F1636 HydrophobicContact CZ-CE1 4.11Å; F1557-F1636 AromaticContact CZ-CE2 3.74Å; F1557-F1636 HydrophobicContact CZ-CE2 3.74Å; F1557-F1636 AromaticContact CZ-CG 3.84Å; F1557-F1636 HydrophobicContact CZ-CG 3.84Å; F1557-F1636 AromaticContact CZ-CZ 3.95Å; F1557-F1636 HydrophobicContact CZ-CZ 3.95Å; F1557-L1639 HydrophobicContact CD1-CD1 3.43Å; F1557-L1639 VanDerWaalsContact CD1-CD1 3.43Å; F1557-L1639 HydrophobicContact CE1-CB 3.88Å; F1557-L1639 HydrophobicContact CE1-CD1 3.55Å; F1557-L1639 HydrophobicContact CE1-CG 4.32Å |
| 1558 | Q | 88.8 | Confident | 84.5 | Confident | 52 Ų | 52 | 32.8 Ų | 32.8 | 24% | 0.243 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 179.3 | -77.7 | 179.2 | -62 | 0 | 0 | 113.4 | V1508 Q1512 R1554 C1555 F1556 A1562 | V1508-Q1558 HydrophobicContact CG1-CB 4.31Å; Q1512-Q1558 PolarHBondContact NE2-O 3.28Å; R1554-Q1558 WeakPolarHBondContact O-CG 2.77Å; R1554-Q1558 PolarHBondContact O-N 2.93Å; C1555-Q1558 PolarHBondContact O-N 3.18Å; F1556-Q1558 PolarHBondContact O-N 2.99Å; Q1558-A1562 WeakPolarHBondContact O-CB 3.32Å; Q1558-A1562 PolarHBondContact O-N 3.49Å |
| 1559 | V | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.3 | -40.5 | -177.8 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | V1508 Y1511 L1526 I1529 I1530 L1533 C1555 F1556 F1557 G1563 | V1508-V1559 HydrophobicContact CB-CG2 4.41Å; V1508-V1559 HydrophobicContact CG1-CG2 3.81Å; V1508-V1559 HydrophobicContact CG2-CG2 3.88Å; Y1511-V1559 HydrophobicContact CD1-CG1 4.41Å; Y1511-V1559 HydrophobicContact CE1-CG1 4.18Å; L1526-V1559 HydrophobicContact CD1-CG1 3.51Å; I1529-V1559 HydrophobicContact CG2-CB 4.44Å; I1529-V1559 HydrophobicContact CG2-CG1 3.86Å; I1529-V1559 HydrophobicContact CG2-CG2 3.86Å; I1530-V1559 HydrophobicContact CD1-CG1 4.22Å; L1533-V1559 HydrophobicContact CD1-CB 4.36Å; L1533-V1559 HydrophobicContact CD1-CG2 4.23Å; C1555-V1559 VanDerWaalsContact O-CB 3.31Å; C1555-V1559 WeakPolarHBondContact O-CB 3.46Å; C1555-V1559 WeakPolarHBondContact O-CG2 3.47Å; C1555-V1559 PolarHBondContact O-N 2.84Å; F1556-V1559 PolarHBondContact O-N 3.27Å; F1557-V1559 PolarHBondContact O-N 3.37Å; V1559-G1563 WeakPolarHBondContact O-CA 3.46Å; V1559-G1563 PolarHBondContact O-N 3.25Å |
| 1560 | I | 86.7 | Confident | 80.6 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.1 | -40.8 | 178.5 | -73.8 | -165.1 | 0 | 0 | 0 | 111.8 | I1530 F1556 A1562 G1563 I1564 I1603 L1643 F1644 | I1530-I1560 HydrophobicContact CD1-CD1 4.25Å; I1530-I1560 HydrophobicContact CD1-CG1 3.89Å; F1556-I1560 HydrophobicContact CD1-CD1 3.96Å; F1556-I1560 HydrophobicContact CD1-CG1 4.46Å; F1556-I1560 HydrophobicContact CD2-CD1 4.25Å; F1556-I1560 HydrophobicContact CE1-CD1 3.39Å; F1556-I1560 HydrophobicContact CE1-CG1 4.35Å; F1556-I1560 HydrophobicContact CE2-CD1 3.73Å; F1556-I1560 HydrophobicContact CE2-CG1 4.47Å; F1556-I1560 HydrophobicContact CG-CD1 4.37Å; F1556-I1560 HydrophobicContact CZ-CD1 3.27Å; F1556-I1560 HydrophobicContact CZ-CG1 4.37Å; F1556-I1560 WeakPolarHBondContact O-CB 3.29Å; F1556-I1560 WeakPolarHBondContact O-CG1 3.49Å; F1556-I1560 PolarHBondContact O-N 3.47Å; I1560-A1562 VanDerWaalsContact C-N 3.32Å; I1560-A1562 PolarHBondContact O-N 3.35Å; I1560-G1563 PolarHBondContact O-N 3.31Å; I1560-I1564 PolarHBondContact O-N 3.11Å; I1560-I1603 HydrophobicContact CD1-CD1 4.15Å; I1560-I1603 HydrophobicContact CD1-CG1 3.97Å; I1560-I1603 HydrophobicContact CD1-CG2 3.81Å; I1560-L1643 HydrophobicContact CG2-CD2 3.78Å; I1560-F1644 HydrophobicContact CG2-CZ 4.25Å |
| 1561 | T | 85 | Confident | 78.3 | Confident | 88 Ų | 88 | 49 Ų | 49 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | F1557 | F1557-T1561 WeakPolarHBondContact O-CB 3.47Å; F1557-T1561 PolarHBondContact O-N 3.29Å; F1557-T1561 PolarHBondContact O-OG1 3.37Å |
| 1562 | A | 79.8 | Confident | 75.8 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1512 Q1558 I1560 I1564 | Q1512-A1562 HydrophobicContact CG-CB 4.37Å; Q1558-A1562 WeakPolarHBondContact O-CB 3.32Å; Q1558-A1562 PolarHBondContact O-N 3.49Å; I1560-A1562 VanDerWaalsContact C-N 3.32Å; I1560-A1562 PolarHBondContact O-N 3.35Å; A1562-I1564 VanDerWaalsContact C-N 3.25Å; A1562-I1564 PolarHBondContact O-N 2.69Å |
| 1563 | G | 81 | Confident | 73.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75 | -4.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | V1559 I1560 I1565 V1566 L1567 | V1559-G1563 WeakPolarHBondContact O-CA 3.46Å; V1559-G1563 PolarHBondContact O-N 3.25Å; I1560-G1563 PolarHBondContact O-N 3.31Å; G1563-I1565 PolarHBondContact O-N 3.35Å; G1563-V1566 WeakPolarHBondContact O-CA 3.4Å; G1563-V1566 WeakPolarHBondContact O-CB 3.49Å; G1563-V1566 PolarHBondContact O-N 2.88Å; G1563-L1567 PolarHBondContact O-N 2.98Å |
| 1564 | I | 74.3 | Confident | 70.5 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 30% | 0.297 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.8 | -33 | 179.3 | -114.8 | 170.6 | 0 | 0 | 0 | 112.7 | I1560 A1562 V1566 L1567 S1568 L1643 | I1560-I1564 PolarHBondContact O-N 3.11Å; A1562-I1564 VanDerWaalsContact C-N 3.25Å; A1562-I1564 PolarHBondContact O-N 2.69Å; I1564-V1566 PolarHBondContact O-N 2.93Å; I1564-L1567 PolarHBondContact O-N 3.32Å; I1564-L1567 VanDerWaalsContact O-N 3.14Å; I1564-S1568 WeakPolarHBondContact O-CB 3.43Å; I1564-S1568 PolarHBondContact O-N 3.38Å; I1564-S1568 PolarHBondContact O-OG 3.4Å; I1564-L1643 HydrophobicContact CD1-CD1 3.52Å; I1564-L1643 HydrophobicContact CD1-CD2 3.82Å; I1564-L1643 HydrophobicContact CD1-CG 3.62Å |
| 1565 | I | 71.7 | Confident | 67.7 | Low | 90 Ų | 90 | 69.4 Ų | 69.4 | 46% | 0.462 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 176.1 | -58.3 | 171.8 | 0 | 0 | 0 | 110.7 | G1563 S1568 N1569 | G1563-I1565 PolarHBondContact O-N 3.35Å; I1565-S1568 PolarHBondContact O-OG 3.12Å; I1565-N1569 WeakPolarHBondContact O-CB 3.18Å; I1565-N1569 PolarHBondContact O-N 3.13Å; I1565-N1569 PolarHBondContact O-ND2 3.12Å; I1565-N1569 VanDerWaalsContact O-ND2 3.11Å |
| 1566 | V | 74.1 | Confident | 65.3 | Low | 12 Ų | 12 | 77.3 Ų | 77.3 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.2 | -33.1 | 177.7 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | I1523 L1526 G1563 I1564 | I1523-V1566 HydrophobicContact CG1-CG1 3.85Å; L1526-V1566 HydrophobicContact CD2-CB 3.82Å; L1526-V1566 HydrophobicContact CD2-CG1 4Å; L1526-V1566 HydrophobicContact CD2-CG2 4.32Å; G1563-V1566 WeakPolarHBondContact O-CA 3.4Å; G1563-V1566 WeakPolarHBondContact O-CB 3.49Å; G1563-V1566 PolarHBondContact O-N 2.88Å; I1564-V1566 PolarHBondContact O-N 2.93Å |
| 1567 | L | 66.2 | Low | 62.5 | Low | 20 Ų | 20 | 82.7 Ų | 82.7 | 11% | 0.105 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -73.8 | -41.3 | 175.9 | -73.6 | 166.2 | 0 | 0 | 0 | 112.9 | G1563 I1564 N1596 L1599 I1603 | G1563-L1567 PolarHBondContact O-N 2.98Å; I1564-L1567 PolarHBondContact O-N 3.32Å; I1564-L1567 VanDerWaalsContact O-N 3.14Å; L1567-N1596 WeakPolarHBondContact CD2-OD1 3.4Å; L1567-N1596 PolarHBondContact O-ND2 2.62Å; L1567-L1599 HydrophobicContact CD2-CD2 3.63Å; L1567-L1599 HydrophobicContact CD2-CG 4.09Å; L1567-L1599 HydrophobicContact CG-CD2 4.36Å; L1567-I1603 HydrophobicContact CD1-CD1 4.11Å; L1567-I1603 HydrophobicContact CD2-CD1 4.27Å |
| 1568 | S | 63.3 | Low | 60.5 | Low | 53 Ų | 53 | 84.3 Ų | 84.3 | 37% | 0.371 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.6 | -28.2 | -175.1 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | I1564 I1565 K1570 | I1564-S1568 WeakPolarHBondContact O-CB 3.43Å; I1564-S1568 PolarHBondContact O-N 3.38Å; I1564-S1568 PolarHBondContact O-OG 3.4Å; I1565-S1568 PolarHBondContact O-OG 3.12Å; S1568-K1570 PolarHBondContact O-N 3.26Å |
| 1569 | N | 56.6 | Low | 58.3 | Low | 88 Ų | 88 | 87.4 Ų | 87.4 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -72.8 | 117.1 | -178.3 | -76.7 | -18 | 0 | 0 | 0 | 110.7 | I1565 | I1565-N1569 WeakPolarHBondContact O-CB 3.18Å; I1565-N1569 PolarHBondContact O-N 3.13Å; I1565-N1569 PolarHBondContact O-ND2 3.12Å; I1565-N1569 VanDerWaalsContact O-ND2 3.11Å |
| 1570 | K | 39.7 | Very low | 56 | Low | 192 Ų | 192 | 88.3 Ų | 88.3 | 84% | 0.835 | 47% | 0.472 | S | S | * | . | trans | -51.1 | 135.8 | 159.9 | -77.5 | -175.9 | 176.4 | 179 | 0 | 107.9 | S1568 M1572 | S1568-K1570 PolarHBondContact O-N 3.26Å; K1570-M1572 PolarHBondContact O-N 3.12Å | ||
| 1571 | P | 43.3 | Very low | 53.9 | Low | 116 Ų | 116 | 94.8 Ų | 94.8 | 75% | 0.753 | 51% | 0.506 | S | S | * | . | trans | -57 | 108 | -167 | 21.8 | -33.7 | 0 | 0 | 0 | 110.4 | N1573 | P1571-N1573 PolarHBondContact O-N 3.47Š| ||
| 1572 | M | 38.5 | Very low | 51.4 | Low | 166 Ų | 166 | 97.1 Ų | 97.1 | 82% | 0.818 | 51% | 0.509 | S | S | * | . | trans | -68.6 | 125.9 | 177.3 | -161.3 | 120 | 96.4 | 0 | 0 | 107 | K1570 M1574 | K1570-M1572 PolarHBondContact O-N 3.12Å; M1572-M1574 VanDerWaalsContact C-N 3.29Å; M1572-M1574 PolarHBondContact O-N 2.95Å | ||
| 1573 | N | 35.6 | Very low | 49.4 | Very low | 171 Ų | 171 | 104 Ų | 104 | 91% | 0.914 | 54% | 0.535 | S | S | * | . | trans | -65 | 85.5 | -176.8 | -94.5 | -24.1 | 0 | 0 | 0 | 111.2 | P1571 | P1571-N1573 PolarHBondContact O-N 3.47Š| ||
| 1574 | M | 36.5 | Very low | 47 | Very low | 155 Ų | 155 | 111.1 Ų | 111.1 | 76% | 0.764 | 57% | 0.573 | S | S | * | * | trans | -120.8 | 95.1 | 170.8 | -86.7 | -67.4 | -167.6 | 0 | 0 | 109 | M1572 K1576 | M1572-M1574 VanDerWaalsContact C-N 3.29Å; M1572-M1574 PolarHBondContact O-N 2.95Å; M1574-K1576 PolarHBondContact O-N 3.39Å | ||
| 1575 | S | 35.1 | Very low | 44.9 | Very low | 123 Ų | 123 | 113 Ų | 113 | 86% | 0.86 | 59% | 0.591 | S | S | * | * | trans | -78.8 | 43.2 | -179 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1576 | K | 41.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 116 Ų | 116 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | trans | -109.9 | 75.4 | 167.7 | -76.8 | -171 | 176.8 | -177.5 | 0 | 109.8 | M1574 Y1578 | M1574-K1576 PolarHBondContact O-N 3.39Å; K1576-Y1578 PolarHBondContact O-N 2.98Å; K1576-Y1578 VanDerWaalsContact O-N 3.16Å | ||
| 1577 | T | 35.5 | Very low | 40.9 | Very low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.693 | 65% | 0.646 | S | S | * | * | trans | -69.7 | 104.1 | 171.3 | 17.5 | 0 | 0 | 0 | 0 | 110.2 | N1579 | T1577-N1579 PolarHBondContact O-N 2.87Å; T1577-N1579 VanDerWaalsContact O-N 3.13Å | ||
| 1578 | Y | 47 | Very low | 39.1 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 33% | 0.329 | 68% | 0.677 | S | S | . | * | trans | -72 | 100 | 167.3 | -81.5 | -96.7 | 0 | 0 | 0 | 108.6 | P1462 K1576 F1580 | P1462-Y1578 HydrophobicContact CG-CE1 4.43Å; K1576-Y1578 PolarHBondContact O-N 2.98Å; K1576-Y1578 VanDerWaalsContact O-N 3.16Å; Y1578-F1580 VanDerWaalsContact C-N 3.33Å; Y1578-F1580 VanDerWaalsContact O-CD2 3.23Å; Y1578-F1580 WeakPolarHBondContact O-CD2 3.25Å; Y1578-F1580 PolarHBondContact O-N 3.46Å | ||
| 1579 | N | 42.9 | Very low | 37.5 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | trans | -76 | 82.2 | -170.5 | -154.5 | -20.2 | 0 | 0 | 0 | 111.3 | T1577 N1581 | T1577-N1579 PolarHBondContact O-N 2.87Å; T1577-N1579 VanDerWaalsContact O-N 3.13Å; N1579-N1581 PolarHBondContact O-N 3Å | ||
| 1580 | F | 42.9 | Very low | 36.1 | Very low | 19 Ų | 19 | 128.3 Ų | 128.3 | 8% | 0.083 | 71% | 0.709 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -53.5 | -32.1 | -166.7 | -95.8 | -87.7 | 0 | 0 | 0 | 115 | P1462 R1463 Q1466 E1524 I1525 Y1578 | P1462-F1580 HydrophobicContact CB-CZ 4.18Å; R1463-F1580 PolarHBondContact NH1-O 3.4Å; Q1466-F1580 HydrophobicContact CB-CD1 4.45Å; Q1466-F1580 HydrophobicContact CB-CE1 4.29Å; Q1466-F1580 HydrophobicContact CG-CD1 4.41Å; Q1466-F1580 PolarHBondContact NE2-O 2.84Å; E1524-F1580 HydrophobicContact CB-CD2 4.18Å; I1525-F1580 HydrophobicContact CD1-CE2 4.08Å; I1525-F1580 HydrophobicContact CD1-CZ 3.75Å; I1525-F1580 HydrophobicContact CG1-CE1 4.24Å; I1525-F1580 HydrophobicContact CG1-CE2 3.55Å; I1525-F1580 HydrophobicContact CG1-CZ 3.3Å; Y1578-F1580 VanDerWaalsContact C-N 3.33Å; Y1578-F1580 VanDerWaalsContact O-CD2 3.23Å; Y1578-F1580 WeakPolarHBondContact O-CD2 3.25Å; Y1578-F1580 PolarHBondContact O-N 3.46Å |
| 1581 | N | 42.1 | Very low | 35.7 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 11.3 | -164.5 | -73.3 | -27.8 | 0 | 0 | 0 | 116.1 | N1579 K1583 | N1579-N1581 PolarHBondContact O-N 3Å; N1581-K1583 PolarHBondContact O-N 3.16Å |
| 1582 | K | 32.8 | Very low | 35.4 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 59% | 0.591 | 71% | 0.709 | S | S | * | * | trans | -76.1 | 94.6 | -179.4 | -145.3 | -174.3 | -175.9 | -153.6 | 0 | 112.2 | D1584 | K1582-D1584 IonicContact NZ-OD1 2.73Š| ||
| 1583 | K | 37 | Very low | 35.5 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | trans | -85 | 139.9 | 146.9 | -73.9 | -173.7 | 173.9 | -174.3 | 0 | 107.6 | N1581 S1585 | N1581-K1583 PolarHBondContact O-N 3.16Å; K1583-S1585 PolarHBondContact O-N 2.92Å | ||
| 1584 | D | 31.1 | Very low | 36.1 | Very low | 148 Ų | 148 | 115.4 Ų | 115.4 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -74.8 | 90.3 | -173.2 | -75.7 | -52.4 | 0 | 0 | 0 | 112.8 | K1582 | K1582-D1584 IonicContact NZ-OD1 2.73Š|
| 1585 | S | 29.5 | Very low | 37.3 | Very low | 99 Ų | 99 | 110.3 Ų | 110.3 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -147.8 | 106.9 | 164.1 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | K1583 | K1583-S1585 PolarHBondContact O-N 2.92Š|
| 1586 | I | 29.5 | Very low | 38.9 | Very low | 153 Ų | 153 | 107.4 Ų | 107.4 | 79% | 0.785 | 62% | 0.624 | S | S | * | * | trans | 39.5 | 119.5 | 160 | -48.6 | 178.4 | 0 | 0 | 0 | 117.5 | S1588 | I1586-S1588 PolarHBondContact O-N 3.5Š| ||
| 1587 | P | 32.5 | Very low | 40.5 | Very low | 137 Ų | 137 | 104.2 Ų | 104.2 | 89% | 0.89 | 61% | 0.611 | S | S | * | * | trans | -74.1 | 93.4 | -175.8 | 31.7 | -35.8 | 0 | 0 | 0 | 113.4 | ||||
| 1588 | S | 28.1 | Very low | 42.5 | Very low | 109 Ų | 109 | 101 Ų | 101 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | trans | -89 | 109.6 | 165.9 | 40.4 | 0 | 0 | 0 | 0 | 111.4 | I1586 | I1586-S1588 PolarHBondContact O-N 3.5Š| ||
| 1589 | S | 29.5 | Very low | 44.2 | Very low | 117 Ų | 117 | 97.1 Ų | 97.1 | 82% | 0.818 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 6 | 121.8 | 162.8 | 58.5 | 0 | 0 | 0 | 0 | 119.9 | ||
| 1590 | G | 27.6 | Very low | 46.2 | Very low | 68 Ų | 68 | 91.7 Ų | 91.7 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | trans | 86.6 | 55.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1592 | G1590-V1592 PolarHBondContact O-N 3.41Š| ||
| 1591 | G | 31.6 | Very low | 48.3 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 80% | 0.804 | 56% | 0.561 | S | S | * | * | trans | -58.9 | 107.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1593 | G1591-I1593 PolarHBondContact O-N 2.88Å; G1591-I1593 VanDerWaalsContact O-N 3.12Å | ||
| 1592 | V | 37.3 | Very low | 50.4 | Low | 128 Ų | 128 | 90.3 Ų | 90.3 | 78% | 0.776 | 53% | 0.534 | S | S | * | . | trans | -67.3 | 109.6 | 177.5 | -179.6 | 0 | 0 | 0 | 0 | 108 | G1590 S1594 | G1590-V1592 PolarHBondContact O-N 3.41Å; V1592-S1594 PolarHBondContact O-N 2.95Å | ||
| 1593 | I | 40.1 | Very low | 53 | Low | 144 Ų | 144 | 84 Ų | 84 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | trans | -57.6 | 120.1 | 173.8 | -60.9 | 169.6 | 0 | 0 | 0 | 107.1 | G1591 S1595 | G1591-I1593 PolarHBondContact O-N 2.88Å; G1591-I1593 VanDerWaalsContact O-N 3.12Å; I1593-S1595 PolarHBondContact O-N 3.25Å | ||
| 1594 | S | 48.8 | Very low | 55.4 | Low | 23 Ų | 23 | 76 Ų | 76 | 16% | 0.161 | 47% | 0.471 | C | S | . | . | trans | -60 | 106.4 | 177.3 | 56 | 0 | 0 | 0 | 0 | 108.8 | V1592 | V1592-S1594 PolarHBondContact O-N 2.95Š| ||
| 1595 | S | 62.3 | Low | 58.2 | Low | 48 Ų | 48 | 70.2 Ų | 70.2 | 34% | 0.336 | 44% | 0.441 | S | S | . | . | trans | -79 | 160.6 | -178.4 | 69.2 | 0 | 0 | 0 | 0 | 109.7 | I1593 H1597 D1598 L1599 | I1593-S1595 PolarHBondContact O-N 3.25Å; S1595-H1597 PolarHBondContact O-N 3.02Å; S1595-H1597 WeakPolarHBondContact OG-CB 3.09Å; S1595-H1597 PolarHBondContact OG-N 3.14Å; S1595-D1598 WeakPolarHBondContact CB-OD2 3.22Å; S1595-D1598 PolarHBondContact N-OD2 3.17Å; S1595-D1598 PolarHBondContact O-N 3.43Å; S1595-D1598 PolarHBondContact OG-N 2.94Å; S1595-D1598 PolarHBondContact OG-OD2 3.09Å; S1595-L1599 PolarHBondContact O-N 3.4Å | ||
| 1596 | N | 68.1 | Low | 61.1 | Low | 62 Ų | 62 | 65.5 Ų | 65.5 | 33% | 0.332 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.9 | -25.5 | 171.4 | -163.8 | -7.3 | 0 | 0 | 0 | 111 | L1567 C1600 | L1567-N1596 WeakPolarHBondContact CD2-OD1 3.4Å; L1567-N1596 PolarHBondContact O-ND2 2.62Å; N1596-C1600 VanDerWaalsContact O-CB 3.24Å; N1596-C1600 WeakPolarHBondContact O-CB 3.47Å; N1596-C1600 PolarHBondContact O-N 3.18Å; N1596-C1600 PolarHBondContact O-SG 3.43Å; N1596-C1600 PolarHBondContact OD1-SG 2.74Å |
| 1597 | H | 73.8 | Confident | 63.9 | Low | 99 Ų | 99 | 58.2 Ų | 58.2 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 172.4 | -167.1 | 88.4 | 0 | 0 | 0 | 113 | S1595 K1601 F1654 | S1595-H1597 PolarHBondContact O-N 3.02Å; S1595-H1597 WeakPolarHBondContact OG-CB 3.09Å; S1595-H1597 PolarHBondContact OG-N 3.14Å; H1597-K1601 VanDerWaalsContact O-CB 3.27Å; H1597-K1601 WeakPolarHBondContact O-CB 3.24Å; H1597-K1601 PolarHBondContact O-N 3.02Å; H1597-F1654 AromaticContact CE1-CD1 3.45Å; H1597-F1654 VanDerWaalsContact CE1-CD1 3.45Å; H1597-F1654 WeakPolarHBondContact CE1-CD1 3.15Å; H1597-F1654 AromaticContact CE1-CE1 3.24Å; H1597-F1654 WeakPolarHBondContact CE1-CE1 3.42Å; H1597-F1654 AromaticContact CE1-CZ 3.66Å; H1597-F1654 AromaticContact ND1-CD1 3.71Å; H1597-F1654 AromaticContact ND1-CE1 3.16Å; H1597-F1654 WeakPolarHBondContact ND1-CE1 3.29Å; H1597-F1654 AromaticContact ND1-CZ 3.75Å |
| 1598 | D | 78.5 | Confident | 66.6 | Low | 46 Ų | 46 | 54.4 Ų | 54.4 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.1 | -43.9 | 178.5 | -58.8 | -63.3 | 0 | 0 | 0 | 111.4 | S1595 K1601 H1602 | S1595-D1598 WeakPolarHBondContact CB-OD2 3.22Å; S1595-D1598 PolarHBondContact N-OD2 3.17Å; S1595-D1598 PolarHBondContact O-N 3.43Å; S1595-D1598 PolarHBondContact OG-N 2.94Å; S1595-D1598 PolarHBondContact OG-OD2 3.09Å; D1598-K1601 WeakPolarHBondContact O-CB 3.47Å; D1598-K1601 PolarHBondContact O-N 2.83Å; D1598-H1602 PolarHBondContact O-N 2.92Å; D1598-H1602 PolarHBondContact O-ND1 3.19Å; D1598-H1602 VanDerWaalsContact O-ND1 3.16Å |
| 1599 | L | 82.9 | Confident | 69.4 | Low | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 174.1 | 177.7 | 61.6 | 0 | 0 | 0 | 111.3 | I1523 L1526 D1527 I1530 L1567 S1595 K1601 H1602 I1603 | I1523-L1599 HydrophobicContact CG2-CD2 4.4Å; L1526-L1599 HydrophobicContact CD2-CD2 3.78Å; L1526-L1599 HydrophobicContact CG-CD1 4.25Å; L1526-L1599 HydrophobicContact CG-CD2 4.13Å; D1527-L1599 HydrophobicContact CB-CD1 4.26Å; I1530-L1599 HydrophobicContact CB-CD1 4.37Å; I1530-L1599 HydrophobicContact CG1-CD1 4.11Å; L1567-L1599 HydrophobicContact CD2-CD2 3.63Å; L1567-L1599 HydrophobicContact CD2-CG 4.09Å; L1567-L1599 HydrophobicContact CG-CD2 4.36Å; S1595-L1599 PolarHBondContact O-N 3.4Å; L1599-K1601 PolarHBondContact O-N 2.82Å; L1599-H1602 PolarHBondContact O-N 3.35Å; L1599-I1603 HydrophobicContact CD1-CD1 4.2Å; L1599-I1603 HydrophobicContact CD1-CG1 4.46Å; L1599-I1603 HydrophobicContact CG-CD1 4.07Å; L1599-I1603 VanDerWaalsContact O-CG1 3.31Å; L1599-I1603 WeakPolarHBondContact O-CG1 3.41Å; L1599-I1603 PolarHBondContact O-N 2.82Å |
| 1600 | C | 83.7 | Confident | 72.2 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.2 | -39.6 | 174 | -75.2 | 0 | 0 | 0 | 0 | 111.7 | N1596 I1603 V1604 F1654 F1655 | N1596-C1600 VanDerWaalsContact O-CB 3.24Å; N1596-C1600 WeakPolarHBondContact O-CB 3.47Å; N1596-C1600 PolarHBondContact O-N 3.18Å; N1596-C1600 PolarHBondContact O-SG 3.43Å; N1596-C1600 PolarHBondContact OD1-SG 2.74Å; C1600-I1603 PolarHBondContact O-N 3.34Å; C1600-V1604 WeakPolarHBondContact O-CG2 2.99Å; C1600-V1604 PolarHBondContact O-N 2.99Å; C1600-V1604 VanDerWaalsContact O-N 3.13Å; C1600-F1654 HydrophobicContact CB-CZ 4.01Å; C1600-F1655 HydrophobicContact CB-CD2 3.8Å; C1600-F1655 HydrophobicContact CB-CE2 4.18Å; C1600-F1655 WeakPolarHBondContact O-CD2 3.44Å; C1600-F1655 WeakPolarHBondContact O-CE2 3.46Å |
| 1601 | K | 86.9 | Confident | 75 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.4 | -48.9 | 176.8 | 179 | -173 | 170.2 | -163 | 0 | 111.7 | H1597 D1598 L1599 I1603 V1604 D1605 | H1597-K1601 VanDerWaalsContact O-CB 3.27Å; H1597-K1601 WeakPolarHBondContact O-CB 3.24Å; H1597-K1601 PolarHBondContact O-N 3.02Å; D1598-K1601 WeakPolarHBondContact O-CB 3.47Å; D1598-K1601 PolarHBondContact O-N 2.83Å; L1599-K1601 PolarHBondContact O-N 2.82Å; K1601-I1603 PolarHBondContact O-N 3.25Å; K1601-V1604 PolarHBondContact O-N 3.21Å; K1601-D1605 WeakPolarHBondContact CE-OD2 3.31Å; K1601-D1605 WeakPolarHBondContact CG-OD2 3.17Å; K1601-D1605 WeakPolarHBondContact O-CB 3.34Å; K1601-D1605 VanDerWaalsContact O-CG 3.29Å; K1601-D1605 PolarHBondContact O-N 3.35Å |
| 1602 | H | 86.7 | Confident | 77.4 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -35.9 | 177.1 | -61.8 | 138.6 | 0 | 0 | 0 | 112 | D1527 I1530 K1531 D1598 L1599 A1606 | D1527-H1602 IonicContact OD1-CE1 2.84Å; D1527-H1602 PolarHBondContact OD1-CE1 2.71Å; D1527-H1602 IonicContact OD1-CG 3.07Å; D1527-H1602 IonicContact OD1-ND1 3.65Å; D1527-H1602 PolarHBondContact OD1-ND1 3.4Å; I1530-H1602 HydrophobicContact CG2-CB 4.01Å; K1531-H1602 WeakPolarHBondContact CE-CE1 3.28Å; D1598-H1602 PolarHBondContact O-N 2.92Å; D1598-H1602 PolarHBondContact O-ND1 3.19Å; D1598-H1602 VanDerWaalsContact O-ND1 3.16Å; L1599-H1602 PolarHBondContact O-N 3.35Å; H1602-A1606 VanDerWaalsContact O-CB 3.24Å; H1602-A1606 WeakPolarHBondContact O-CB 3.37Å; H1602-A1606 PolarHBondContact O-N 3.45Å |
| 1603 | I | 87.9 | Confident | 79.3 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -47.8 | 174.3 | -68.8 | 167.8 | 0 | 0 | 0 | 111.5 | I1530 F1556 I1560 L1567 L1599 C1600 K1601 I1607 F1644 F1655 | I1530-I1603 HydrophobicContact CG2-CG1 4.28Å; F1556-I1603 HydrophobicContact CZ-CG2 4.24Å; I1560-I1603 HydrophobicContact CD1-CD1 4.15Å; I1560-I1603 HydrophobicContact CD1-CG1 3.97Å; I1560-I1603 HydrophobicContact CD1-CG2 3.81Å; L1567-I1603 HydrophobicContact CD1-CD1 4.11Å; L1567-I1603 HydrophobicContact CD2-CD1 4.27Å; L1599-I1603 HydrophobicContact CD1-CD1 4.2Å; L1599-I1603 HydrophobicContact CD1-CG1 4.46Å; L1599-I1603 HydrophobicContact CG-CD1 4.07Å; L1599-I1603 VanDerWaalsContact O-CG1 3.31Å; L1599-I1603 WeakPolarHBondContact O-CG1 3.41Å; L1599-I1603 PolarHBondContact O-N 2.82Å; C1600-I1603 PolarHBondContact O-N 3.34Å; K1601-I1603 PolarHBondContact O-N 3.25Å; I1603-I1607 HydrophobicContact CG2-CD1 3.93Å; I1603-I1607 VanDerWaalsContact O-CG1 3.29Å; I1603-I1607 WeakPolarHBondContact O-CG1 3.5Å; I1603-I1607 PolarHBondContact O-N 3.08Å; I1603-I1607 VanDerWaalsContact O-N 3.09Å; I1603-F1644 HydrophobicContact CG2-CE2 4.37Å; I1603-F1644 HydrophobicContact CG2-CZ 4.04Å; I1603-F1655 HydrophobicContact CB-CE2 4.32Å; I1603-F1655 HydrophobicContact CG2-CE2 4.03Å; I1603-F1655 HydrophobicContact CG2-CZ 4.13Å |
| 1604 | V | 87.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.9 | -40.1 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 112 | C1600 K1601 A1606 I1607 Q1608 F1655 R1658 L1659 L1662 | C1600-V1604 WeakPolarHBondContact O-CG2 2.99Å; C1600-V1604 PolarHBondContact O-N 2.99Å; C1600-V1604 VanDerWaalsContact O-N 3.13Å; K1601-V1604 PolarHBondContact O-N 3.21Å; V1604-A1606 VanDerWaalsContact C-N 3.33Å; V1604-A1606 PolarHBondContact O-N 3.36Å; V1604-I1607 PolarHBondContact O-N 3.01Å; V1604-Q1608 WeakPolarHBondContact O-CB 3.44Å; V1604-Q1608 PolarHBondContact O-N 3.17Å; V1604-F1655 HydrophobicContact CG2-CD2 3.17Å; V1604-F1655 HydrophobicContact CG2-CE2 3.26Å; V1604-F1655 HydrophobicContact CG2-CG 4.05Å; V1604-F1655 HydrophobicContact CG2-CZ 4.2Å; V1604-R1658 HydrophobicContact CG1-CB 4.12Å; V1604-R1658 HydrophobicContact CG1-CG 3.65Å; V1604-L1659 HydrophobicContact CG2-CD2 4.48Å; V1604-L1662 HydrophobicContact CG1-CD1 4.07Å |
| 1605 | D | 89.6 | Confident | 81.9 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 177.1 | -70.1 | -16.9 | 0 | 0 | 0 | 109.6 | K1601 I1607 Q1608 D1609 R1658 | K1601-D1605 WeakPolarHBondContact CE-OD2 3.31Å; K1601-D1605 WeakPolarHBondContact CG-OD2 3.17Å; K1601-D1605 WeakPolarHBondContact O-CB 3.34Å; K1601-D1605 VanDerWaalsContact O-CG 3.29Å; K1601-D1605 PolarHBondContact O-N 3.35Å; D1605-I1607 PolarHBondContact O-N 2.75Å; D1605-Q1608 PolarHBondContact O-N 3.38Å; D1605-D1609 WeakPolarHBondContact O-CB 3.22Å; D1605-D1609 PolarHBondContact O-N 3.09Å; D1605-R1658 IonicContact OD1-CZ 3.84Å; D1605-R1658 IonicContact OD1-NH1 3.56Å; D1605-R1658 PolarHBondContact OD1-NH1 3.3Å; D1605-R1658 IonicContact OD1-NH2 2.61Å; D1605-R1658 PolarHBondContact OD1-NH2 3.18Å |
| 1606 | A | 89.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1534 M1537 F1556 H1602 V1604 F1610 | H1534-A1606 HydrophobicContact CB-CB 4.02Å; H1534-A1606 VanDerWaalsContact CD2-CA 3.43Å; H1534-A1606 WeakPolarHBondContact CD2-CA 3.47Å; M1537-A1606 HydrophobicContact CE-CB 4.32Å; F1556-A1606 HydrophobicContact CE2-CB 3.96Å; F1556-A1606 HydrophobicContact CZ-CB 4.29Å; H1602-A1606 VanDerWaalsContact O-CB 3.24Å; H1602-A1606 WeakPolarHBondContact O-CB 3.37Å; H1602-A1606 PolarHBondContact O-N 3.45Å; V1604-A1606 VanDerWaalsContact C-N 3.33Å; V1604-A1606 PolarHBondContact O-N 3.36Å; A1606-F1610 WeakPolarHBondContact O-CB 3.17Å; A1606-F1610 PolarHBondContact O-N 3.45Å |
| 1607 | I | 89.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.3 | -40.1 | 177.4 | -66.6 | 167.5 | 0 | 0 | 0 | 111.1 | F1556 I1603 V1604 D1605 L1611 F1636 L1639 I1640 F1644 L1662 | F1556-I1607 HydrophobicContact CE1-CD1 4.12Å; F1556-I1607 HydrophobicContact CE1-CG1 3.82Å; F1556-I1607 HydrophobicContact CZ-CD1 4.16Å; F1556-I1607 HydrophobicContact CZ-CG1 3.8Å; I1603-I1607 HydrophobicContact CG2-CD1 3.93Å; I1603-I1607 VanDerWaalsContact O-CG1 3.29Å; I1603-I1607 WeakPolarHBondContact O-CG1 3.5Å; I1603-I1607 PolarHBondContact O-N 3.08Å; I1603-I1607 VanDerWaalsContact O-N 3.09Å; V1604-I1607 PolarHBondContact O-N 3.01Å; D1605-I1607 PolarHBondContact O-N 2.75Å; I1607-L1611 HydrophobicContact CG2-CD1 3.86Å; I1607-L1611 HydrophobicContact CG2-CG 4.38Å; I1607-L1611 WeakPolarHBondContact O-CB 3.23Å; I1607-L1611 WeakPolarHBondContact O-CG 3.34Å; I1607-L1611 PolarHBondContact O-N 2.81Å; I1607-F1636 HydrophobicContact CG1-CD1 4.2Å; I1607-F1636 HydrophobicContact CG1-CE1 4.3Å; I1607-F1636 HydrophobicContact CG2-CD1 4.45Å; I1607-L1639 HydrophobicContact CD1-CD2 4.27Å; I1607-I1640 HydrophobicContact CG2-CD1 3.86Å; I1607-I1640 HydrophobicContact CG2-CG1 4.33Å; I1607-F1644 HydrophobicContact CD1-CE2 3.95Å; I1607-L1662 HydrophobicContact CG2-CD1 4.18Å |
| 1608 | Q | 88.6 | Confident | 82.2 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 27% | 0.266 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.7 | -51.4 | 179.8 | 175.3 | 171.1 | -24 | 0 | 0 | 111.7 | V1604 D1605 F1610 L1611 F1612 R1658 L1662 | V1604-Q1608 WeakPolarHBondContact O-CB 3.44Å; V1604-Q1608 PolarHBondContact O-N 3.17Å; D1605-Q1608 PolarHBondContact O-N 3.38Å; Q1608-F1610 PolarHBondContact O-N 2.88Å; Q1608-L1611 PolarHBondContact O-N 2.78Å; Q1608-F1612 PolarHBondContact O-N 2.91Å; Q1608-R1658 VanDerWaalsContact OE1-CZ 3.27Å; Q1608-L1662 HydrophobicContact CB-CD1 4.12Å; Q1608-L1662 HydrophobicContact CB-CD2 3.69Å; Q1608-L1662 HydrophobicContact CG-CD2 3.58Å |
| 1609 | D | 86.3 | Confident | 81.6 | Confident | 61 Ų | 61 | 38.9 Ų | 38.9 | 33% | 0.326 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.4 | -32.4 | -178.2 | -64.7 | -21 | 0 | 0 | 0 | 111 | H1534 A1538 D1605 C1613 | H1534-D1609 IonicContact CD2-OD2 3.43Å; H1534-D1609 IonicContact CE1-OD2 3.95Å; H1534-D1609 IonicContact NE2-OD2 3.61Å; H1534-D1609 PolarHBondContact NE2-OD2 3.48Å; A1538-D1609 HydrophobicContact CB-CB 3.76Å; D1605-D1609 WeakPolarHBondContact O-CB 3.22Å; D1605-D1609 PolarHBondContact O-N 3.09Å; D1609-C1613 WeakPolarHBondContact O-CA 3.23Å; D1609-C1613 PolarHBondContact O-N 3.22Å |
| 1610 | F | 89.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.1 | -50.5 | 175.1 | 177.5 | -101.8 | 0 | 0 | 0 | 113.7 | M1537 K1540 W1549 C1553 A1606 Q1608 L1632 D1633 F1636 | M1537-F1610 HydrophobicContact CB-CB 4.41Å; M1537-F1610 HydrophobicContact CB-CD2 4.43Å; M1537-F1610 HydrophobicContact CE-CB 4.23Å; M1537-F1610 HydrophobicContact CE-CG 4.4Å; K1540-F1610 HydrophobicContact CB-CD2 4.25Å; K1540-F1610 HydrophobicContact CB-CE2 4.3Å; K1540-F1610 HydrophobicContact CD-CD2 3.88Å; K1540-F1610 HydrophobicContact CD-CE2 3.45Å; K1540-F1610 VanDerWaalsContact CD-CE2 3.45Å; K1540-F1610 HydrophobicContact CD-CZ 3.97Å; K1540-F1610 WeakPolarHBondContact CD-O 3.38Å; K1540-F1610 HydrophobicContact CG-CD2 4.38Å; K1540-F1610 HydrophobicContact CG-CE2 3.96Å; K1540-F1610 PolarHBondContact NZ-O 3.39Å; W1549-F1610 HydrophobicContact CE3-CD2 4.49Å; W1549-F1610 AromaticContact CE3-CE2 3.56Å; W1549-F1610 HydrophobicContact CE3-CE2 3.56Å; W1549-F1610 HydrophobicContact CE3-CZ 4.32Å; W1549-F1610 AromaticContact CZ3-CE2 3.51Å; W1549-F1610 HydrophobicContact CZ3-CE2 3.51Å; W1549-F1610 AromaticContact CZ3-CZ 3.85Å; W1549-F1610 HydrophobicContact CZ3-CZ 3.85Å; C1553-F1610 WeakPolarHBondContact SG-CE2 3.46Å; A1606-F1610 WeakPolarHBondContact O-CB 3.17Å; A1606-F1610 PolarHBondContact O-N 3.45Å; Q1608-F1610 PolarHBondContact O-N 2.88Å; F1610-L1632 HydrophobicContact CE1-CD2 3.76Å; F1610-L1632 HydrophobicContact CE2-CD2 4.35Å; F1610-L1632 HydrophobicContact CZ-CD2 3.32Å; F1610-D1633 WeakPolarHBondContact CE1-OD1 3.48Å; F1610-D1633 WeakPolarHBondContact CZ-OD1 3.4Å; F1610-F1636 AromaticContact CD1-CD2 3.7Å; F1610-F1636 HydrophobicContact CD1-CD2 3.7Å; F1610-F1636 AromaticContact CD1-CE2 3.65Å; F1610-F1636 HydrophobicContact CD1-CE2 3.65Å; F1610-F1636 HydrophobicContact CD1-CG 4.17Å; F1610-F1636 HydrophobicContact CD1-CZ 4.11Å; F1610-F1636 AromaticContact CE1-CD2 3.37Å; F1610-F1636 HydrophobicContact CE1-CD2 3.37Å; F1610-F1636 AromaticContact CE1-CE2 3.41Å; F1610-F1636 HydrophobicContact CE1-CE2 3.41Å; F1610-F1636 VanDerWaalsContact CE1-CE2 3.41Å; F1610-F1636 HydrophobicContact CE1-CG 4.22Å; F1610-F1636 HydrophobicContact CE1-CZ 4.3Å; F1610-F1636 HydrophobicContact CG-CE2 4.48Å; F1610-F1636 HydrophobicContact CZ-CD2 4.35Å; F1610-F1636 HydrophobicContact CZ-CE2 4.09Å |
| 1611 | L | 85.3 | Confident | 80.8 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -33 | -177.8 | -74.2 | 179 | 0 | 0 | 0 | 112.7 | I1607 Q1608 D1633 F1636 I1640 F1771 | I1607-L1611 HydrophobicContact CG2-CD1 3.86Å; I1607-L1611 HydrophobicContact CG2-CG 4.38Å; I1607-L1611 WeakPolarHBondContact O-CB 3.23Å; I1607-L1611 WeakPolarHBondContact O-CG 3.34Å; I1607-L1611 PolarHBondContact O-N 2.81Å; Q1608-L1611 PolarHBondContact O-N 2.78Å; L1611-D1633 HydrophobicContact CD2-CB 3.8Å; L1611-F1636 HydrophobicContact CD2-CB 3.96Å; L1611-F1636 HydrophobicContact CG-CB 4.46Å; L1611-I1640 HydrophobicContact CD1-CD1 4.05Å; L1611-F1771 HydrophobicContact CD2-CE2 3.94Å; L1611-F1771 HydrophobicContact CD2-CZ 4.37Å |
| 1612 | F | 83.7 | Confident | 80.3 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 42.2 | -175.5 | -57.7 | -78.7 | 0 | 0 | 0 | 112.1 | Q1608 Q1614 L1662 L1665 F1771 | Q1608-F1612 PolarHBondContact O-N 2.91Å; F1612-Q1614 PolarHBondContact O-N 3.47Å; F1612-L1662 HydrophobicContact CD2-CD2 3.95Å; F1612-L1662 HydrophobicContact CE2-CB 4.18Å; F1612-L1662 HydrophobicContact CE2-CD2 3.69Å; F1612-L1662 HydrophobicContact CE2-CG 4.5Å; F1612-L1662 WeakPolarHBondContact CZ-O 3.41Å; F1612-L1665 HydrophobicContact CD1-CD2 3.72Å; F1612-L1665 HydrophobicContact CD1-CG 3.97Å; F1612-L1665 HydrophobicContact CD2-CD2 4Å; F1612-L1665 HydrophobicContact CE1-CB 3.98Å; F1612-L1665 HydrophobicContact CE1-CD2 3.76Å; F1612-L1665 HydrophobicContact CE1-CG 3.59Å; F1612-L1665 HydrophobicContact CE2-CB 4.43Å; F1612-L1665 HydrophobicContact CE2-CD2 4.04Å; F1612-L1665 HydrophobicContact CE2-CG 4.49Å; F1612-L1665 HydrophobicContact CG-CD2 3.86Å; F1612-L1665 HydrophobicContact CZ-CB 3.81Å; F1612-L1665 HydrophobicContact CZ-CD2 3.93Å; F1612-L1665 HydrophobicContact CZ-CG 3.9Å; F1612-F1771 HydrophobicContact CZ-CZ 4.46Å |
| 1613 | C | 76.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 14% | 0.142 | 25% | 0.247 | C | C | . | . | trans | -55.8 | 135.8 | 178.5 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | K1540 D1609 N1615 | K1540-C1613 HydrophobicContact CB-CB 3.93Å; K1540-C1613 HydrophobicContact CD-CB 4.2Å; D1609-C1613 WeakPolarHBondContact O-CA 3.23Å; D1609-C1613 PolarHBondContact O-N 3.22Å; C1613-N1615 VanDerWaalsContact C-N 3.28Å; C1613-N1615 PolarHBondContact O-N 3.42Å | ||
| 1614 | Q | 71 | Confident | 78.8 | Confident | 134 Ų | 134 | 49.8 Ų | 49.8 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -80.5 | -11.1 | 179.9 | -62.5 | -178.3 | 24 | 0 | 0 | 113.1 | F1612 | F1612-Q1614 PolarHBondContact O-N 3.47Š|
| 1615 | N | 73.4 | Confident | 78.4 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -84.8 | 137.3 | -175.4 | -48.2 | -46 | 0 | 0 | 0 | 110.1 | K1540 Y1541 A1542 C1613 | K1540-N1615 WeakPolarHBondContact O-CB 3.43Å; K1540-N1615 PolarHBondContact O-ND2 3.27Å; Y1541-N1615 WeakPolarHBondContact CD2-O 3.28Å; A1542-N1615 HydrophobicContact CB-CB 4.16Å; A1542-N1615 VanDerWaalsContact CB-ND2 3.35Å; A1542-N1615 WeakPolarHBondContact CB-ND2 3.33Å; C1613-N1615 VanDerWaalsContact C-N 3.28Å; C1613-N1615 PolarHBondContact O-N 3.42Å |
| 1616 | Q | 67.2 | Low | 77.9 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -77 | 145.8 | 177.6 | -67.2 | -172.2 | -20.9 | 0 | 0 | 111 | Y1541 P1673 S1675 | Y1541-Q1616 WeakPolarHBondContact CB-O 3.26Å; Q1616-P1673 PolarHBondContact NE2-O 2.95Å; Q1616-P1673 VanDerWaalsContact NE2-O 3.07Å; Q1616-S1675 PolarHBondContact NE2-OG 3.43Å |
| 1617 | P | 71.8 | Confident | 77.3 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 139.8 | 170.4 | 28.3 | -34.4 | 0 | 0 | 0 | 109.5 | Y1541 L1621 F1626 I1672 | Y1541-P1617 HydrophobicContact CD1-CB 4.32Å; Y1541-P1617 HydrophobicContact CE1-CB 4.14Å; Y1541-P1617 HydrophobicContact CE2-CB 4.48Å; P1617-L1621 HydrophobicContact CB-CD2 3.98Å; P1617-F1626 HydrophobicContact CG-CE2 4.39Å; P1617-I1672 HydrophobicContact CG-CD1 3.91Å |
| 1618 | P | 70.3 | Confident | 76.9 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 145.7 | 179.5 | 25.7 | -32.6 | 0 | 0 | 0 | 110.7 | S1620 L1621 | P1618-S1620 PolarHBondContact O-N 2.9Å; P1618-S1620 VanDerWaalsContact O-N 3.16Å; P1618-L1621 HydrophobicContact CG-CB 4.29Å; P1618-L1621 VanDerWaalsContact O-CB 3.26Å; P1618-L1621 WeakPolarHBondContact O-CB 3.34Å; P1618-L1621 PolarHBondContact O-N 3.39Å |
| 1619 | S | 66.3 | Low | 76.9 | Confident | 102 Ų | 102 | 62 Ų | 62 | 71% | 0.713 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.6 | -177.9 | 45.9 | 0 | 0 | 0 | 0 | 113.6 | L1621 R1763 | S1619-L1621 VanDerWaalsContact C-N 3.28Å; S1619-L1621 PolarHBondContact O-N 2.89Å; S1619-R1763 PolarHBondContact O-NH1 3.24Å |
| 1620 | S | 73.6 | Confident | 76.8 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21.2 | 175.1 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | P1618 S1622 | P1618-S1620 PolarHBondContact O-N 2.9Å; P1618-S1620 VanDerWaalsContact O-N 3.16Å; S1620-S1622 PolarHBondContact O-N 3.34Å |
| 1621 | L | 77 | Confident | 76.6 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.063 | 35% | 0.346 | C | S | . | . | trans | -61.7 | 124.1 | -173.7 | -167.8 | 71.4 | 0 | 0 | 0 | 110.7 | Y1541 P1617 P1618 S1619 E1625 F1626 R1763 | Y1541-L1621 HydrophobicContact CE1-CD2 4.36Å; P1617-L1621 HydrophobicContact CB-CD2 3.98Å; P1618-L1621 HydrophobicContact CG-CB 4.29Å; P1618-L1621 VanDerWaalsContact O-CB 3.26Å; P1618-L1621 WeakPolarHBondContact O-CB 3.34Å; P1618-L1621 PolarHBondContact O-N 3.39Å; S1619-L1621 VanDerWaalsContact C-N 3.28Å; S1619-L1621 PolarHBondContact O-N 2.89Å; L1621-E1625 HydrophobicContact CD1-CB 3.63Å; L1621-E1625 HydrophobicContact CD1-CG 4.45Å; L1621-E1625 HydrophobicContact CG-CB 4.11Å; L1621-F1626 HydrophobicContact CD2-CB 4.07Å; L1621-F1626 HydrophobicContact CD2-CD2 3.96Å; L1621-R1763 PolarHBondContact O-NH1 3.41Å | ||
| 1622 | S | 76.4 | Confident | 76.7 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | trans | -68.8 | 159.8 | 179 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | S1620 E1624 E1625 F1626 | S1620-S1622 PolarHBondContact O-N 3.34Å; S1622-E1624 PolarHBondContact O-N 3.23Å; S1622-E1625 VanDerWaalsContact CB-OE2 3.23Å; S1622-E1625 WeakPolarHBondContact CB-OE2 3.46Å; S1622-E1625 PolarHBondContact N-OE2 3.5Å; S1622-E1625 PolarHBondContact O-N 2.95Å; S1622-E1625 WeakPolarHBondContact OG-CB 3.4Å; S1622-E1625 VanDerWaalsContact OG-CD 3.23Å; S1622-E1625 WeakPolarHBondContact OG-CG 3.23Å; S1622-E1625 PolarHBondContact OG-N 2.75Å; S1622-E1625 VanDerWaalsContact OG-N 3.12Å; S1622-E1625 PolarHBondContact OG-OE2 3.33Å; S1622-F1626 WeakPolarHBondContact O-CB 3.44Å; S1622-F1626 PolarHBondContact O-N 3.02Å | ||
| 1623 | T | 68.4 | Low | 76.9 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -29.2 | 175.4 | 43 | 0 | 0 | 0 | 0 | 112.7 | Q1627 | T1623-Q1627 VanDerWaalsContact O-CG 3.27Å; T1623-Q1627 WeakPolarHBondContact O-CG 3.34Å; T1623-Q1627 PolarHBondContact O-N 3.39Å; T1623-Q1627 VanDerWaalsContact O-N 3.12Å |
| 1624 | E | 74 | Confident | 77.5 | Confident | 144 Ų | 144 | 63.3 Ų | 63.3 | 67% | 0.673 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.2 | -46.7 | 178.3 | -63.9 | 178.9 | -175.6 | 0 | 0 | 110.8 | S1622 F1626 Q1627 L1628 | S1622-E1624 PolarHBondContact O-N 3.23Å; E1624-F1626 VanDerWaalsContact C-N 3.31Å; E1624-F1626 PolarHBondContact O-N 2.61Å; E1624-Q1627 WeakPolarHBondContact O-CB 3.15Å; E1624-Q1627 PolarHBondContact O-N 3.43Å; E1624-Q1627 VanDerWaalsContact O-N 3.13Å; E1624-L1628 WeakPolarHBondContact O-CG 3.38Å; E1624-L1628 PolarHBondContact O-N 3.19Å |
| 1625 | E | 78.8 | Confident | 78.4 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 173.8 | -67.6 | 161.6 | 129.5 | 0 | 0 | 112.1 | L1621 S1622 Q1627 L1628 H1629 | L1621-E1625 HydrophobicContact CD1-CB 3.63Å; L1621-E1625 HydrophobicContact CD1-CG 4.45Å; L1621-E1625 HydrophobicContact CG-CB 4.11Å; S1622-E1625 VanDerWaalsContact CB-OE2 3.23Å; S1622-E1625 WeakPolarHBondContact CB-OE2 3.46Å; S1622-E1625 PolarHBondContact N-OE2 3.5Å; S1622-E1625 PolarHBondContact O-N 2.95Å; S1622-E1625 WeakPolarHBondContact OG-CB 3.4Å; S1622-E1625 VanDerWaalsContact OG-CD 3.23Å; S1622-E1625 WeakPolarHBondContact OG-CG 3.23Å; S1622-E1625 PolarHBondContact OG-N 2.75Å; S1622-E1625 VanDerWaalsContact OG-N 3.12Å; S1622-E1625 PolarHBondContact OG-OE2 3.33Å; E1625-Q1627 VanDerWaalsContact C-N 3.32Å; E1625-Q1627 PolarHBondContact O-N 2.84Å; E1625-L1628 PolarHBondContact O-N 3.14Å; E1625-H1629 PolarHBondContact O-CD2 3.42Å; E1625-H1629 VanDerWaalsContact O-CG 3.25Å; E1625-H1629 PolarHBondContact O-N 2.76Å |
| 1626 | F | 80.3 | Confident | 79.2 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.4 | -174 | -97.6 | 0 | 0 | 0 | 112.4 | P1617 L1621 S1622 E1624 H1629 E1630 I1672 R1768 | P1617-F1626 HydrophobicContact CG-CE2 4.39Å; L1621-F1626 HydrophobicContact CD2-CB 4.07Å; L1621-F1626 HydrophobicContact CD2-CD2 3.96Å; S1622-F1626 WeakPolarHBondContact O-CB 3.44Å; S1622-F1626 PolarHBondContact O-N 3.02Å; E1624-F1626 VanDerWaalsContact C-N 3.31Å; E1624-F1626 PolarHBondContact O-N 2.61Å; F1626-H1629 PolarHBondContact O-N 3.16Å; F1626-E1630 PolarHBondContact O-N 3.41Å; F1626-I1672 HydrophobicContact CE2-CD1 3.55Å; F1626-I1672 HydrophobicContact CZ-CD1 3.7Å; F1626-R1768 HydrophobicContact CE1-CG 4.22Å; F1626-R1768 HydrophobicContact CZ-CG 3.94Å |
| 1627 | Q | 76.6 | Confident | 80.2 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 173.3 | -75 | 171.5 | 15.2 | 0 | 0 | 111.9 | T1623 E1624 E1625 H1629 E1630 E1631 | T1623-Q1627 VanDerWaalsContact O-CG 3.27Å; T1623-Q1627 WeakPolarHBondContact O-CG 3.34Å; T1623-Q1627 PolarHBondContact O-N 3.39Å; T1623-Q1627 VanDerWaalsContact O-N 3.12Å; E1624-Q1627 WeakPolarHBondContact O-CB 3.15Å; E1624-Q1627 PolarHBondContact O-N 3.43Å; E1624-Q1627 VanDerWaalsContact O-N 3.13Å; E1625-Q1627 VanDerWaalsContact C-N 3.32Å; E1625-Q1627 PolarHBondContact O-N 2.84Å; Q1627-H1629 PolarHBondContact O-N 2.97Å; Q1627-E1630 WeakPolarHBondContact O-CB 3.04Å; Q1627-E1630 PolarHBondContact O-N 3.32Å; Q1627-E1630 VanDerWaalsContact O-N 3.16Å; Q1627-E1631 PolarHBondContact O-N 2.83Å |
| 1628 | L | 81.7 | Confident | 81 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | 174.3 | -68.9 | 170.8 | 0 | 0 | 0 | 112.2 | E1624 E1625 E1631 L1632 | E1624-L1628 WeakPolarHBondContact O-CG 3.38Å; E1624-L1628 PolarHBondContact O-N 3.19Å; E1625-L1628 PolarHBondContact O-N 3.14Å; L1628-E1631 PolarHBondContact O-N 2.89Å; L1628-L1632 WeakPolarHBondContact O-CB 3.49Å; L1628-L1632 PolarHBondContact O-N 3.07Å |
| 1629 | H | 87.5 | Confident | 81.7 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 171.2 | -65 | 171 | 0 | 0 | 0 | 112 | Y1541 Q1546 W1549 E1625 F1626 Q1627 L1632 D1633 | Y1541-H1629 AromaticContact CE1-CE1 3.98Å; Y1541-H1629 AromaticContact CE1-ND1 3.57Å; Q1546-H1629 PolarHBondContact NE2-CE1 2.94Å; Q1546-H1629 PolarHBondContact NE2-NE2 3.09Å; W1549-H1629 AromaticContact CH2-CD2 3.84Å; W1549-H1629 AromaticContact CH2-NE2 3.87Å; W1549-H1629 AromaticContact CZ2-CE1 3.91Å; W1549-H1629 AromaticContact CZ2-NE2 3.87Å; E1625-H1629 PolarHBondContact O-CD2 3.42Å; E1625-H1629 VanDerWaalsContact O-CG 3.25Å; E1625-H1629 PolarHBondContact O-N 2.76Å; F1626-H1629 PolarHBondContact O-N 3.16Å; Q1627-H1629 PolarHBondContact O-N 2.97Å; H1629-L1632 PolarHBondContact O-N 2.97Å; H1629-D1633 PolarHBondContact O-N 2.74Å; H1629-D1633 VanDerWaalsContact O-N 3.09Å |
| 1630 | E | 83.7 | Confident | 82.7 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 174.3 | -170.7 | 179.6 | -173.7 | 0 | 0 | 111.7 | F1626 Q1627 D1633 C1634 R1768 E1769 N1770 F1771 | F1626-E1630 PolarHBondContact O-N 3.41Å; Q1627-E1630 WeakPolarHBondContact O-CB 3.04Å; Q1627-E1630 PolarHBondContact O-N 3.32Å; Q1627-E1630 VanDerWaalsContact O-N 3.16Å; E1630-D1633 PolarHBondContact O-N 2.82Å; E1630-C1634 PolarHBondContact O-N 2.86Å; E1630-C1634 PolarHBondContact O-SG 2.83Å; E1630-R1768 HydrophobicContact CG-CB 4.42Å; E1630-R1768 VanDerWaalsContact OE1-CA 3.23Å; E1630-R1768 WeakPolarHBondContact OE1-CA 3.35Å; E1630-R1768 WeakPolarHBondContact OE1-CB 3.49Å; E1630-E1769 PolarHBondContact OE1-N 2.85Å; E1630-N1770 WeakPolarHBondContact OE1-CA 3.19Å; E1630-N1770 WeakPolarHBondContact OE1-CB 3.47Å; E1630-N1770 PolarHBondContact OE1-N 3.5Å; E1630-F1771 HydrophobicContact CG-CB 3.88Å; E1630-F1771 PolarHBondContact OE1-N 3.42Å |
| 1631 | E | 85.9 | Confident | 83.1 | Confident | 94 Ų | 94 | 44.3 Ų | 44.3 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.4 | -164.6 | -160 | 132.6 | 0 | 0 | 112 | Q1627 L1628 D1633 C1634 K1635 | Q1627-E1631 PolarHBondContact O-N 2.83Å; L1628-E1631 PolarHBondContact O-N 2.89Å; E1631-D1633 VanDerWaalsContact C-N 3.35Å; E1631-C1634 WeakPolarHBondContact O-CA 3.25Å; E1631-C1634 VanDerWaalsContact O-CB 3.29Å; E1631-C1634 WeakPolarHBondContact O-CB 3.49Å; E1631-C1634 PolarHBondContact O-N 3.27Å; E1631-C1634 VanDerWaalsContact O-N 3.17Å; E1631-K1635 WeakPolarHBondContact O-CG 3.36Å; E1631-K1635 PolarHBondContact O-N 3Å; E1631-K1635 WeakPolarHBondContact OE1-CE 3.35Å; E1631-K1635 IonicContact OE1-NZ 3.81Å; E1631-K1635 PolarHBondContact OE1-NZ 3.14Å |
| 1632 | L | 86.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 176 | -176.4 | 144.7 | 0 | 0 | 0 | 111.9 | W1549 L1550 C1553 F1610 L1628 H1629 C1634 K1635 F1636 | W1549-L1632 HydrophobicContact CZ3-CD2 4.41Å; L1550-L1632 HydrophobicContact CD2-CD1 3.86Å; C1553-L1632 HydrophobicContact CB-CD2 4.37Å; F1610-L1632 HydrophobicContact CE1-CD2 3.76Å; F1610-L1632 HydrophobicContact CE2-CD2 4.35Å; F1610-L1632 HydrophobicContact CZ-CD2 3.32Å; L1628-L1632 WeakPolarHBondContact O-CB 3.49Å; L1628-L1632 PolarHBondContact O-N 3.07Å; H1629-L1632 PolarHBondContact O-N 2.97Å; L1632-C1634 VanDerWaalsContact C-N 3.32Å; L1632-K1635 WeakPolarHBondContact O-CB 3.14Å; L1632-K1635 PolarHBondContact O-N 3.36Å; L1632-F1636 HydrophobicContact CD2-CD2 4.11Å; L1632-F1636 HydrophobicContact CD2-CE2 3.91Å; L1632-F1636 WeakPolarHBondContact O-CD2 3.39Å; L1632-F1636 PolarHBondContact O-N 2.74Å |
| 1633 | D | 87.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -33 | 172 | -69.5 | 7 | 0 | 0 | 0 | 112.2 | K1540 F1610 L1611 H1629 E1630 E1631 K1635 F1636 V1637 R1768 F1771 | K1540-D1633 IonicContact NZ-OD1 3.93Å; K1540-D1633 PolarHBondContact NZ-OD1 2.61Å; K1540-D1633 IonicContact NZ-OD2 3.51Å; K1540-D1633 PolarHBondContact NZ-OD2 3.46Å; F1610-D1633 WeakPolarHBondContact CE1-OD1 3.48Å; F1610-D1633 WeakPolarHBondContact CZ-OD1 3.4Å; L1611-D1633 HydrophobicContact CD2-CB 3.8Å; H1629-D1633 PolarHBondContact O-N 2.74Å; H1629-D1633 VanDerWaalsContact O-N 3.09Å; E1630-D1633 PolarHBondContact O-N 2.82Å; E1631-D1633 VanDerWaalsContact C-N 3.35Å; D1633-K1635 VanDerWaalsContact C-N 3.32Å; D1633-F1636 WeakPolarHBondContact O-CB 3.41Å; D1633-F1636 PolarHBondContact O-N 3.08Å; D1633-V1637 PolarHBondContact O-N 2.99Å; D1633-V1637 VanDerWaalsContact O-N 3.08Å; D1633-R1768 VanDerWaalsContact CG-NH2 3.28Å; D1633-R1768 IonicContact OD2-CZ 3.8Å; D1633-R1768 IonicContact OD2-NH1 3.59Å; D1633-R1768 PolarHBondContact OD2-NH1 3.2Å; D1633-R1768 IonicContact OD2-NH2 2.75Å; D1633-R1768 PolarHBondContact OD2-NH2 2.95Å; D1633-F1771 HydrophobicContact CB-CD2 4Å; D1633-F1771 HydrophobicContact CB-CE2 4.14Å |
| 1634 | C | 88.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 10% | 0.095 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -40 | 169.9 | -68.1 | 0 | 0 | 0 | 0 | 111.2 | E1630 E1631 L1632 F1636 V1637 D1638 L1774 | E1630-C1634 PolarHBondContact O-N 2.86Å; E1630-C1634 PolarHBondContact O-SG 2.83Å; E1631-C1634 WeakPolarHBondContact O-CA 3.25Å; E1631-C1634 VanDerWaalsContact O-CB 3.29Å; E1631-C1634 WeakPolarHBondContact O-CB 3.49Å; E1631-C1634 PolarHBondContact O-N 3.27Å; E1631-C1634 VanDerWaalsContact O-N 3.17Å; L1632-C1634 VanDerWaalsContact C-N 3.32Å; C1634-F1636 VanDerWaalsContact C-N 3.28Å; C1634-F1636 PolarHBondContact O-N 2.9Å; C1634-V1637 CarbonylContact O-C 3.58Å; C1634-V1637 WeakPolarHBondContact O-CA 3.29Å; C1634-V1637 WeakPolarHBondContact O-CB 3.24Å; C1634-V1637 PolarHBondContact O-N 3.15Å; C1634-D1638 PolarHBondContact O-N 3.28Å; C1634-L1774 HydrophobicContact CB-CD2 3.48Å; C1634-L1774 VanDerWaalsContact CB-CD2 3.48Å |
| 1635 | K | 89.3 | Confident | 84.6 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -31.2 | 174.1 | -68.8 | 167.1 | -172.9 | 164.9 | 0 | 113.2 | F1557 E1631 L1632 D1633 L1639 | F1557-K1635 HydrophobicContact CZ-CB 4.1Å; E1631-K1635 WeakPolarHBondContact O-CG 3.36Å; E1631-K1635 PolarHBondContact O-N 3Å; E1631-K1635 WeakPolarHBondContact OE1-CE 3.35Å; E1631-K1635 IonicContact OE1-NZ 3.81Å; E1631-K1635 PolarHBondContact OE1-NZ 3.14Å; L1632-K1635 WeakPolarHBondContact O-CB 3.14Å; L1632-K1635 PolarHBondContact O-N 3.36Å; D1633-K1635 VanDerWaalsContact C-N 3.32Å; K1635-L1639 WeakPolarHBondContact O-CB 3.43Å; K1635-L1639 PolarHBondContact O-N 3.29Å |
| 1636 | F | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | 169 | -86.7 | -82.3 | 0 | 0 | 0 | 112.2 | M1537 C1553 F1556 F1557 I1607 F1610 L1611 L1632 D1633 C1634 L1639 I1640 | M1537-F1636 HydrophobicContact CE-CE1 3.85Å; M1537-F1636 HydrophobicContact CE-CZ 3.67Å; C1553-F1636 HydrophobicContact CB-CE2 3.92Å; C1553-F1636 HydrophobicContact CB-CZ 4.02Å; F1556-F1636 AromaticContact CD1-CE1 3.77Å; F1556-F1636 HydrophobicContact CD1-CE1 3.77Å; F1556-F1636 HydrophobicContact CD1-CZ 4.24Å; F1556-F1636 AromaticContact CE1-CE1 3.8Å; F1556-F1636 HydrophobicContact CE1-CE1 3.8Å; F1557-F1636 HydrophobicContact CD2-CZ 4.45Å; F1557-F1636 AromaticContact CE2-CD2 3.92Å; F1557-F1636 HydrophobicContact CE2-CD2 3.92Å; F1557-F1636 HydrophobicContact CE2-CE1 4.28Å; F1557-F1636 AromaticContact CE2-CE2 3.51Å; F1557-F1636 HydrophobicContact CE2-CE2 3.51Å; F1557-F1636 HydrophobicContact CE2-CG 4.47Å; F1557-F1636 AromaticContact CE2-CZ 3.71Å; F1557-F1636 HydrophobicContact CE2-CZ 3.71Å; F1557-F1636 HydrophobicContact CZ-CD1 4.05Å; F1557-F1636 AromaticContact CZ-CD2 3.67Å; F1557-F1636 HydrophobicContact CZ-CD2 3.67Å; F1557-F1636 HydrophobicContact CZ-CE1 4.11Å; F1557-F1636 AromaticContact CZ-CE2 3.74Å; F1557-F1636 HydrophobicContact CZ-CE2 3.74Å; F1557-F1636 AromaticContact CZ-CG 3.84Å; F1557-F1636 HydrophobicContact CZ-CG 3.84Å; F1557-F1636 AromaticContact CZ-CZ 3.95Å; F1557-F1636 HydrophobicContact CZ-CZ 3.95Å; I1607-F1636 HydrophobicContact CG1-CD1 4.2Å; I1607-F1636 HydrophobicContact CG1-CE1 4.3Å; I1607-F1636 HydrophobicContact CG2-CD1 4.45Å; F1610-F1636 AromaticContact CD1-CD2 3.7Å; F1610-F1636 HydrophobicContact CD1-CD2 3.7Å; F1610-F1636 AromaticContact CD1-CE2 3.65Å; F1610-F1636 HydrophobicContact CD1-CE2 3.65Å; F1610-F1636 HydrophobicContact CD1-CG 4.17Å; F1610-F1636 HydrophobicContact CD1-CZ 4.11Å; F1610-F1636 AromaticContact CE1-CD2 3.37Å; F1610-F1636 HydrophobicContact CE1-CD2 3.37Å; F1610-F1636 AromaticContact CE1-CE2 3.41Å; F1610-F1636 HydrophobicContact CE1-CE2 3.41Å; F1610-F1636 VanDerWaalsContact CE1-CE2 3.41Å; F1610-F1636 HydrophobicContact CE1-CG 4.22Å; F1610-F1636 HydrophobicContact CE1-CZ 4.3Å; F1610-F1636 HydrophobicContact CG-CE2 4.48Å; F1610-F1636 HydrophobicContact CZ-CD2 4.35Å; F1610-F1636 HydrophobicContact CZ-CE2 4.09Å; L1611-F1636 HydrophobicContact CD2-CB 3.96Å; L1611-F1636 HydrophobicContact CG-CB 4.46Å; L1632-F1636 HydrophobicContact CD2-CD2 4.11Å; L1632-F1636 HydrophobicContact CD2-CE2 3.91Å; L1632-F1636 WeakPolarHBondContact O-CD2 3.39Å; L1632-F1636 PolarHBondContact O-N 2.74Å; D1633-F1636 WeakPolarHBondContact O-CB 3.41Å; D1633-F1636 PolarHBondContact O-N 3.08Å; C1634-F1636 VanDerWaalsContact C-N 3.28Å; C1634-F1636 PolarHBondContact O-N 2.9Å; F1636-L1639 PolarHBondContact O-N 2.9Å; F1636-I1640 VanDerWaalsContact O-CG1 3.25Å; F1636-I1640 WeakPolarHBondContact O-CG1 3.31Å; F1636-I1640 PolarHBondContact O-N 3.38Å |
| 1637 | V | 88.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 173.2 | 167.2 | 0 | 0 | 0 | 0 | 111.7 | D1633 C1634 I1640 S1641 L1663 F1771 L1774 C1775 K1778 | D1633-V1637 PolarHBondContact O-N 2.99Å; D1633-V1637 VanDerWaalsContact O-N 3.08Å; C1634-V1637 CarbonylContact O-C 3.58Å; C1634-V1637 WeakPolarHBondContact O-CA 3.29Å; C1634-V1637 WeakPolarHBondContact O-CB 3.24Å; C1634-V1637 PolarHBondContact O-N 3.15Å; V1637-I1640 PolarHBondContact O-N 3.32Å; V1637-S1641 PolarHBondContact O-N 3.19Å; V1637-L1663 HydrophobicContact CB-CD2 4.34Å; V1637-L1663 HydrophobicContact CG1-CD2 3.74Å; V1637-L1663 HydrophobicContact CG2-CD2 4.17Å; V1637-F1771 HydrophobicContact CG2-CD2 4.11Å; V1637-F1771 HydrophobicContact CG2-CE2 3.61Å; V1637-L1774 HydrophobicContact CB-CD2 4.18Å; V1637-L1774 HydrophobicContact CG1-CD2 3.92Å; V1637-L1774 HydrophobicContact CG1-CG 3.88Å; V1637-C1775 VanDerWaalsContact CG2-SG 3.6Å; V1637-K1778 HydrophobicContact CG1-CG 4.2Å |
| 1638 | D | 88.7 | Confident | 83.1 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 172.7 | -69.9 | -46.3 | 0 | 0 | 0 | 111.2 | C1634 I1640 S1641 D1642 K1778 | C1634-D1638 PolarHBondContact O-N 3.28Å; D1638-I1640 VanDerWaalsContact C-N 3.33Å; D1638-I1640 PolarHBondContact O-N 3.28Å; D1638-S1641 PolarHBondContact O-N 3.09Å; D1638-D1642 VanDerWaalsContact O-CB 3.25Å; D1638-D1642 WeakPolarHBondContact O-CB 3.42Å; D1638-D1642 PolarHBondContact O-N 3.09Å; D1638-K1778 WeakPolarHBondContact OD1-CE 3.48Å; D1638-K1778 IonicContact OD1-NZ 3.45Å; D1638-K1778 PolarHBondContact OD1-NZ 3.38Å |
| 1639 | L | 85.5 | Confident | 82.3 | Confident | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 173 | 174.3 | 147.9 | 0 | 0 | 0 | 112.4 | F1557 I1607 K1635 F1636 S1641 L1643 F1644 | F1557-L1639 HydrophobicContact CD1-CD1 3.43Å; F1557-L1639 VanDerWaalsContact CD1-CD1 3.43Å; F1557-L1639 HydrophobicContact CE1-CB 3.88Å; F1557-L1639 HydrophobicContact CE1-CD1 3.55Å; F1557-L1639 HydrophobicContact CE1-CG 4.32Å; I1607-L1639 HydrophobicContact CD1-CD2 4.27Å; K1635-L1639 WeakPolarHBondContact O-CB 3.43Å; K1635-L1639 PolarHBondContact O-N 3.29Å; F1636-L1639 PolarHBondContact O-N 2.9Å; L1639-S1641 VanDerWaalsContact C-N 3.35Å; L1639-S1641 PolarHBondContact O-N 2.94Å; L1639-L1643 HydrophobicContact CD1-CD2 3.97Å; L1639-L1643 HydrophobicContact CG-CB 4.11Å; L1639-L1643 HydrophobicContact CG-CD2 3.95Å; L1639-L1643 WeakPolarHBondContact O-CA 3.41Å; L1639-L1643 WeakPolarHBondContact O-CB 3.47Å; L1639-L1643 PolarHBondContact O-N 2.89Å; L1639-F1644 HydrophobicContact CD2-CD2 3.98Å; L1639-F1644 HydrophobicContact CD2-CE2 3.42Å; L1639-F1644 VanDerWaalsContact CD2-CE2 3.42Å; L1639-F1644 HydrophobicContact CD2-CZ 4.07Å; L1639-F1644 PolarHBondContact O-N 3.48Å |
| 1640 | I | 86.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -59.5 | -48 | 174.9 | -69 | 166.7 | 0 | 0 | 0 | 110.6 | I1607 L1611 F1636 V1637 D1638 F1644 L1645 L1659 L1663 | I1607-I1640 HydrophobicContact CG2-CD1 3.86Å; I1607-I1640 HydrophobicContact CG2-CG1 4.33Å; L1611-I1640 HydrophobicContact CD1-CD1 4.05Å; F1636-I1640 VanDerWaalsContact O-CG1 3.25Å; F1636-I1640 WeakPolarHBondContact O-CG1 3.31Å; F1636-I1640 PolarHBondContact O-N 3.38Å; V1637-I1640 PolarHBondContact O-N 3.32Å; D1638-I1640 VanDerWaalsContact C-N 3.33Å; D1638-I1640 PolarHBondContact O-N 3.28Å; I1640-F1644 WeakPolarHBondContact O-CB 3.36Å; I1640-F1644 PolarHBondContact O-N 3.32Å; I1640-L1645 HydrophobicContact CG2-CD1 3.99Å; I1640-L1645 HydrophobicContact CG2-CG 4.27Å; I1640-L1645 WeakPolarHBondContact O-CG 3.46Å; I1640-L1645 PolarHBondContact O-N 2.82Å; I1640-L1659 HydrophobicContact CD1-CD2 4.36Å; I1640-L1659 HydrophobicContact CG1-CD2 4.01Å; I1640-L1659 HydrophobicContact CG2-CB 3.95Å; I1640-L1659 HydrophobicContact CG2-CD1 4.27Å; I1640-L1659 HydrophobicContact CG2-CD2 4.12Å; I1640-L1659 HydrophobicContact CG2-CG 4.34Å; I1640-L1663 HydrophobicContact CD1-CD2 4.41Å; I1640-L1663 HydrophobicContact CG2-CD1 4.08Å; I1640-L1663 HydrophobicContact CG2-CD2 4.17Å; I1640-L1663 HydrophobicContact CG2-CG 4.09Å |
| 1641 | S | 82.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -65.8 | -54.3 | -179.6 | 171.7 | 0 | 0 | 0 | 0 | 112 | V1637 D1638 L1639 L1645 S1646 H1782 | V1637-S1641 PolarHBondContact O-N 3.19Å; D1638-S1641 PolarHBondContact O-N 3.09Å; L1639-S1641 VanDerWaalsContact C-N 3.35Å; L1639-S1641 PolarHBondContact O-N 2.94Å; S1641-L1645 CarbonylContact O-C 3.59Å; S1641-L1645 WeakPolarHBondContact O-CB 3.24Å; S1641-L1645 PolarHBondContact O-N 3.47Å; S1641-S1646 PolarHBondContact O-N 3.34Å; S1641-S1646 PolarHBondContact O-OG 3.47Å; S1641-S1646 VanDerWaalsContact O-OG 3.08Å; S1641-H1782 PolarHBondContact OG-NE2 3.2Å; S1641-H1782 VanDerWaalsContact OG-NE2 3.09Å |
| 1642 | D | 82.9 | Confident | 80.4 | Confident | 87 Ų | 87 | 38.2 Ų | 38.2 | 47% | 0.465 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -94.6 | -25.8 | -157.5 | -52.5 | -12.9 | 0 | 0 | 0 | 111.3 | D1638 K1778 | D1638-D1642 VanDerWaalsContact O-CB 3.25Å; D1638-D1642 WeakPolarHBondContact O-CB 3.42Å; D1638-D1642 PolarHBondContact O-N 3.09Å; D1642-K1778 VanDerWaalsContact CG-NZ 3.33Å; D1642-K1778 IonicContact OD1-NZ 3.72Å; D1642-K1778 PolarHBondContact OD1-NZ 2.97Å; D1642-K1778 IonicContact OD2-NZ 3.79Å; D1642-K1778 PolarHBondContact OD2-NZ 3.19Å |
| 1643 | L | 80.8 | Confident | 79.6 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -93.6 | -41.9 | 175.4 | -159.1 | 70.9 | 0 | 0 | 0 | 112.7 | I1560 I1564 L1639 | I1560-L1643 HydrophobicContact CG2-CD2 3.78Å; I1564-L1643 HydrophobicContact CD1-CD1 3.52Å; I1564-L1643 HydrophobicContact CD1-CD2 3.82Å; I1564-L1643 HydrophobicContact CD1-CG 3.62Å; L1639-L1643 HydrophobicContact CD1-CD2 3.97Å; L1639-L1643 HydrophobicContact CG-CB 4.11Å; L1639-L1643 HydrophobicContact CG-CD2 3.95Å; L1639-L1643 WeakPolarHBondContact O-CA 3.41Å; L1639-L1643 WeakPolarHBondContact O-CB 3.47Å; L1639-L1643 PolarHBondContact O-N 2.89Å |
| 1644 | F | 83.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -101.3 | -54.4 | -174.7 | -59.3 | -45.6 | 0 | 0 | 0 | 113.5 | I1560 I1603 I1607 L1639 I1640 S1646 N1647 L1651 F1655 L1659 | I1560-F1644 HydrophobicContact CG2-CZ 4.25Å; I1603-F1644 HydrophobicContact CG2-CE2 4.37Å; I1603-F1644 HydrophobicContact CG2-CZ 4.04Å; I1607-F1644 HydrophobicContact CD1-CE2 3.95Å; L1639-F1644 HydrophobicContact CD2-CD2 3.98Å; L1639-F1644 HydrophobicContact CD2-CE2 3.42Å; L1639-F1644 VanDerWaalsContact CD2-CE2 3.42Å; L1639-F1644 HydrophobicContact CD2-CZ 4.07Å; L1639-F1644 PolarHBondContact O-N 3.48Å; I1640-F1644 WeakPolarHBondContact O-CB 3.36Å; I1640-F1644 PolarHBondContact O-N 3.32Å; F1644-S1646 PolarHBondContact O-N 3.43Å; F1644-N1647 PolarHBondContact O-N 3.13Å; F1644-L1651 HydrophobicContact CB-CD1 3.8Å; F1644-L1651 HydrophobicContact CD1-CD1 4.09Å; F1644-L1651 HydrophobicContact CG-CD1 4.35Å; F1644-L1651 VanDerWaalsContact O-CD1 3.31Å; F1644-L1651 WeakPolarHBondContact O-CD1 3.34Å; F1644-F1655 HydrophobicContact CB-CE1 4.14Å; F1644-F1655 AromaticContact CD1-CE1 3.85Å; F1644-F1655 HydrophobicContact CD1-CE1 3.85Å; F1644-F1655 HydrophobicContact CD1-CZ 4.09Å; F1644-F1655 HydrophobicContact CD2-CE1 4.05Å; F1644-F1655 HydrophobicContact CD2-CZ 4.07Å; F1644-F1655 HydrophobicContact CE1-CE1 4.23Å; F1644-F1655 AromaticContact CE1-CZ 4Å; F1644-F1655 HydrophobicContact CE1-CZ 4Å; F1644-F1655 HydrophobicContact CE2-CE1 4.41Å; F1644-F1655 AromaticContact CE2-CZ 3.97Å; F1644-F1655 HydrophobicContact CE2-CZ 3.97Å; F1644-F1655 AromaticContact CG-CE1 3.76Å; F1644-F1655 HydrophobicContact CG-CE1 3.76Å; F1644-F1655 HydrophobicContact CG-CZ 4.14Å; F1644-F1655 AromaticContact CZ-CZ 3.95Å; F1644-F1655 HydrophobicContact CZ-CZ 3.95Å; F1644-L1659 HydrophobicContact CB-CD1 3.57Å; F1644-L1659 HydrophobicContact CD2-CD1 3.7Å; F1644-L1659 HydrophobicContact CG-CD1 3.93Å |
| 1645 | L | 79.4 | Confident | 78.8 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -74.8 | -23.2 | -174.1 | -64 | 177.7 | 0 | 0 | 0 | 113.8 | I1640 S1641 N1647 P1648 I1656 L1659 I1660 L1663 | I1640-L1645 HydrophobicContact CG2-CD1 3.99Å; I1640-L1645 HydrophobicContact CG2-CG 4.27Å; I1640-L1645 WeakPolarHBondContact O-CG 3.46Å; I1640-L1645 PolarHBondContact O-N 2.82Å; S1641-L1645 CarbonylContact O-C 3.59Å; S1641-L1645 WeakPolarHBondContact O-CB 3.24Å; S1641-L1645 PolarHBondContact O-N 3.47Å; L1645-N1647 VanDerWaalsContact C-N 3.28Å; L1645-N1647 PolarHBondContact O-N 3.18Å; L1645-P1648 WeakPolarHBondContact O-CD 3.4Å; L1645-I1656 HydrophobicContact CD2-CG2 3.95Å; L1645-L1659 HydrophobicContact CD2-CB 4.43Å; L1645-I1660 HydrophobicContact CD1-CG1 4.46Å; L1645-I1660 HydrophobicContact CD2-CG1 4.16Å; L1645-L1663 HydrophobicContact CD1-CD1 3.65Å |
| 1646 | S | 72.8 | Confident | 78.3 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.8 | 174.8 | -69.2 | 0 | 0 | 0 | 0 | 114.4 | S1641 F1644 | S1641-S1646 PolarHBondContact O-N 3.34Å; S1641-S1646 PolarHBondContact O-OG 3.47Å; S1641-S1646 VanDerWaalsContact O-OG 3.08Å; F1644-S1646 PolarHBondContact O-N 3.43Å |
| 1647 | N | 70.6 | Confident | 77.7 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | trans | -136.1 | 66.6 | 176 | -168.7 | 5.9 | 0 | 0 | 0 | 111.8 | F1644 L1645 A1649 | F1644-N1647 PolarHBondContact O-N 3.13Å; L1645-N1647 VanDerWaalsContact C-N 3.28Å; L1645-N1647 PolarHBondContact O-N 3.18Å; N1647-A1649 PolarHBondContact O-N 2.85Å; N1647-A1649 VanDerWaalsContact O-N 3.16Å | ||
| 1648 | P | 62.1 | Low | 77.4 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 13% | 0.13 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -70.4 | -15.3 | -171.1 | 29.8 | -34.3 | 0 | 0 | 0 | 113.1 | L1645 Q1650 L1651 I1656 F1822 | L1645-P1648 WeakPolarHBondContact O-CD 3.4Å; P1648-Q1650 PolarHBondContact O-N 3.49Å; P1648-Q1650 VanDerWaalsContact O-N 3.14Å; P1648-L1651 PolarHBondContact O-N 2.92Å; P1648-I1656 HydrophobicContact CB-CD1 3.77Å; P1648-I1656 WeakPolarHBondContact O-CD1 3.47Å; P1648-F1822 HydrophobicContact CB-CB 4.09Å; P1648-F1822 HydrophobicContact CB-CD1 4.22Å; P1648-F1822 HydrophobicContact CB-CG 4.43Å; P1648-F1822 HydrophobicContact CG-CB 3.92Å |
| 1649 | A | 64.4 | Low | 77.2 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 48% | 0.479 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -67.2 | -14.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1647 | N1647-A1649 PolarHBondContact O-N 2.85Å; N1647-A1649 VanDerWaalsContact O-N 3.16Å |
| 1650 | Q | 66.1 | Low | 77 | Confident | 125 Ų | 125 | 43.8 Ų | 43.8 | 58% | 0.584 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -102.7 | -8.5 | 179.1 | -61.1 | -173.7 | 1.7 | 0 | 0 | 113.5 | P1648 | P1648-Q1650 PolarHBondContact O-N 3.49Å; P1648-Q1650 VanDerWaalsContact O-N 3.14Å |
| 1651 | L | 75.2 | Confident | 76.7 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -108.2 | 147.6 | -168.6 | -66.5 | 168.8 | 0 | 0 | 0 | 112.1 | F1644 P1648 F1655 I1656 | F1644-L1651 HydrophobicContact CB-CD1 3.8Å; F1644-L1651 HydrophobicContact CD1-CD1 4.09Å; F1644-L1651 HydrophobicContact CG-CD1 4.35Å; F1644-L1651 VanDerWaalsContact O-CD1 3.31Å; F1644-L1651 WeakPolarHBondContact O-CD1 3.34Å; P1648-L1651 PolarHBondContact O-N 2.92Å; L1651-F1655 HydrophobicContact CB-CD1 4.19Å; L1651-F1655 HydrophobicContact CD1-CD1 4.12Å; L1651-F1655 HydrophobicContact CD1-CE1 3.97Å; L1651-F1655 HydrophobicContact CD2-CD1 4.1Å; L1651-F1655 HydrophobicContact CD2-CE1 3.93Å; L1651-F1655 HydrophobicContact CG-CD1 4.38Å; L1651-F1655 HydrophobicContact CG-CE1 4.44Å; L1651-I1656 HydrophobicContact CB-CD1 4.09Å; L1651-I1656 HydrophobicContact CB-CG1 4.05Å |
| 1652 | P | 76 | Confident | 76.8 | Confident | 43 Ų | 43 | 47.8 Ų | 47.8 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | trans | -61.7 | 141.3 | 175.7 | -24.1 | 34.9 | 0 | 0 | 0 | 113.1 | F1654 F1655 I1656 | P1652-F1654 VanDerWaalsContact C-N 3.27Å; P1652-F1654 HydrophobicContact CB-CD1 3.43Å; P1652-F1654 VanDerWaalsContact CB-CD1 3.43Å; P1652-F1654 HydrophobicContact CB-CE1 3.42Å; P1652-F1654 VanDerWaalsContact CB-CE1 3.42Å; P1652-F1654 HydrophobicContact CG-CD1 4.4Å; P1652-F1654 HydrophobicContact CG-CE1 3.9Å; P1652-F1654 PolarHBondContact O-N 3.32Å; P1652-F1655 HydrophobicContact CB-CB 4.24Å; P1652-F1655 VanDerWaalsContact O-CB 3.27Å; P1652-F1655 WeakPolarHBondContact O-CB 3.27Å; P1652-F1655 PolarHBondContact O-N 2.99Å; P1652-I1656 PolarHBondContact O-N 3.16Å | ||
| 1653 | E | 68.6 | Low | 76.8 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -55.4 | -38.8 | 179.3 | -72 | 175.4 | -174 | 0 | 0 | 113.5 | F1655 I1656 S1657 F1822 | E1653-F1655 VanDerWaalsContact C-N 3.27Å; E1653-F1655 PolarHBondContact O-N 3.47Å; E1653-I1656 PolarHBondContact O-N 3.23Å; E1653-S1657 VanDerWaalsContact O-CB 3.29Å; E1653-S1657 WeakPolarHBondContact O-CB 3.41Å; E1653-S1657 PolarHBondContact O-N 3.14Å; E1653-F1822 HydrophobicContact CG-CE1 3.66Å; E1653-F1822 HydrophobicContact CG-CZ 3.78Å |
| 1654 | F | 80 | Confident | 76.5 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -35.2 | 177.9 | 89.3 | -86.4 | 0 | 0 | 0 | 112.2 | H1597 C1600 P1652 R1658 | H1597-F1654 AromaticContact CE1-CD1 3.45Å; H1597-F1654 VanDerWaalsContact CE1-CD1 3.45Å; H1597-F1654 WeakPolarHBondContact CE1-CD1 3.15Å; H1597-F1654 AromaticContact CE1-CE1 3.24Å; H1597-F1654 WeakPolarHBondContact CE1-CE1 3.42Å; H1597-F1654 AromaticContact CE1-CZ 3.66Å; H1597-F1654 AromaticContact ND1-CD1 3.71Å; H1597-F1654 AromaticContact ND1-CE1 3.16Å; H1597-F1654 WeakPolarHBondContact ND1-CE1 3.29Å; H1597-F1654 AromaticContact ND1-CZ 3.75Å; C1600-F1654 HydrophobicContact CB-CZ 4.01Å; P1652-F1654 VanDerWaalsContact C-N 3.27Å; P1652-F1654 HydrophobicContact CB-CD1 3.43Å; P1652-F1654 VanDerWaalsContact CB-CD1 3.43Å; P1652-F1654 HydrophobicContact CB-CE1 3.42Å; P1652-F1654 VanDerWaalsContact CB-CE1 3.42Å; P1652-F1654 HydrophobicContact CG-CD1 4.4Å; P1652-F1654 HydrophobicContact CG-CE1 3.9Å; P1652-F1654 PolarHBondContact O-N 3.32Å; F1654-R1658 WeakPolarHBondContact O-CB 3.31Å; F1654-R1658 PolarHBondContact O-N 2.94Å |
| 1655 | F | 80.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -52.1 | -179.6 | -177.6 | -94.1 | 0 | 0 | 0 | 109 | C1600 I1603 V1604 F1644 L1651 P1652 E1653 S1657 R1658 L1659 | C1600-F1655 HydrophobicContact CB-CD2 3.8Å; C1600-F1655 HydrophobicContact CB-CE2 4.18Å; C1600-F1655 WeakPolarHBondContact O-CD2 3.44Å; C1600-F1655 WeakPolarHBondContact O-CE2 3.46Å; I1603-F1655 HydrophobicContact CB-CE2 4.32Å; I1603-F1655 HydrophobicContact CG2-CE2 4.03Å; I1603-F1655 HydrophobicContact CG2-CZ 4.13Å; V1604-F1655 HydrophobicContact CG2-CD2 3.17Å; V1604-F1655 HydrophobicContact CG2-CE2 3.26Å; V1604-F1655 HydrophobicContact CG2-CG 4.05Å; V1604-F1655 HydrophobicContact CG2-CZ 4.2Å; F1644-F1655 HydrophobicContact CB-CE1 4.14Å; F1644-F1655 AromaticContact CD1-CE1 3.85Å; F1644-F1655 HydrophobicContact CD1-CE1 3.85Å; F1644-F1655 HydrophobicContact CD1-CZ 4.09Å; F1644-F1655 HydrophobicContact CD2-CE1 4.05Å; F1644-F1655 HydrophobicContact CD2-CZ 4.07Å; F1644-F1655 HydrophobicContact CE1-CE1 4.23Å; F1644-F1655 AromaticContact CE1-CZ 4Å; F1644-F1655 HydrophobicContact CE1-CZ 4Å; F1644-F1655 HydrophobicContact CE2-CE1 4.41Å; F1644-F1655 AromaticContact CE2-CZ 3.97Å; F1644-F1655 HydrophobicContact CE2-CZ 3.97Å; F1644-F1655 AromaticContact CG-CE1 3.76Å; F1644-F1655 HydrophobicContact CG-CE1 3.76Å; F1644-F1655 HydrophobicContact CG-CZ 4.14Å; F1644-F1655 AromaticContact CZ-CZ 3.95Å; F1644-F1655 HydrophobicContact CZ-CZ 3.95Å; L1651-F1655 HydrophobicContact CB-CD1 4.19Å; L1651-F1655 HydrophobicContact CD1-CD1 4.12Å; L1651-F1655 HydrophobicContact CD1-CE1 3.97Å; L1651-F1655 HydrophobicContact CD2-CD1 4.1Å; L1651-F1655 HydrophobicContact CD2-CE1 3.93Å; L1651-F1655 HydrophobicContact CG-CD1 4.38Å; L1651-F1655 HydrophobicContact CG-CE1 4.44Å; P1652-F1655 HydrophobicContact CB-CB 4.24Å; P1652-F1655 VanDerWaalsContact O-CB 3.27Å; P1652-F1655 WeakPolarHBondContact O-CB 3.27Å; P1652-F1655 PolarHBondContact O-N 2.99Å; E1653-F1655 VanDerWaalsContact C-N 3.27Å; E1653-F1655 PolarHBondContact O-N 3.47Å; F1655-S1657 PolarHBondContact O-N 3.48Å; F1655-R1658 PolarHBondContact O-N 2.82Å; F1655-L1659 HydrophobicContact CD1-CD1 3.77Å; F1655-L1659 HydrophobicContact CD1-CG 4.38Å; F1655-L1659 HydrophobicContact CE1-CD1 3.48Å; F1655-L1659 VanDerWaalsContact CE1-CD1 3.48Å; F1655-L1659 HydrophobicContact CE1-CG 4.33Å; F1655-L1659 HydrophobicContact CZ-CD1 4.15Å; F1655-L1659 WeakPolarHBondContact O-CG 3.33Å; F1655-L1659 PolarHBondContact O-N 2.91Å |
| 1656 | I | 79.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -48.5 | 176.2 | -62.1 | 163.5 | 0 | 0 | 0 | 111.2 | L1645 P1648 L1651 P1652 E1653 R1658 L1659 I1660 F1822 M1825 V1826 | L1645-I1656 HydrophobicContact CD2-CG2 3.95Å; P1648-I1656 HydrophobicContact CB-CD1 3.77Å; P1648-I1656 WeakPolarHBondContact O-CD1 3.47Å; L1651-I1656 HydrophobicContact CB-CD1 4.09Å; L1651-I1656 HydrophobicContact CB-CG1 4.05Å; P1652-I1656 PolarHBondContact O-N 3.16Å; E1653-I1656 PolarHBondContact O-N 3.23Å; I1656-R1658 VanDerWaalsContact C-N 3.33Å; I1656-R1658 PolarHBondContact O-N 3.14Å; I1656-L1659 PolarHBondContact O-N 3.16Å; I1656-I1660 HydrophobicContact CG2-CD1 4.03Å; I1656-I1660 WeakPolarHBondContact O-CG1 3.5Å; I1656-I1660 PolarHBondContact O-N 2.9Å; I1656-F1822 HydrophobicContact CD1-CD1 3.69Å; I1656-F1822 HydrophobicContact CD1-CE1 3.69Å; I1656-M1825 HydrophobicContact CB-CE 4.38Å; I1656-M1825 HydrophobicContact CG2-CE 4.02Å; I1656-V1826 HydrophobicContact CG2-CG2 3.97Å |
| 1657 | S | 77.4 | Confident | 76 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 40% | 0.399 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.6 | -44 | 178.3 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | E1653 F1655 I1660 N1661 | E1653-S1657 VanDerWaalsContact O-CB 3.29Å; E1653-S1657 WeakPolarHBondContact O-CB 3.41Å; E1653-S1657 PolarHBondContact O-N 3.14Å; F1655-S1657 PolarHBondContact O-N 3.48Å; S1657-I1660 PolarHBondContact O-N 3.13Å; S1657-N1661 PolarHBondContact O-N 3.42Å; S1657-N1661 VanDerWaalsContact O-N 3.1Å; S1657-N1661 PolarHBondContact O-ND2 3.07Å |
| 1658 | R | 82.2 | Confident | 75.5 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 27% | 0.272 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 178.4 | -162 | 166.7 | 172.8 | -164.8 | -5.4 | 111.9 | V1604 D1605 Q1608 F1654 F1655 I1656 N1661 L1662 | V1604-R1658 HydrophobicContact CG1-CB 4.12Å; V1604-R1658 HydrophobicContact CG1-CG 3.65Å; D1605-R1658 IonicContact OD1-CZ 3.84Å; D1605-R1658 IonicContact OD1-NH1 3.56Å; D1605-R1658 PolarHBondContact OD1-NH1 3.3Å; D1605-R1658 IonicContact OD1-NH2 2.61Å; D1605-R1658 PolarHBondContact OD1-NH2 3.18Å; Q1608-R1658 VanDerWaalsContact OE1-CZ 3.27Å; F1654-R1658 WeakPolarHBondContact O-CB 3.31Å; F1654-R1658 PolarHBondContact O-N 2.94Å; F1655-R1658 PolarHBondContact O-N 2.82Å; I1656-R1658 VanDerWaalsContact C-N 3.33Å; I1656-R1658 PolarHBondContact O-N 3.14Å; R1658-N1661 WeakPolarHBondContact O-CB 3.41Å; R1658-N1661 PolarHBondContact O-N 3.23Å; R1658-L1662 WeakPolarHBondContact O-CG 3.43Å; R1658-L1662 PolarHBondContact O-N 2.88Å |
| 1659 | L | 85.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.8 | -71.4 | -177.4 | 0 | 0 | 0 | 113 | V1604 I1640 F1644 L1645 F1655 I1656 N1661 L1662 L1663 | V1604-L1659 HydrophobicContact CG2-CD2 4.48Å; I1640-L1659 HydrophobicContact CD1-CD2 4.36Å; I1640-L1659 HydrophobicContact CG1-CD2 4.01Å; I1640-L1659 HydrophobicContact CG2-CB 3.95Å; I1640-L1659 HydrophobicContact CG2-CD1 4.27Å; I1640-L1659 HydrophobicContact CG2-CD2 4.12Å; I1640-L1659 HydrophobicContact CG2-CG 4.34Å; F1644-L1659 HydrophobicContact CB-CD1 3.57Å; F1644-L1659 HydrophobicContact CD2-CD1 3.7Å; F1644-L1659 HydrophobicContact CG-CD1 3.93Å; L1645-L1659 HydrophobicContact CD2-CB 4.43Å; F1655-L1659 HydrophobicContact CD1-CD1 3.77Å; F1655-L1659 HydrophobicContact CD1-CG 4.38Å; F1655-L1659 HydrophobicContact CE1-CD1 3.48Å; F1655-L1659 VanDerWaalsContact CE1-CD1 3.48Å; F1655-L1659 HydrophobicContact CE1-CG 4.33Å; F1655-L1659 HydrophobicContact CZ-CD1 4.15Å; F1655-L1659 WeakPolarHBondContact O-CG 3.33Å; F1655-L1659 PolarHBondContact O-N 2.91Å; I1656-L1659 PolarHBondContact O-N 3.16Å; L1659-N1661 VanDerWaalsContact C-N 3.29Å; L1659-N1661 PolarHBondContact O-N 3.02Å; L1659-L1662 HydrophobicContact CD2-CD1 4.28Å; L1659-L1662 WeakPolarHBondContact O-CB 3.35Å; L1659-L1662 PolarHBondContact O-N 3.11Å; L1659-L1662 VanDerWaalsContact O-N 3.11Å; L1659-L1663 PolarHBondContact O-N 3.33Å |
| 1660 | I | 81.3 | Confident | 75.3 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 175.7 | -63.7 | 166.3 | 0 | 0 | 0 | 110.8 | L1645 I1656 S1657 L1662 L1663 S1664 V1826 A1829 | L1645-I1660 HydrophobicContact CD1-CG1 4.46Å; L1645-I1660 HydrophobicContact CD2-CG1 4.16Å; I1656-I1660 HydrophobicContact CG2-CD1 4.03Å; I1656-I1660 WeakPolarHBondContact O-CG1 3.5Å; I1656-I1660 PolarHBondContact O-N 2.9Å; S1657-I1660 PolarHBondContact O-N 3.13Å; I1660-L1662 VanDerWaalsContact C-N 3.32Å; I1660-L1662 PolarHBondContact O-N 3.23Å; I1660-L1663 PolarHBondContact O-N 2.92Å; I1660-S1664 PolarHBondContact O-N 3.12Å; I1660-V1826 HydrophobicContact CD1-CB 4.22Å; I1660-V1826 HydrophobicContact CD1-CG1 4.12Å; I1660-V1826 HydrophobicContact CD1-CG2 4.11Å; I1660-A1829 HydrophobicContact CD1-CB 4.08Å; I1660-A1829 HydrophobicContact CG2-CB 3.99Å |
| 1661 | N | 80.1 | Confident | 74.7 | Confident | 78 Ų | 78 | 36.4 Ų | 36.4 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.1 | -29.3 | 174.8 | -70.7 | -43.9 | 0 | 0 | 0 | 112.9 | S1657 R1658 L1659 S1664 L1665 | S1657-N1661 PolarHBondContact O-N 3.42Å; S1657-N1661 VanDerWaalsContact O-N 3.1Å; S1657-N1661 PolarHBondContact O-ND2 3.07Å; R1658-N1661 WeakPolarHBondContact O-CB 3.41Å; R1658-N1661 PolarHBondContact O-N 3.23Å; L1659-N1661 VanDerWaalsContact C-N 3.29Å; L1659-N1661 PolarHBondContact O-N 3.02Å; N1661-S1664 PolarHBondContact O-OG 3.02Å; N1661-L1665 WeakPolarHBondContact O-CB 3.48Å; N1661-L1665 PolarHBondContact O-N 3.16Å |
| 1662 | L | 83.5 | Confident | 73.8 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69 | -43.4 | 170.9 | -65.2 | 177.3 | 0 | 0 | 0 | 111.3 | V1604 I1607 Q1608 F1612 R1658 L1659 I1660 S1664 L1665 G1666 | V1604-L1662 HydrophobicContact CG1-CD1 4.07Å; I1607-L1662 HydrophobicContact CG2-CD1 4.18Å; Q1608-L1662 HydrophobicContact CB-CD1 4.12Å; Q1608-L1662 HydrophobicContact CB-CD2 3.69Å; Q1608-L1662 HydrophobicContact CG-CD2 3.58Å; F1612-L1662 HydrophobicContact CD2-CD2 3.95Å; F1612-L1662 HydrophobicContact CE2-CB 4.18Å; F1612-L1662 HydrophobicContact CE2-CD2 3.69Å; F1612-L1662 HydrophobicContact CE2-CG 4.5Å; F1612-L1662 WeakPolarHBondContact CZ-O 3.41Å; R1658-L1662 WeakPolarHBondContact O-CG 3.43Å; R1658-L1662 PolarHBondContact O-N 2.88Å; L1659-L1662 HydrophobicContact CD2-CD1 4.28Å; L1659-L1662 WeakPolarHBondContact O-CB 3.35Å; L1659-L1662 PolarHBondContact O-N 3.11Å; L1659-L1662 VanDerWaalsContact O-N 3.11Å; I1660-L1662 VanDerWaalsContact C-N 3.32Å; I1660-L1662 PolarHBondContact O-N 3.23Å; L1662-S1664 VanDerWaalsContact C-N 3.34Å; L1662-S1664 PolarHBondContact O-N 2.61Å; L1662-L1665 PolarHBondContact O-N 2.87Å; L1662-G1666 PolarHBondContact O-N 2.92Å |
| 1663 | L | 82.6 | Confident | 72.1 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 174.8 | -64.5 | -178.1 | 0 | 0 | 0 | 111.8 | V1637 I1640 L1645 L1659 I1660 G1666 S1667 C1775 L1779 | V1637-L1663 HydrophobicContact CB-CD2 4.34Å; V1637-L1663 HydrophobicContact CG1-CD2 3.74Å; V1637-L1663 HydrophobicContact CG2-CD2 4.17Å; I1640-L1663 HydrophobicContact CD1-CD2 4.41Å; I1640-L1663 HydrophobicContact CG2-CD1 4.08Å; I1640-L1663 HydrophobicContact CG2-CD2 4.17Å; I1640-L1663 HydrophobicContact CG2-CG 4.09Å; L1645-L1663 HydrophobicContact CD1-CD1 3.65Å; L1659-L1663 PolarHBondContact O-N 3.33Å; I1660-L1663 PolarHBondContact O-N 2.92Å; L1663-G1666 PolarHBondContact O-N 3.14Å; L1663-S1667 PolarHBondContact O-N 3.05Å; L1663-C1775 WeakPolarHBondContact O-CB 3.41Å; L1663-L1779 HydrophobicContact CB-CD1 3.91Å |
| 1664 | S | 75.6 | Confident | 70.7 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 176.3 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | I1660 N1661 L1662 G1666 S1667 V1668 N1833 | I1660-S1664 PolarHBondContact O-N 3.12Å; N1661-S1664 PolarHBondContact O-OG 3.02Å; L1662-S1664 VanDerWaalsContact C-N 3.34Å; L1662-S1664 PolarHBondContact O-N 2.61Å; S1664-G1666 VanDerWaalsContact C-N 3.32Å; S1664-G1666 PolarHBondContact O-N 3.13Å; S1664-S1667 PolarHBondContact O-N 3.38Å; S1664-S1667 PolarHBondContact O-OG 3.12Å; S1664-V1668 VanDerWaalsContact O-CG2 3.31Å; S1664-V1668 WeakPolarHBondContact O-CG2 3.38Å; S1664-V1668 PolarHBondContact O-N 3.28Å; S1664-V1668 VanDerWaalsContact O-N 3.12Å; S1664-N1833 WeakPolarHBondContact CB-OD1 3.49Å; S1664-N1833 PolarHBondContact OG-OD1 3.48Å |
| 1665 | L | 77.8 | Confident | 68.6 | Low | 51 Ų | 51 | 36.3 Ų | 36.3 | 27% | 0.267 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.4 | -169.2 | 66.6 | 0 | 0 | 0 | 111.8 | F1612 N1661 L1662 V1668 Q1669 | F1612-L1665 HydrophobicContact CD1-CD2 3.72Å; F1612-L1665 HydrophobicContact CD1-CG 3.97Å; F1612-L1665 HydrophobicContact CD2-CD2 4Å; F1612-L1665 HydrophobicContact CE1-CB 3.98Å; F1612-L1665 HydrophobicContact CE1-CD2 3.76Å; F1612-L1665 HydrophobicContact CE1-CG 3.59Å; F1612-L1665 HydrophobicContact CE2-CB 4.43Å; F1612-L1665 HydrophobicContact CE2-CD2 4.04Å; F1612-L1665 HydrophobicContact CE2-CG 4.49Å; F1612-L1665 HydrophobicContact CG-CD2 3.86Å; F1612-L1665 HydrophobicContact CZ-CB 3.81Å; F1612-L1665 HydrophobicContact CZ-CD2 3.93Å; F1612-L1665 HydrophobicContact CZ-CG 3.9Å; N1661-L1665 WeakPolarHBondContact O-CB 3.48Å; N1661-L1665 PolarHBondContact O-N 3.16Å; L1662-L1665 PolarHBondContact O-N 2.87Å; L1665-V1668 CarbonylContact O-C 3.58Å; L1665-V1668 WeakPolarHBondContact O-CA 3.11Å; L1665-V1668 PolarHBondContact O-N 3.25Å; L1665-Q1669 VanDerWaalsContact CD1-CD 3.48Å; L1665-Q1669 HydrophobicContact CD1-CG 3.93Å; L1665-Q1669 HydrophobicContact CG-CG 4.43Å; L1665-Q1669 PolarHBondContact O-N 2.73Å |
| 1666 | G | 75.7 | Confident | 66.2 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | L1662 L1663 S1664 V1668 | L1662-G1666 PolarHBondContact O-N 2.92Å; L1663-G1666 PolarHBondContact O-N 3.14Å; S1664-G1666 VanDerWaalsContact C-N 3.32Å; S1664-G1666 PolarHBondContact O-N 3.13Å; G1666-V1668 PolarHBondContact O-N 3.3Å |
| 1667 | S | 71.9 | Confident | 63.8 | Low | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -22.7 | 169.6 | 84.6 | 0 | 0 | 0 | 0 | 113.1 | L1663 S1664 R1837 | L1663-S1667 PolarHBondContact O-N 3.05Å; S1664-S1667 PolarHBondContact O-N 3.38Å; S1664-S1667 PolarHBondContact O-OG 3.12Å; S1667-R1837 PolarHBondContact O-NE 3.4Å; S1667-R1837 VanDerWaalsContact O-NE 3.07Å; S1667-R1837 PolarHBondContact O-NH2 3.3Å |
| 1668 | V | 60 | Low | 61.5 | Low | 70 Ų | 70 | 49.3 Ų | 49.3 | 42% | 0.424 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -93.1 | -50 | -175.7 | 172.7 | 0 | 0 | 0 | 0 | 113.1 | S1664 L1665 G1666 R1837 | S1664-V1668 VanDerWaalsContact O-CG2 3.31Å; S1664-V1668 WeakPolarHBondContact O-CG2 3.38Å; S1664-V1668 PolarHBondContact O-N 3.28Å; S1664-V1668 VanDerWaalsContact O-N 3.12Å; L1665-V1668 CarbonylContact O-C 3.58Å; L1665-V1668 WeakPolarHBondContact O-CA 3.11Å; L1665-V1668 PolarHBondContact O-N 3.25Å; G1666-V1668 PolarHBondContact O-N 3.3Å; V1668-R1837 VanDerWaalsContact CA-NH1 3.28Å; V1668-R1837 PolarHBondContact O-NH1 3.24Å |
| 1669 | Q | 63 | Low | 58.8 | Low | 78 Ų | 78 | 52.1 Ų | 52.1 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | trans | -102.4 | 47.7 | -169.4 | -65.4 | -172.7 | -22.6 | 0 | 0 | 112.4 | L1665 A1671 | L1665-Q1669 VanDerWaalsContact CD1-CD 3.48Å; L1665-Q1669 HydrophobicContact CD1-CG 3.93Å; L1665-Q1669 HydrophobicContact CG-CG 4.43Å; L1665-Q1669 PolarHBondContact O-N 2.73Å; Q1669-A1671 PolarHBondContact O-N 2.88Å | ||
| 1670 | S | 58 | Low | 56 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | trans | -73.9 | -6.1 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 115.1 | F1767 R1768 | S1670-F1767 WeakPolarHBondContact OG-CD2 3.39Å; S1670-F1767 WeakPolarHBondContact OG-CE2 3.47Å; S1670-F1767 WeakPolarHBondContact OG-CZ 3.47Å; S1670-R1768 VanDerWaalsContact O-CB 3.27Å; S1670-R1768 WeakPolarHBondContact O-CB 3.5Å; S1670-R1768 WeakPolarHBondContact O-CG 3.42Å; S1670-R1768 PolarHBondContact O-N 3.41Å | ||
| 1671 | A | 53.4 | Low | 53.5 | Low | 57 Ų | 57 | 65.1 Ų | 65.1 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -101.8 | 130.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q1669 | Q1669-A1671 PolarHBondContact O-N 2.88Å |
| 1672 | I | 56.5 | Low | 50.9 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 21% | 0.21 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 134.6 | 179.6 | -61.4 | 176.2 | 0 | 0 | 0 | 109.2 | P1617 F1626 I1674 | P1617-I1672 HydrophobicContact CG-CD1 3.91Å; F1626-I1672 HydrophobicContact CE2-CD1 3.55Å; F1626-I1672 HydrophobicContact CZ-CD1 3.7Å; I1672-I1674 PolarHBondContact O-N 3.04Å |
| 1673 | P | 41.7 | Very low | 48.1 | Very low | 78 Ų | 78 | 73.3 Ų | 73.3 | 51% | 0.506 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 122.3 | -180 | -25.6 | 35.3 | 0 | 0 | 0 | 113.1 | Q1616 S1675 | Q1616-P1673 PolarHBondContact NE2-O 2.95Å; Q1616-P1673 VanDerWaalsContact NE2-O 3.07Å; P1673-S1675 PolarHBondContact O-N 3.19Å |
| 1674 | I | 39.3 | Very low | 45.3 | Very low | 68 Ų | 68 | 79.5 Ų | 79.5 | 35% | 0.349 | 47% | 0.469 | S | S | . | . | trans | -85.6 | 107.8 | 174.6 | -55.7 | 169.4 | 0 | 0 | 0 | 108.8 | I1672 V1676 Q1736 L1765 | I1672-I1674 PolarHBondContact O-N 3.04Å; I1674-V1676 HydrophobicContact CG2-CG2 3.87Å; I1674-Q1736 PolarHBondContact O-OE1 2.82Å; I1674-L1765 HydrophobicContact CD1-CD2 4.15Å | ||
| 1675 | S | 34 | Very low | 42.8 | Very low | 77 Ų | 77 | 83.9 Ų | 83.9 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | trans | -82.6 | 111.2 | 158.8 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | Q1616 P1673 T1677 | Q1616-S1675 PolarHBondContact NE2-OG 3.43Å; P1673-S1675 PolarHBondContact O-N 3.19Å; S1675-T1677 PolarHBondContact O-N 3.01Å | ||
| 1676 | V | 31.5 | Very low | 40.3 | Very low | 97 Ų | 97 | 88.8 Ų | 88.8 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | trans | -82.9 | 106.4 | 173 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | I1674 | I1674-V1676 HydrophobicContact CG2-CG2 3.87Š| ||
| 1677 | T | 29.9 | Very low | 37.7 | Very low | 107 Ų | 107 | 96.4 Ų | 96.4 | 66% | 0.656 | 57% | 0.566 | S | S | * | * | trans | -99.5 | 135.4 | 163.8 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | S1675 | S1675-T1677 PolarHBondContact O-N 3.01Š| ||
| 1678 | T | 27.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 103.3 Ų | 103.3 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -85 | 111.8 | 176.3 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1679 | D | 25.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 107.2 Ų | 107.2 | 70% | 0.695 | 62% | 0.622 | S | S | * | * | trans | -68.3 | 135 | 176.8 | -57.1 | -48.4 | 0 | 0 | 0 | 111.2 | ||||
| 1680 | V | 27.4 | Very low | 31.8 | Very low | 135 Ų | 135 | 112.8 Ų | 112.8 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -137.4 | 113.1 | 166.2 | 176.7 | 0 | 0 | 0 | 0 | 107.6 | V1682 | V1680-V1682 PolarHBondContact O-N 3.22Š| ||
| 1681 | D | 27.4 | Very low | 30.2 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 78% | 0.775 | 68% | 0.683 | S | S | * | * | trans | -78.6 | 113.6 | -178.6 | -74.4 | -52.7 | 0 | 0 | 0 | 112.7 | ||||
| 1682 | V | 26.5 | Very low | 28.7 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 66% | 0.661 | 71% | 0.706 | S | S | * | * | 49.2 | 116.7 | 120.2 | -178.8 | 0 | 0 | 0 | 0 | 119.4 | V1680 | V1680-V1682 PolarHBondContact O-N 3.22Š| |||
| 1683 | N | 23.9 | Very low | 27.2 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | 73.8 | 138.6 | 161.1 | -57.7 | -20.5 | 0 | 0 | 0 | 117.3 | ||||
| 1684 | T | 24.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | cis | -149.3 | 167 | 12.7 | -22.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1685 | S | 24.2 | Very low | 25.5 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | -60 | 149.9 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1686 | N | 24 | Very low | 24.9 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | 57.8 | 98.9 | 161.9 | -78.9 | 0.6 | 0 | 0 | 0 | 118.6 | ||||
| 1687 | N | 22.5 | Very low | 24.4 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | -160.5 | 161.9 | 121.5 | -108.4 | -28.8 | 0 | 0 | 0 | 113.1 | |||||
| 1688 | N | 23.4 | Very low | 24 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -71.9 | 152.4 | -159.7 | -61.3 | -42.4 | 0 | 0 | 0 | 116.6 | ||||
| 1689 | N | 25.5 | Very low | 24 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -38.9 | 135.5 | 160.8 | -47.5 | -28.3 | 0 | 0 | 0 | 114.6 | ||||
| 1690 | E | 22.5 | Very low | 23.8 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -142.5 | 149 | 132.6 | -78.8 | -156.4 | 148.9 | 0 | 0 | 109.2 | ||||
| 1691 | D | 23.3 | Very low | 23.6 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | -83 | 139.9 | -162.1 | -62.7 | -72.5 | 0 | 0 | 0 | 114.9 | ||||
| 1692 | F | 22.2 | Very low | 23.5 | Very low | 216 Ų | 216 | 146.3 Ų | 146.3 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | trans | -128.7 | 110.4 | 147.8 | -121.8 | -89.7 | 0 | 0 | 0 | 110.3 | ||||
| 1693 | N | 24.2 | Very low | 23.4 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -98.3 | 111.2 | -162.1 | -151.5 | -19.3 | 0 | 0 | 0 | 110.7 | ||||
| 1694 | A | 21.9 | Very low | 23.3 | Very low | 88 Ų | 88 | 145.2 Ų | 145.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -143.5 | 62.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1695 | N | 23.5 | Very low | 23.2 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -158.2 | 126.9 | 144.1 | -90.9 | -39.2 | 0 | 0 | 0 | 107.6 | ||||
| 1696 | G | 22.3 | Very low | 23.1 | Very low | 61 Ų | 61 | 145.9 Ų | 145.9 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | cis | 102.6 | 55.1 | 39.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1697 | S | 21.5 | Very low | 23 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | 61.3 | 102.3 | 145.1 | 61.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1698 | Y | 21.4 | Very low | 23 | Very low | 214 Ų | 214 | 145.3 Ų | 145.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | 50.1 | 106.4 | 126.5 | -58.6 | -69.9 | 0 | 0 | 0 | 120.9 | |||||
| 1699 | H | 26.5 | Very low | 23 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | -172.3 | 152.9 | 120.7 | -103.5 | -73 | 0 | 0 | 0 | 111.5 | |||||
| 1700 | R | 22.3 | Very low | 23 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | -151.3 | 141.9 | -90.1 | 178.1 | 173.9 | -173.5 | -172.2 | 5.4 | 112.1 | |||||
| 1701 | N | 23.4 | Very low | 23 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 67.5 | 119.1 | 164.6 | -65.6 | -0.1 | 0 | 0 | 0 | 121.5 | ||||
| 1702 | S | 24.4 | Very low | 22.9 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 179.5 | 87.5 | 98.2 | -165.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1703 | V | 23.3 | Very low | 22.9 | Very low | 111 Ų | 111 | 134 Ų | 134 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | 15.7 | 126.4 | 116.5 | -177.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1704 | D | 21.9 | Very low | 22.8 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | -171.8 | 168.2 | 53.4 | -132.8 | -21.2 | 0 | 0 | 0 | 117.3 | |||||
| 1705 | H | 23.9 | Very low | 22.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | 49.7 | 112.1 | 147.9 | -72.7 | -42.4 | 0 | 0 | 0 | 126.8 | ||||
| 1706 | S | 21.6 | Very low | 22.6 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | 57.1 | 126.8 | 121.5 | 73.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1707 | N | 20.9 | Very low | 22.6 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 62.4 | 145.9 | 137.9 | -79 | -1.4 | 0 | 0 | 0 | 123.7 | ||||
| 1708 | N | 22.3 | Very low | 22.7 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 82.8 | 107 | 161 | -65.6 | -4.9 | 0 | 0 | 0 | 119.6 | ||||
| 1709 | Q | 24.2 | Very low | 22.7 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -37.6 | 144.2 | 139.5 | -67.3 | 172.9 | -42.1 | 0 | 0 | 110.8 | ||||
| 1710 | P | 26.5 | Very low | 22.5 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | -150.9 | 168.7 | 85.1 | 40.8 | -23.3 | 0 | 0 | 0 | 116.9 | |||||
| 1711 | S | 20.9 | Very low | 22.5 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 44 | 97.6 | 142.4 | 63.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1712 | S | 21.7 | Very low | 22.4 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | 85.6 | 150.6 | 77.5 | 69.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1713 | V | 22.1 | Very low | 22.3 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | 92.4 | 102.1 | 163.1 | -171.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1714 | N | 22.6 | Very low | 22.3 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 66% | 0.658 | 76% | 0.763 | S | S | * | * | trans | 62.1 | 100.3 | 143.3 | -56.8 | -4.4 | 0 | 0 | 0 | 120.6 | ||||
| 1715 | R | 19.8 | Very low | 22.3 | Very low | 250 Ų | 250 | 139.5 Ų | 139.5 | 94% | 0.943 | 77% | 0.767 | S | S | * | * | -116.1 | 136.6 | 122.1 | -79.2 | -170.2 | -179.9 | 175.8 | 2.7 | 110.3 | S1717 | R1715-S1717 PolarHBondContact O-N 3.08Š| |||
| 1716 | Y | 22.2 | Very low | 22.3 | Very low | 204 Ų | 204 | 139.2 Ų | 139.2 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -64.3 | 123.4 | -172.9 | -74.5 | -99.7 | 0 | 0 | 0 | 112.1 | N1718 | Y1716-N1718 VanDerWaalsContact C-N 3.32Å; Y1716-N1718 PolarHBondContact O-N 3.48Å; Y1716-N1718 VanDerWaalsContact O-N 3.07Å | ||
| 1717 | S | 22.2 | Very low | 22.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -78.5 | 77.5 | 169.4 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | R1715 | R1715-S1717 PolarHBondContact O-N 3.08Š| ||
| 1718 | N | 22.2 | Very low | 22.5 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -83.4 | 118.2 | 166.6 | -105.8 | -3 | 0 | 0 | 0 | 109.7 | Y1716 S1720 | Y1716-N1718 VanDerWaalsContact C-N 3.32Å; Y1716-N1718 PolarHBondContact O-N 3.48Å; Y1716-N1718 VanDerWaalsContact O-N 3.07Å; N1718-S1720 PolarHBondContact O-N 3.01Å | ||
| 1719 | V | 22.6 | Very low | 22.6 | Very low | 152 Ų | 152 | 137 Ų | 137 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -62.5 | 103.1 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1720 | S | 21.6 | Very low | 22.5 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | -123.6 | 144.8 | 164.7 | 52.1 | 0 | 0 | 0 | 0 | 107.7 | N1718 N1722 | N1718-S1720 PolarHBondContact O-N 3.01Å; S1720-N1722 PolarHBondContact O-N 3.04Å | ||
| 1721 | H | 21.8 | Very low | 22.5 | Very low | 196 Ų | 196 | 132.5 Ų | 132.5 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | trans | -57 | 90.5 | -165.1 | -63.9 | -88.8 | 0 | 0 | 0 | 113.9 | G1723 | H1721-G1723 PolarHBondContact O-N 3.49Š| ||
| 1722 | N | 22.4 | Very low | 22.7 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -68.5 | 90 | 151.5 | -92 | -12.7 | 0 | 0 | 0 | 107 | S1720 T1724 | S1720-N1722 PolarHBondContact O-N 3.04Å; N1722-T1724 PolarHBondContact O-N 2.83Å | ||
| 1723 | G | 21.8 | Very low | 22.9 | Very low | 53 Ų | 53 | 132.2 Ų | 132.2 | 55% | 0.546 | 73% | 0.731 | S | S | . | * | trans | -51.1 | 127.4 | 160 | 0 | 0 | 0 | 0 | 0 | 107.9 | H1721 N1725 | H1721-G1723 PolarHBondContact O-N 3.49Å; G1723-N1725 PolarHBondContact O-N 3.19Å | ||
| 1724 | T | 23.3 | Very low | 23.2 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | -56.4 | 109.6 | 170.1 | 37.4 | 0 | 0 | 0 | 0 | 107.1 | N1722 F1726 | N1722-T1724 PolarHBondContact O-N 2.83Å; T1724-F1726 PolarHBondContact O-N 2.82Å | ||
| 1725 | N | 22.9 | Very low | 23.4 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -64.1 | 85.7 | 175.7 | -75.3 | -60.9 | 0 | 0 | 0 | 107.8 | G1723 P1727 | G1723-N1725 PolarHBondContact O-N 3.19Å; N1725-P1727 VanDerWaalsContact O-N 3.1Å | ||
| 1726 | F | 22.2 | Very low | 23.7 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | trans | -49.7 | 120.8 | 155.3 | -82.2 | -77.1 | 0 | 0 | 0 | 105.6 | T1724 K1728 | T1724-F1726 PolarHBondContact O-N 2.82Å; F1726-K1728 PolarHBondContact O-N 2.83Å | ||
| 1727 | P | 24 | Very low | 23.9 | Very low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | trans | -58.5 | 134.2 | -164.9 | 21.1 | -32.1 | 0 | 0 | 0 | 108.7 | N1725 G1729 | N1725-P1727 VanDerWaalsContact O-N 3.1Å; P1727-G1729 PolarHBondContact O-N 3.43Å | ||
| 1728 | K | 23.7 | Very low | 24.1 | Very low | 207 Ų | 207 | 123.7 Ų | 123.7 | 90% | 0.9 | 70% | 0.695 | S | S | * | * | trans | -69.2 | 63.1 | 175 | -68.9 | 178.9 | 178.2 | 175.4 | 0 | 109.9 | F1726 | F1726-K1728 PolarHBondContact O-N 2.83Š| ||
| 1729 | G | 23.8 | Very low | 24.3 | Very low | 46 Ų | 46 | 122.7 Ų | 122.7 | 47% | 0.474 | 69% | 0.689 | S | S | . | * | trans | -92.3 | 14.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1727 G1731 | P1727-G1729 PolarHBondContact O-N 3.43Å; G1729-G1731 PolarHBondContact O-N 3.41Å | ||
| 1730 | L | 23.5 | Very low | 24.5 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 17.1 | -172.7 | -142.7 | 88.6 | 0 | 0 | 0 | 115.1 | ||
| 1731 | G | 24.9 | Very low | 24.9 | Very low | 47 Ų | 47 | 123.7 Ų | 123.7 | 49% | 0.485 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -133.1 | -8.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | G1729 | G1729-G1731 PolarHBondContact O-N 3.41Š|
| 1732 | L | 25.6 | Very low | 25.1 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -81 | -36.1 | -171 | -100.6 | 148.6 | 0 | 0 | 0 | 114.5 | V1734 R1735 | L1732-V1734 PolarHBondContact O-N 2.98Å; L1732-V1734 VanDerWaalsContact O-N 3.09Å; L1732-R1735 PolarHBondContact O-N 2.91Å |
| 1733 | A | 26.7 | Very low | 25.2 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -22.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R1735 | A1733-R1735 VanDerWaalsContact C-N 3.35Š|
| 1734 | V | 27.4 | Very low | 25.5 | Very low | 116 Ų | 116 | 121 Ų | 121 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -18.4 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | L1732 | L1732-V1734 PolarHBondContact O-N 2.98Å; L1732-V1734 VanDerWaalsContact O-N 3.09Å |
| 1735 | R | 26.9 | Very low | 25.8 | Very low | 205 Ų | 205 | 122.8 Ų | 122.8 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -17.1 | -176.8 | -77.7 | -173.6 | 172.1 | 178 | -2 | 115.5 | L1732 A1733 S1738 | L1732-R1735 PolarHBondContact O-N 2.91Å; A1733-R1735 VanDerWaalsContact C-N 3.35Å; R1735-S1738 PolarHBondContact O-OG 3.17Å |
| 1736 | Q | 26.9 | Very low | 26 | Very low | 69 Ų | 69 | 125 Ų | 125 | 32% | 0.322 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -82.9 | -16.5 | -169.9 | -78.2 | -178.5 | -30.5 | 0 | 0 | 115.7 | I1674 S1738 | I1674-Q1736 PolarHBondContact O-OE1 2.82Å; Q1736-S1738 PolarHBondContact O-N 3.45Å; Q1736-S1738 VanDerWaalsContact O-N 3.16Å |
| 1737 | M | 25 | Very low | 26.5 | Very low | 155 Ų | 155 | 122.7 Ų | 122.7 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -70.9 | -8.3 | -179.2 | -147.6 | 83.9 | -162.8 | 0 | 0 | 114.3 | L1765 | M1737-L1765 HydrophobicContact CE-CD2 4.28Š|
| 1738 | S | 27.5 | Very low | 26.6 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 62% | 0.615 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -97.2 | 2.2 | -177.4 | 68.6 | 0 | 0 | 0 | 0 | 115.3 | R1735 Q1736 T1741 | R1735-S1738 PolarHBondContact O-OG 3.17Å; Q1736-S1738 PolarHBondContact O-N 3.45Å; Q1736-S1738 VanDerWaalsContact O-N 3.16Å; S1738-T1741 PolarHBondContact O-OG1 3.17Å |
| 1739 | L | 26.8 | Very low | 26.9 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -107.5 | -1.8 | -170.9 | -103.6 | 163.2 | 0 | 0 | 0 | 115.5 | T1741 | L1739-T1741 VanDerWaalsContact C-N 3.28Å; L1739-T1741 PolarHBondContact O-N 3.34Å |
| 1740 | V | 26.1 | Very low | 27 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -15.9 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | S1742 | V1740-S1742 VanDerWaalsContact C-N 3.31Å; V1740-S1742 PolarHBondContact O-N 3.47Å |
| 1741 | T | 29.6 | Very low | 27 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 12.6 | -177.4 | 39.7 | 0 | 0 | 0 | 0 | 115.4 | S1738 L1739 | S1738-T1741 PolarHBondContact O-OG1 3.17Å; L1739-T1741 VanDerWaalsContact C-N 3.28Å; L1739-T1741 PolarHBondContact O-N 3.34Å |
| 1742 | S | 25.3 | Very low | 27.2 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 57% | 0.573 | 73% | 0.726 | S | S | * | * | trans | -138.3 | 77.8 | 178.5 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | V1740 | V1740-S1742 VanDerWaalsContact C-N 3.31Å; V1740-S1742 PolarHBondContact O-N 3.47Å | ||
| 1743 | L | 24.9 | Very low | 27.3 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -120.6 | 127.7 | 161.7 | -154.2 | 73.1 | 0 | 0 | 0 | 108.8 | ||||
| 1744 | P | 28 | Very low | 27.3 | Very low | 108 Ų | 108 | 134 Ų | 134 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -67.2 | 142.6 | -169.7 | -22.8 | 34.7 | 0 | 0 | 0 | 114.5 | E1746 | P1744-E1746 PolarHBondContact O-N 3.28Š| ||
| 1745 | Q | 29.4 | Very low | 27.5 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -80.5 | -8.4 | -164.5 | -165.8 | 165.5 | -15.1 | 0 | 0 | 115.2 | ||
| 1746 | E | 28.2 | Very low | 27.7 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -81.7 | -17 | -173.2 | -68.2 | -175 | 143.9 | 0 | 0 | 114.5 | P1744 L1748 | P1744-E1746 PolarHBondContact O-N 3.28Å; E1746-L1748 PolarHBondContact O-N 2.88Å |
| 1747 | A | 31.5 | Very low | 28.1 | Very low | 99 Ų | 99 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -77.2 | 4.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1748 | L | 28.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -115.9 | 6.4 | -168.4 | -80.5 | 172.3 | 0 | 0 | 0 | 115.9 | E1746 | E1746-L1748 PolarHBondContact O-N 2.88Š|
| 1749 | M | 28.3 | Very low | 29.7 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -112.5 | -0.3 | -170.9 | -73.2 | -66.8 | 160.7 | 0 | 0 | 116.7 | ||
| 1750 | N | 25.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -111.7 | 131.1 | 169.8 | -79.5 | -11.1 | 0 | 0 | 0 | 111.3 | ||
| 1751 | E | 24.8 | Very low | 31 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | 67.8 | 84.7 | 175.1 | -56.9 | -162.4 | 147.9 | 0 | 0 | 117.1 | L1753 | E1751-L1753 PolarHBondContact O-N 3.45Š| ||
| 1752 | S | 28 | Very low | 31.6 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 112.2 | 154.8 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1753 | L | 27.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 89% | 0.89 | 73% | 0.732 | S | S | * | * | trans | -176.9 | 122 | 133.3 | -98.1 | 163.4 | 0 | 0 | 0 | 111.4 | E1751 | E1751-L1753 PolarHBondContact O-N 3.45Š| ||
| 1754 | G | 26.4 | Very low | 33.6 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | 86.5 | 40.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | N1756 | G1754-N1756 PolarHBondContact O-N 3.26Å; G1754-N1756 VanDerWaalsContact O-N 3.16Å | ||
| 1755 | W | 32.3 | Very low | 34.4 | Very low | 231 Ų | 231 | 140.3 Ų | 140.3 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 98.7 | 168.6 | -74.5 | 52.4 | 0 | 0 | 0 | 111.2 | I1757 | W1755-I1757 PolarHBondContact O-N 3.16Š| ||
| 1756 | N | 31.1 | Very low | 35.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | trans | -65.4 | 128.7 | 164.3 | -97.9 | -30.5 | 0 | 0 | 0 | 109.4 | G1754 D1758 | G1754-N1756 PolarHBondContact O-N 3.26Å; G1754-N1756 VanDerWaalsContact O-N 3.16Å; N1756-D1758 PolarHBondContact O-N 3.03Å; N1756-D1758 VanDerWaalsContact O-N 3.14Å | ||
| 1757 | I | 36 | Very low | 36.9 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | trans | -72.6 | 108 | 178.8 | -64 | 168.3 | 0 | 0 | 0 | 108.2 | W1755 L1759 | W1755-I1757 PolarHBondContact O-N 3.16Å; I1757-L1759 PolarHBondContact O-N 2.98Å; I1757-L1759 VanDerWaalsContact O-N 3.13Å | ||
| 1758 | D | 38.9 | Very low | 39 | Very low | 94 Ų | 94 | 126 Ų | 126 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | trans | -65.2 | 107.6 | 179.5 | 179.5 | 12 | 0 | 0 | 0 | 111.3 | N1756 D1760 | N1756-D1758 PolarHBondContact O-N 3.03Å; N1756-D1758 VanDerWaalsContact O-N 3.14Å; D1758-D1760 PolarHBondContact O-N 3.29Å; D1758-D1760 PolarHBondContact OD1-N 3.48Å; D1758-D1760 VanDerWaalsContact OD1-N 3.12Å | ||
| 1759 | L | 46.4 | Very low | 40.8 | Very low | 130 Ų | 130 | 123 Ų | 123 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -25.7 | -178 | -112.5 | 76.1 | 0 | 0 | 0 | 112.6 | I1757 R1761 L1762 R1763 | I1757-L1759 PolarHBondContact O-N 2.98Å; I1757-L1759 VanDerWaalsContact O-N 3.13Å; L1759-R1761 VanDerWaalsContact C-N 3.32Å; L1759-R1761 PolarHBondContact O-N 2.85Å; L1759-L1762 WeakPolarHBondContact O-CB 3.39Å; L1759-L1762 PolarHBondContact O-N 3.36Å; L1759-R1763 PolarHBondContact O-N 3.48Å |
| 1760 | D | 41.7 | Very low | 43.1 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 42% | 0.417 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.8 | -26.6 | -173.5 | -75.7 | -22.3 | 0 | 0 | 0 | 112.7 | D1758 L1762 R1763 | D1758-D1760 PolarHBondContact O-N 3.29Å; D1758-D1760 PolarHBondContact OD1-N 3.48Å; D1758-D1760 VanDerWaalsContact OD1-N 3.12Å; D1760-L1762 PolarHBondContact O-N 2.98Å; D1760-R1763 PolarHBondContact O-N 2.86Å; D1760-R1763 IonicContact OD1-CZ 2.7Å; D1760-R1763 IonicContact OD1-NE 2.61Å; D1760-R1763 IonicContact OD1-NH1 3.01Å |
| 1761 | R | 39 | Very low | 45.8 | Very low | 197 Ų | 197 | 112 Ų | 112 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.3 | -26.2 | 170 | -80.8 | -170.7 | 172.1 | -166.2 | -1.4 | 113.1 | L1759 | L1759-R1761 VanDerWaalsContact C-N 3.32Å; L1759-R1761 PolarHBondContact O-N 2.85Å |
| 1762 | L | 42.3 | Very low | 48.1 | Very low | 112 Ų | 112 | 103.3 Ų | 103.3 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -80.7 | -28.2 | 176.3 | -68.9 | 170.3 | 0 | 0 | 0 | 112.6 | L1759 D1760 R1764 L1765 | L1759-L1762 WeakPolarHBondContact O-CB 3.39Å; L1759-L1762 PolarHBondContact O-N 3.36Å; D1760-L1762 PolarHBondContact O-N 2.98Å; L1762-R1764 PolarHBondContact O-N 3.06Å; L1762-L1765 PolarHBondContact O-N 3.03Å |
| 1763 | R | 48.6 | Very low | 50.4 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 34% | 0.34 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58 | -32.4 | 174.3 | -78.2 | -175.7 | 177.1 | 179.9 | 1.3 | 112.8 | S1619 L1621 L1759 D1760 L1765 T1766 | S1619-R1763 PolarHBondContact O-NH1 3.24Å; L1621-R1763 PolarHBondContact O-NH1 3.41Å; L1759-R1763 PolarHBondContact O-N 3.48Å; D1760-R1763 PolarHBondContact O-N 2.86Å; D1760-R1763 IonicContact OD1-CZ 2.7Å; D1760-R1763 IonicContact OD1-NE 2.61Å; D1760-R1763 IonicContact OD1-NH1 3.01Å; R1763-L1765 PolarHBondContact O-N 2.68Å; R1763-T1766 WeakPolarHBondContact O-CG2 3.38Å; R1763-T1766 PolarHBondContact O-N 3.29Å; R1763-T1766 PolarHBondContact O-OG1 3.46Å |
| 1764 | R | 44.1 | Very low | 52.9 | Low | 171 Ų | 171 | 96.3 Ų | 96.3 | 65% | 0.645 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -5.8 | 179.6 | -63.4 | -175.2 | -177.1 | -176.2 | 0.2 | 114.8 | L1762 | L1762-R1764 PolarHBondContact O-N 3.06Š|
| 1765 | L | 43.7 | Very low | 55.6 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 52% | 0.524 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 14.2 | 179.1 | -66.3 | 170.7 | 0 | 0 | 0 | 113.3 | I1674 M1737 L1762 R1763 F1767 | I1674-L1765 HydrophobicContact CD1-CD2 4.15Å; M1737-L1765 HydrophobicContact CE-CD2 4.28Å; L1762-L1765 PolarHBondContact O-N 3.03Å; R1763-L1765 PolarHBondContact O-N 2.68Å; L1765-F1767 PolarHBondContact O-N 3.01Å |
| 1766 | T | 55.3 | Low | 57.6 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | trans | -66.4 | 105.6 | -179.9 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | R1763 | R1763-T1766 WeakPolarHBondContact O-CG2 3.38Å; R1763-T1766 PolarHBondContact O-N 3.29Å; R1763-T1766 PolarHBondContact O-OG1 3.46Å | ||
| 1767 | F | 55.5 | Low | 59.7 | Low | 64 Ų | 64 | 75.6 Ų | 75.6 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 125.3 | 170.9 | -176.9 | -86.1 | 0 | 0 | 0 | 109.3 | S1670 L1765 E1769 A1772 | S1670-F1767 WeakPolarHBondContact OG-CD2 3.39Å; S1670-F1767 WeakPolarHBondContact OG-CE2 3.47Å; S1670-F1767 WeakPolarHBondContact OG-CZ 3.47Å; L1765-F1767 PolarHBondContact O-N 3.01Å; F1767-E1769 VanDerWaalsContact C-N 3.26Å; F1767-E1769 HydrophobicContact CD1-CB 3.97Å; F1767-E1769 HydrophobicContact CD1-CG 4.12Å; F1767-E1769 HydrophobicContact CE1-CB 4.31Å; F1767-E1769 HydrophobicContact CE1-CG 4.09Å; F1767-E1769 PolarHBondContact O-N 3.11Å; F1767-A1772 HydrophobicContact CE1-CB 4.08Å; F1767-A1772 HydrophobicContact CZ-CB 4.31Å |
| 1768 | R | 74.2 | Confident | 61.8 | Low | 21 Ų | 21 | 70.1 Ų | 70.1 | 8% | 0.079 | 33% | 0.332 | C | S | . | . | trans | -73.9 | 77.3 | 177.3 | -62.6 | -179.2 | 56.1 | 177.5 | 1.7 | 110.9 | F1626 E1630 D1633 S1670 N1770 F1771 A1772 | F1626-R1768 HydrophobicContact CE1-CG 4.22Å; F1626-R1768 HydrophobicContact CZ-CG 3.94Å; E1630-R1768 HydrophobicContact CG-CB 4.42Å; E1630-R1768 VanDerWaalsContact OE1-CA 3.23Å; E1630-R1768 WeakPolarHBondContact OE1-CA 3.35Å; E1630-R1768 WeakPolarHBondContact OE1-CB 3.49Å; D1633-R1768 VanDerWaalsContact CG-NH2 3.28Å; D1633-R1768 IonicContact OD2-CZ 3.8Å; D1633-R1768 IonicContact OD2-NH1 3.59Å; D1633-R1768 PolarHBondContact OD2-NH1 3.2Å; D1633-R1768 IonicContact OD2-NH2 2.75Å; D1633-R1768 PolarHBondContact OD2-NH2 2.95Å; S1670-R1768 VanDerWaalsContact O-CB 3.27Å; S1670-R1768 WeakPolarHBondContact O-CB 3.5Å; S1670-R1768 WeakPolarHBondContact O-CG 3.42Å; S1670-R1768 PolarHBondContact O-N 3.41Å; R1768-N1770 PolarHBondContact O-N 3.22Å; R1768-F1771 HydrophobicContact CB-CB 4.14Å; R1768-A1772 VanDerWaalsContact O-CB 3.29Å; R1768-A1772 WeakPolarHBondContact O-CB 3.33Å; R1768-A1772 PolarHBondContact O-N 2.92Å | ||
| 1769 | E | 67.6 | Low | 63.7 | Low | 60 Ų | 60 | 65.9 Ų | 65.9 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | -169.2 | -153.5 | -167.2 | 124.5 | 0 | 0 | 112.5 | E1630 F1767 R1773 | E1630-E1769 PolarHBondContact OE1-N 2.85Å; F1767-E1769 VanDerWaalsContact C-N 3.26Å; F1767-E1769 HydrophobicContact CD1-CB 3.97Å; F1767-E1769 HydrophobicContact CD1-CG 4.12Å; F1767-E1769 HydrophobicContact CE1-CB 4.31Å; F1767-E1769 HydrophobicContact CE1-CG 4.09Å; F1767-E1769 PolarHBondContact O-N 3.11Å; E1769-R1773 VanDerWaalsContact CD-NH2 3.32Å; E1769-R1773 WeakPolarHBondContact O-CB 3.34Å; E1769-R1773 PolarHBondContact O-N 3.4Å; E1769-R1773 IonicContact OE1-CZ 2.69Å; E1769-R1773 IonicContact OE1-NE 2.7Å; E1769-R1773 IonicContact OE1-NH2 3.57Å; E1769-R1773 PolarHBondContact OE1-NH2 2.67Å |
| 1770 | N | 75 | Confident | 64.9 | Low | 78 Ų | 78 | 61.3 Ų | 61.3 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.8 | -45.8 | -177.5 | -66.4 | -25.1 | 0 | 0 | 0 | 110.9 | E1630 R1768 A1772 R1773 L1774 | E1630-N1770 WeakPolarHBondContact OE1-CA 3.19Å; E1630-N1770 WeakPolarHBondContact OE1-CB 3.47Å; E1630-N1770 PolarHBondContact OE1-N 3.5Å; R1768-N1770 PolarHBondContact O-N 3.22Å; N1770-A1772 PolarHBondContact O-N 2.84Å; N1770-R1773 PolarHBondContact O-N 3.22Å; N1770-R1773 PolarHBondContact OD1-NH1 3.25Å; N1770-R1773 PolarHBondContact OD1-NH2 2.92Å; N1770-R1773 VanDerWaalsContact OD1-NH2 3.07Å; N1770-L1774 WeakPolarHBondContact O-CB 3.46Å; N1770-L1774 PolarHBondContact O-N 3.01Å |
| 1771 | F | 82.3 | Confident | 66.4 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.3 | 175.5 | -104.9 | 0 | 0 | 0 | 111.9 | L1611 F1612 E1630 D1633 V1637 R1768 R1773 L1774 C1775 | L1611-F1771 HydrophobicContact CD2-CE2 3.94Å; L1611-F1771 HydrophobicContact CD2-CZ 4.37Å; F1612-F1771 HydrophobicContact CZ-CZ 4.46Å; E1630-F1771 HydrophobicContact CG-CB 3.88Å; E1630-F1771 PolarHBondContact OE1-N 3.42Å; D1633-F1771 HydrophobicContact CB-CD2 4Å; D1633-F1771 HydrophobicContact CB-CE2 4.14Å; V1637-F1771 HydrophobicContact CG2-CD2 4.11Å; V1637-F1771 HydrophobicContact CG2-CE2 3.61Å; R1768-F1771 HydrophobicContact CB-CB 4.14Å; F1771-R1773 PolarHBondContact O-N 3.2Å; F1771-L1774 PolarHBondContact O-N 2.7Å; F1771-C1775 WeakPolarHBondContact O-CB 3.32Å; F1771-C1775 PolarHBondContact O-N 3.13Å; F1771-C1775 PolarHBondContact O-SG 2.99Å |
| 1772 | A | 75 | Confident | 68 | Low | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1767 R1768 N1770 F1776 | F1767-A1772 HydrophobicContact CE1-CB 4.08Å; F1767-A1772 HydrophobicContact CZ-CB 4.31Å; R1768-A1772 VanDerWaalsContact O-CB 3.29Å; R1768-A1772 WeakPolarHBondContact O-CB 3.33Å; R1768-A1772 PolarHBondContact O-N 2.92Å; N1770-A1772 PolarHBondContact O-N 2.84Å; A1772-F1776 WeakPolarHBondContact O-CB 3.42Å; A1772-F1776 PolarHBondContact O-N 3.44Å |
| 1773 | R | 75.3 | Confident | 69.1 | Low | 94 Ų | 94 | 48.9 Ų | 48.9 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.5 | -38.5 | -177.9 | -162.1 | -170.3 | -43.7 | 106 | -1.3 | 111.4 | E1769 N1770 F1771 G1777 Y1867 | E1769-R1773 VanDerWaalsContact CD-NH2 3.32Å; E1769-R1773 WeakPolarHBondContact O-CB 3.34Å; E1769-R1773 PolarHBondContact O-N 3.4Å; E1769-R1773 IonicContact OE1-CZ 2.69Å; E1769-R1773 IonicContact OE1-NE 2.7Å; E1769-R1773 IonicContact OE1-NH2 3.57Å; E1769-R1773 PolarHBondContact OE1-NH2 2.67Å; N1770-R1773 PolarHBondContact O-N 3.22Å; N1770-R1773 PolarHBondContact OD1-NH1 3.25Å; N1770-R1773 PolarHBondContact OD1-NH2 2.92Å; N1770-R1773 VanDerWaalsContact OD1-NH2 3.07Å; F1771-R1773 PolarHBondContact O-N 3.2Å; R1773-G1777 WeakPolarHBondContact O-CA 3.29Å; R1773-G1777 PolarHBondContact O-N 3.33Å; R1773-Y1867 HydrophobicContact CG-CE2 4.04Å |
| 1774 | L | 80.2 | Confident | 69.6 | Low | 47 Ų | 47 | 47.6 Ų | 47.6 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.2 | -46.5 | 176 | -174.2 | 66.4 | 0 | 0 | 0 | 111.6 | C1634 V1637 N1770 F1771 F1776 G1777 K1778 | C1634-L1774 HydrophobicContact CB-CD2 3.48Å; C1634-L1774 VanDerWaalsContact CB-CD2 3.48Å; V1637-L1774 HydrophobicContact CB-CD2 4.18Å; V1637-L1774 HydrophobicContact CG1-CD2 3.92Å; V1637-L1774 HydrophobicContact CG1-CG 3.88Å; N1770-L1774 WeakPolarHBondContact O-CB 3.46Å; N1770-L1774 PolarHBondContact O-N 3.01Å; F1771-L1774 PolarHBondContact O-N 2.7Å; L1774-F1776 VanDerWaalsContact C-N 3.33Å; L1774-F1776 PolarHBondContact O-N 2.97Å; L1774-G1777 PolarHBondContact O-N 3.22Å; L1774-K1778 HydrophobicContact CD1-CG 3.99Å; L1774-K1778 HydrophobicContact CG-CG 4.21Å; L1774-K1778 WeakPolarHBondContact O-CB 3.33Å; L1774-K1778 WeakPolarHBondContact O-CG 3.38Å; L1774-K1778 PolarHBondContact O-N 3.44Å |
| 1775 | C | 82.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.4 | -49.7 | 175.2 | -73 | 0 | 0 | 0 | 0 | 111.2 | V1637 L1663 F1771 L1779 | V1637-C1775 VanDerWaalsContact CG2-SG 3.6Å; L1663-C1775 WeakPolarHBondContact O-CB 3.41Å; F1771-C1775 WeakPolarHBondContact O-CB 3.32Å; F1771-C1775 PolarHBondContact O-N 3.13Å; F1771-C1775 PolarHBondContact O-SG 2.99Å; C1775-L1779 WeakPolarHBondContact O-CB 3.27Å; C1775-L1779 PolarHBondContact O-N 3Å |
| 1776 | F | 75.6 | Confident | 70.1 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.6 | -169.7 | -80.2 | 0 | 0 | 0 | 112.1 | A1772 L1774 L1779 L1780 I1834 R1837 Y1867 A1871 | A1772-F1776 WeakPolarHBondContact O-CB 3.42Å; A1772-F1776 PolarHBondContact O-N 3.44Å; L1774-F1776 VanDerWaalsContact C-N 3.33Å; L1774-F1776 PolarHBondContact O-N 2.97Å; F1776-L1779 PolarHBondContact O-N 3.4Å; F1776-L1780 HydrophobicContact CE1-CD1 3.89Å; F1776-L1780 VanDerWaalsContact O-CB 3.31Å; F1776-L1780 WeakPolarHBondContact O-CB 3.27Å; F1776-L1780 PolarHBondContact O-N 3.12Å; F1776-I1834 HydrophobicContact CE2-CG1 4.45Å; F1776-I1834 HydrophobicContact CE2-CG2 4.17Å; F1776-I1834 HydrophobicContact CZ-CG1 4.47Å; F1776-I1834 HydrophobicContact CZ-CG2 3.77Å; F1776-R1837 HydrophobicContact CD2-CG 4.16Å; F1776-R1837 HydrophobicContact CE2-CB 4.3Å; F1776-R1837 HydrophobicContact CE2-CG 4.04Å; F1776-Y1867 HydrophobicContact CD1-CD1 4.35Å; F1776-Y1867 AromaticContact CD1-CE1 3.59Å; F1776-Y1867 HydrophobicContact CD1-CE1 3.59Å; F1776-Y1867 HydrophobicContact CE1-CD1 4.28Å; F1776-Y1867 AromaticContact CE1-CE1 3.74Å; F1776-Y1867 HydrophobicContact CE1-CE1 3.74Å; F1776-A1871 HydrophobicContact CE1-CB 3.79Å; F1776-A1871 HydrophobicContact CZ-CB 4.01Å |
| 1777 | G | 75.3 | Confident | 69.5 | Low | 22 Ų | 22 | 44.6 Ų | 44.6 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -47.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1773 L1774 L1779 L1780 L1781 | R1773-G1777 WeakPolarHBondContact O-CA 3.29Å; R1773-G1777 PolarHBondContact O-N 3.33Å; L1774-G1777 PolarHBondContact O-N 3.22Å; G1777-L1779 VanDerWaalsContact C-N 3.34Å; G1777-L1780 PolarHBondContact O-N 3.35Å; G1777-L1781 WeakPolarHBondContact O-CB 3.43Å; G1777-L1781 PolarHBondContact O-N 2.9Å |
| 1778 | K | 80.4 | Confident | 68.5 | Low | 29 Ų | 29 | 49 Ų | 49 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 173.5 | -68.1 | -74.1 | -161.2 | 162.6 | 0 | 110.8 | V1637 D1638 D1642 L1774 L1780 L1781 H1782 | V1637-K1778 HydrophobicContact CG1-CG 4.2Å; D1638-K1778 WeakPolarHBondContact OD1-CE 3.48Å; D1638-K1778 IonicContact OD1-NZ 3.45Å; D1638-K1778 PolarHBondContact OD1-NZ 3.38Å; D1642-K1778 VanDerWaalsContact CG-NZ 3.33Å; D1642-K1778 IonicContact OD1-NZ 3.72Å; D1642-K1778 PolarHBondContact OD1-NZ 2.97Å; D1642-K1778 IonicContact OD2-NZ 3.79Å; D1642-K1778 PolarHBondContact OD2-NZ 3.19Å; L1774-K1778 HydrophobicContact CD1-CG 3.99Å; L1774-K1778 HydrophobicContact CG-CG 4.21Å; L1774-K1778 WeakPolarHBondContact O-CB 3.33Å; L1774-K1778 WeakPolarHBondContact O-CG 3.38Å; L1774-K1778 PolarHBondContact O-N 3.44Å; K1778-L1780 VanDerWaalsContact C-N 3.32Å; K1778-L1780 PolarHBondContact O-N 2.87Å; K1778-L1781 WeakPolarHBondContact O-CB 3.35Å; K1778-L1781 PolarHBondContact O-N 3.18Å; K1778-H1782 PolarHBondContact O-CD2 3.2Å; K1778-H1782 PolarHBondContact O-N 3.45Å |
| 1779 | L | 78.7 | Confident | 66.4 | Low | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -33.4 | 177.2 | -164.5 | 152.4 | 0 | 0 | 0 | 111.6 | L1663 C1775 F1776 G1777 A1783 A1830 N1833 I1834 | L1663-L1779 HydrophobicContact CB-CD1 3.91Å; C1775-L1779 WeakPolarHBondContact O-CB 3.27Å; C1775-L1779 PolarHBondContact O-N 3Å; F1776-L1779 PolarHBondContact O-N 3.4Å; G1777-L1779 VanDerWaalsContact C-N 3.34Å; L1779-A1783 VanDerWaalsContact O-CB 3.31Å; L1779-A1783 WeakPolarHBondContact O-CB 3.24Å; L1779-A1783 PolarHBondContact O-N 3.25Å; L1779-A1830 HydrophobicContact CD2-CB 3.82Å; L1779-A1830 VanDerWaalsContact CD2-O 3.29Å; L1779-A1830 WeakPolarHBondContact CD2-O 3.45Å; L1779-A1830 HydrophobicContact CG-CB 4.05Å; L1779-A1830 WeakPolarHBondContact O-CB 3.16Å; L1779-N1833 HydrophobicContact CD1-CB 4.44Å; L1779-N1833 HydrophobicContact CD2-CB 4.29Å; L1779-I1834 HydrophobicContact CD2-CD1 3.82Å; L1779-I1834 HydrophobicContact CD2-CG1 3.39Å |
| 1780 | L | 71.6 | Confident | 64.8 | Low | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 171.8 | -170.4 | 149.7 | 0 | 0 | 0 | 113 | F1776 G1777 K1778 A1783 F1784 I1834 A1871 | F1776-L1780 HydrophobicContact CE1-CD1 3.89Å; F1776-L1780 VanDerWaalsContact O-CB 3.31Å; F1776-L1780 WeakPolarHBondContact O-CB 3.27Å; F1776-L1780 PolarHBondContact O-N 3.12Å; G1777-L1780 PolarHBondContact O-N 3.35Å; K1778-L1780 VanDerWaalsContact C-N 3.32Å; K1778-L1780 PolarHBondContact O-N 2.87Å; L1780-A1783 WeakPolarHBondContact O-CB 3.35Å; L1780-A1783 PolarHBondContact O-N 3.42Å; L1780-A1783 VanDerWaalsContact O-N 3.17Å; L1780-F1784 HydrophobicContact CD2-CD2 4.28Å; L1780-F1784 HydrophobicContact CG-CD2 4.25Å; L1780-F1784 HydrophobicContact CG-CE2 4.32Å; L1780-F1784 PolarHBondContact O-N 3.37Å; L1780-I1834 HydrophobicContact CB-CD1 3.96Å; L1780-I1834 HydrophobicContact CG-CD1 4.24Å; L1780-A1871 HydrophobicContact CD1-CB 4.03Å |
| 1781 | L | 73.1 | Confident | 62.4 | Low | 97 Ų | 97 | 66.6 Ų | 66.6 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 173 | -177.3 | 149.2 | 0 | 0 | 0 | 110.7 | G1777 K1778 A1783 S1785 | G1777-L1781 WeakPolarHBondContact O-CB 3.43Å; G1777-L1781 PolarHBondContact O-N 2.9Å; K1778-L1781 WeakPolarHBondContact O-CB 3.35Å; K1778-L1781 PolarHBondContact O-N 3.18Å; L1781-A1783 VanDerWaalsContact C-N 3.29Å; L1781-A1783 PolarHBondContact O-N 3.21Å; L1781-S1785 PolarHBondContact O-N 3.4Å; L1781-S1785 PolarHBondContact O-OG 2.97Å |
| 1782 | H | 72.3 | Confident | 59.9 | Low | 23 Ų | 23 | 74.7 Ų | 74.7 | 11% | 0.106 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -73 | -17.3 | 176.4 | -72.9 | -65.5 | 0 | 0 | 0 | 113.7 | S1641 K1778 V1826 S1827 | S1641-H1782 PolarHBondContact OG-NE2 3.2Å; S1641-H1782 VanDerWaalsContact OG-NE2 3.09Å; K1778-H1782 PolarHBondContact O-CD2 3.2Å; K1778-H1782 PolarHBondContact O-N 3.45Å; H1782-V1826 HydrophobicContact CB-CG1 3.9Å; H1782-S1827 WeakPolarHBondContact O-CA 3.36Å; H1782-S1827 WeakPolarHBondContact O-CB 3.41Å |
| 1783 | A | 64.7 | Low | 57.5 | Low | 6 Ų | 6 | 79.4 Ų | 79.4 | 5% | 0.05 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -74.6 | -33 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1779 L1780 L1781 S1827 A1830 V1831 I1834 | L1779-A1783 VanDerWaalsContact O-CB 3.31Å; L1779-A1783 WeakPolarHBondContact O-CB 3.24Å; L1779-A1783 PolarHBondContact O-N 3.25Å; L1780-A1783 WeakPolarHBondContact O-CB 3.35Å; L1780-A1783 PolarHBondContact O-N 3.42Å; L1780-A1783 VanDerWaalsContact O-N 3.17Å; L1781-A1783 VanDerWaalsContact C-N 3.29Å; L1781-A1783 PolarHBondContact O-N 3.21Å; A1783-S1827 WeakPolarHBondContact O-CB 3.41Å; A1783-A1830 HydrophobicContact CB-CB 3.79Å; A1783-V1831 HydrophobicContact CB-CG2 3.81Å; A1783-I1834 HydrophobicContact CB-CD1 3.67Å |
| 1784 | F | 59.6 | Low | 55.1 | Low | 62 Ų | 62 | 79.8 Ų | 79.8 | 27% | 0.272 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -121.2 | 14.9 | -174.3 | -62.8 | -67.7 | 0 | 0 | 0 | 114.4 | L1780 T1786 M1875 S1878 | L1780-F1784 HydrophobicContact CD2-CD2 4.28Å; L1780-F1784 HydrophobicContact CG-CD2 4.25Å; L1780-F1784 HydrophobicContact CG-CE2 4.32Å; L1780-F1784 PolarHBondContact O-N 3.37Å; F1784-T1786 PolarHBondContact O-N 3.4Å; F1784-M1875 HydrophobicContact CE2-CB 4.25Å; F1784-M1875 HydrophobicContact CE2-CE 4.02Å; F1784-M1875 HydrophobicContact CZ-CB 3.85Å; F1784-M1875 HydrophobicContact CZ-CE 3.59Å; F1784-M1875 HydrophobicContact CZ-CG 3.83Å; F1784-S1878 VanDerWaalsContact CE1-OG 3.29Å; F1784-S1878 WeakPolarHBondContact CE1-OG 3.32Å |
| 1785 | S | 56.1 | Low | 53.1 | Low | 53 Ų | 53 | 83.6 Ų | 83.6 | 37% | 0.371 | 47% | 0.469 | S | S | . | . | trans | -65.7 | 93 | 174.2 | -72.9 | 0 | 0 | 0 | 0 | 110.7 | L1781 | L1781-S1785 PolarHBondContact O-N 3.4Å; L1781-S1785 PolarHBondContact O-OG 2.97Å | ||
| 1786 | T | 41.3 | Very low | 50.3 | Low | 111 Ų | 111 | 91.3 Ų | 91.3 | 68% | 0.681 | 51% | 0.509 | S | S | * | . | trans | -67.4 | 140.4 | 155.5 | 45 | 0 | 0 | 0 | 0 | 108.7 | F1784 L1788 | F1784-T1786 PolarHBondContact O-N 3.4Å; T1786-L1788 PolarHBondContact O-N 2.82Å | ||
| 1787 | P | 44.2 | Very low | 47.8 | Very low | 105 Ų | 105 | 96.1 Ų | 96.1 | 68% | 0.682 | 54% | 0.544 | S | S | * | . | trans | -62.2 | 112.5 | -179.6 | -18.7 | 31.1 | 0 | 0 | 0 | 110.6 | D1789 | P1787-D1789 PolarHBondContact O-N 3.46Š| ||
| 1788 | L | 34.2 | Very low | 45.2 | Very low | 156 Ų | 156 | 101.6 Ų | 101.6 | 82% | 0.817 | 57% | 0.573 | S | S | * | * | trans | -83.4 | 108.2 | 179.1 | -104.8 | 147.7 | 0 | 0 | 0 | 109.8 | T1786 V1790 | T1786-L1788 PolarHBondContact O-N 2.82Å; L1788-V1790 PolarHBondContact O-N 3.4Å | ||
| 1789 | D | 30.7 | Very low | 42.5 | Very low | 159 Ų | 159 | 106 Ų | 106 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | trans | -65.8 | 112.9 | 171.9 | -89.1 | -34.9 | 0 | 0 | 0 | 110.7 | P1787 R1791 | P1787-D1789 PolarHBondContact O-N 3.46Å; D1789-R1791 PolarHBondContact O-N 3.25Å | ||
| 1790 | V | 32.2 | Very low | 39.8 | Very low | 133 Ų | 133 | 113.5 Ų | 113.5 | 81% | 0.806 | 64% | 0.644 | S | S | * | * | trans | -75.5 | 121.3 | -177.1 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | L1788 | L1788-V1790 PolarHBondContact O-N 3.4Š| ||
| 1791 | R | 25.9 | Very low | 37.4 | Very low | 237 Ų | 237 | 116.7 Ų | 116.7 | 89% | 0.894 | 67% | 0.669 | S | S | * | * | trans | -108.6 | 129.4 | 160.7 | -76.5 | -172.8 | 175.8 | -175.6 | 0.1 | 110.5 | D1789 | D1789-R1791 PolarHBondContact O-N 3.25Š| ||
| 1792 | L | 28.9 | Very low | 35 | Very low | 173 Ų | 173 | 120.3 Ų | 120.3 | 91% | 0.906 | 69% | 0.688 | S | S | * | * | trans | -67.9 | 132.9 | -176.3 | -66.5 | 141.9 | 0 | 0 | 0 | 112.8 | ||||
| 1793 | S | 24.8 | Very low | 32.5 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -160.4 | 131.7 | 152.9 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1794 | S | 25.6 | Very low | 30.6 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 49.2 | 115 | 159.7 | 52.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1795 | P | 38.5 | Very low | 28.9 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -93.5 | 124.5 | 173.8 | 35 | -30.1 | 0 | 0 | 0 | 113.2 | ||||
| 1796 | I | 22.4 | Very low | 27.2 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 79.7 | 167 | -51 | 179 | 0 | 0 | 0 | 110.7 | ||||
| 1797 | S | 23.2 | Very low | 26.4 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -172.8 | 127.5 | 146.3 | 41.6 | 0 | 0 | 0 | 0 | 109.3 | P1799 | S1797-P1799 WeakPolarHBondContact O-CD 3.36Š|
| 1798 | T | 21.7 | Very low | 25.3 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -56.8 | 116.8 | -170.6 | 45.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1799 | P | 23.9 | Very low | 24.8 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -79.7 | 134.3 | 154.3 | 31.9 | -27.7 | 0 | 0 | 0 | 109.4 | S1797 S1801 | S1797-P1799 WeakPolarHBondContact O-CD 3.36Å; P1799-S1801 PolarHBondContact O-N 2.87Å; P1799-S1801 VanDerWaalsContact O-N 3.15Å | ||
| 1800 | L | 21.9 | Very low | 24.4 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -72.8 | 105.6 | 179.1 | -75.9 | 159.2 | 0 | 0 | 0 | 110.6 | L1802 | L1800-L1802 PolarHBondContact O-N 3.43Š| ||
| 1801 | S | 21.2 | Very low | 24.1 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | trans | 9.8 | 99.8 | 153.4 | 52.8 | 0 | 0 | 0 | 0 | 117.8 | P1799 | P1799-S1801 PolarHBondContact O-N 2.87Å; P1799-S1801 VanDerWaalsContact O-N 3.15Å | ||
| 1802 | L | 22.4 | Very low | 24 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -100.1 | 131.7 | 136.8 | -106.7 | 79.4 | 0 | 0 | 0 | 107.5 | L1800 | L1800-L1802 PolarHBondContact O-N 3.43Š| ||
| 1803 | E | 19.9 | Very low | 23.9 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -79.6 | 137.2 | 174.8 | -78.7 | -171.1 | 122.8 | 0 | 0 | 111.9 | ||||
| 1804 | N | 23.2 | Very low | 23.9 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | 59 | 103.5 | 148.2 | -55.6 | -27.9 | 0 | 0 | 0 | 119.3 | ||||
| 1805 | G | 23.7 | Very low | 23.9 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -173.5 | 89.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112 | V1807 | G1805-V1807 PolarHBondContact O-N 3.32Š| ||
| 1806 | H | 21.9 | Very low | 23.5 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -60.7 | 128.2 | 178.2 | -108.3 | -87.4 | 0 | 0 | 0 | 111.5 | ||||
| 1807 | V | 24.8 | Very low | 24.3 | Very low | 136 Ų | 136 | 143 Ų | 143 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -128.2 | 124.9 | 163.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | G1805 | G1805-V1807 PolarHBondContact O-N 3.32Š| ||
| 1808 | E | 21.2 | Very low | 25.2 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -77.7 | 135.4 | -174.6 | -64.6 | -176.2 | 130.2 | 0 | 0 | 112.6 | T1810 | E1808-T1810 PolarHBondContact O-N 2.79Å; E1808-T1810 VanDerWaalsContact O-N 3.14Å | ||
| 1809 | N | 22.7 | Very low | 26.4 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 104.5 | 169.1 | -94.5 | -33.9 | 0 | 0 | 0 | 110.5 | ||||
| 1810 | T | 22.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | trans | -135.5 | 144.1 | 159.1 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | E1808 | E1808-T1810 PolarHBondContact O-N 2.79Å; E1808-T1810 VanDerWaalsContact O-N 3.14Å | ||
| 1811 | N | 25.5 | Very low | 28.9 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | 81.5 | 90.9 | 164.7 | -51.8 | -38.2 | 0 | 0 | 0 | 117.3 | Y1813 | N1811-Y1813 HydrophobicContact CB-CE2 4.31Å; N1811-Y1813 PolarHBondContact O-N 3.28Å | ||
| 1812 | G | 23.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | -65.5 | 115.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1813 | Y | 26.9 | Very low | 32.5 | Very low | 210 Ų | 210 | 119.3 Ų | 119.3 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 123.8 | 169.2 | -86.1 | -92.6 | 0 | 0 | 0 | 110.5 | N1811 M1815 | N1811-Y1813 HydrophobicContact CB-CE2 4.31Å; N1811-Y1813 PolarHBondContact O-N 3.28Å; Y1813-M1815 PolarHBondContact O-N 2.85Å |
| 1814 | K | 24.4 | Very low | 34.5 | Very low | 197 Ų | 197 | 115 Ų | 115 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 128.3 | 169.9 | -68.5 | 172.3 | 175.6 | 175.5 | 0 | 109.1 | N1816 | K1814-N1816 PolarHBondContact O-N 3.49Å; K1814-N1816 VanDerWaalsContact O-N 3.13Å |
| 1815 | M | 25.3 | Very low | 36.5 | Very low | 171 Ų | 171 | 110.9 Ų | 110.9 | 84% | 0.842 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 119 | 174 | -86.3 | -67.7 | 177.7 | 0 | 0 | 110 | Y1813 | Y1813-M1815 PolarHBondContact O-N 2.85Š|
| 1816 | N | 31.9 | Very low | 38.7 | Very low | 116 Ų | 116 | 107.7 Ų | 107.7 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 132.4 | 179.9 | -97.6 | -26.7 | 0 | 0 | 0 | 109.9 | K1814 S1818 S1819 | K1814-N1816 PolarHBondContact O-N 3.49Å; K1814-N1816 VanDerWaalsContact O-N 3.13Å; N1816-S1818 PolarHBondContact O-N 3.29Å; N1816-S1819 PolarHBondContact O-N 3.31Å; N1816-S1819 VanDerWaalsContact O-N 3.11Å; N1816-S1819 PolarHBondContact O-OG 3.07Å |
| 1817 | P | 39 | Very low | 40.8 | Very low | 112 Ų | 112 | 99.4 Ų | 99.4 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 11.2 | 176.9 | 30.5 | -36.3 | 0 | 0 | 0 | 114.2 | T1820 | P1817-T1820 PolarHBondContact O-OG1 3.46Š|
| 1818 | S | 42.4 | Very low | 42.8 | Very low | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -23.8 | 167.1 | 56.7 | 0 | 0 | 0 | 0 | 113 | N1816 T1820 G1821 F1822 | N1816-S1818 PolarHBondContact O-N 3.29Å; S1818-T1820 VanDerWaalsContact C-N 3.32Å; S1818-T1820 PolarHBondContact O-N 3.3Å; S1818-G1821 PolarHBondContact O-N 2.8Å; S1818-G1821 VanDerWaalsContact O-N 3.13Å; S1818-F1822 PolarHBondContact O-N 3.45Å |
| 1819 | S | 46.4 | Very low | 45.1 | Very low | 46 Ų | 46 | 90.3 Ų | 90.3 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 112 | N1816 G1821 F1822 S1823 | N1816-S1819 PolarHBondContact O-N 3.31Å; N1816-S1819 VanDerWaalsContact O-N 3.11Å; N1816-S1819 PolarHBondContact O-OG 3.07Å; S1819-G1821 VanDerWaalsContact C-N 3.31Å; S1819-G1821 PolarHBondContact O-N 3.01Å; S1819-F1822 PolarHBondContact O-N 3.24Å; S1819-S1823 WeakPolarHBondContact O-CB 3.07Å; S1819-S1823 PolarHBondContact O-N 3.44Å |
| 1820 | T | 46.2 | Very low | 47.4 | Very low | 80 Ų | 80 | 82.3 Ų | 82.3 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 173.1 | 41.5 | 0 | 0 | 0 | 0 | 112.6 | P1817 S1818 L1824 | P1817-T1820 PolarHBondContact O-OG1 3.46Å; S1818-T1820 VanDerWaalsContact C-N 3.32Å; S1818-T1820 PolarHBondContact O-N 3.3Å; T1820-L1824 VanDerWaalsContact O-CB 3.32Å; T1820-L1824 WeakPolarHBondContact O-CB 3.32Å; T1820-L1824 PolarHBondContact O-N 3.38Å |
| 1821 | G | 51.6 | Low | 49.7 | Very low | 41 Ų | 41 | 77.9 Ų | 77.9 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1818 S1819 L1824 M1825 | S1818-G1821 PolarHBondContact O-N 2.8Å; S1818-G1821 VanDerWaalsContact O-N 3.13Å; S1819-G1821 VanDerWaalsContact C-N 3.31Å; S1819-G1821 PolarHBondContact O-N 3.01Å; G1821-L1824 PolarHBondContact O-N 3.07Å; G1821-M1825 PolarHBondContact O-N 3.25Å |
| 1822 | F | 59.1 | Low | 51.8 | Low | 41 Ų | 41 | 79.9 Ų | 79.9 | 18% | 0.18 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.3 | -85.9 | -86.5 | 0 | 0 | 0 | 112.2 | P1648 E1653 I1656 S1818 S1819 L1824 M1825 V1826 | P1648-F1822 HydrophobicContact CB-CB 4.09Å; P1648-F1822 HydrophobicContact CB-CD1 4.22Å; P1648-F1822 HydrophobicContact CB-CG 4.43Å; P1648-F1822 HydrophobicContact CG-CB 3.92Å; E1653-F1822 HydrophobicContact CG-CE1 3.66Å; E1653-F1822 HydrophobicContact CG-CZ 3.78Å; I1656-F1822 HydrophobicContact CD1-CD1 3.69Å; I1656-F1822 HydrophobicContact CD1-CE1 3.69Å; S1818-F1822 PolarHBondContact O-N 3.45Å; S1819-F1822 PolarHBondContact O-N 3.24Å; F1822-L1824 PolarHBondContact O-N 3.31Å; F1822-M1825 PolarHBondContact O-N 3.12Å; F1822-M1825 VanDerWaalsContact O-N 3.12Å; F1822-V1826 WeakPolarHBondContact O-CG2 3.33Å; F1822-V1826 PolarHBondContact O-N 3.03Å |
| 1823 | S | 60.4 | Low | 54.2 | Low | 41 Ų | 41 | 77.6 Ų | 77.6 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 174.4 | -166 | 0 | 0 | 0 | 0 | 112 | S1819 S1827 | S1819-S1823 WeakPolarHBondContact O-CB 3.07Å; S1819-S1823 PolarHBondContact O-N 3.44Å; S1823-S1827 WeakPolarHBondContact O-CB 2.89Å; S1823-S1827 PolarHBondContact O-N 2.97Å; S1823-S1827 PolarHBondContact O-OG 2.69Å |
| 1824 | L | 61 | Low | 56.5 | Low | 79 Ų | 79 | 67.7 Ų | 67.7 | 41% | 0.414 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 175.9 | -169.6 | 69.8 | 0 | 0 | 0 | 112.7 | T1820 G1821 F1822 S1827 K1828 | T1820-L1824 VanDerWaalsContact O-CB 3.32Å; T1820-L1824 WeakPolarHBondContact O-CB 3.32Å; T1820-L1824 PolarHBondContact O-N 3.38Å; G1821-L1824 PolarHBondContact O-N 3.07Å; F1822-L1824 PolarHBondContact O-N 3.31Å; L1824-S1827 WeakPolarHBondContact CA-OG 3.49Å; L1824-S1827 PolarHBondContact O-OG 2.89Å; L1824-K1828 HydrophobicContact CG-CD 4.37Å; L1824-K1828 VanDerWaalsContact O-CB 3.31Å; L1824-K1828 WeakPolarHBondContact O-CB 3.35Å; L1824-K1828 WeakPolarHBondContact O-CG 3.44Å; L1824-K1828 PolarHBondContact O-N 2.99Å |
| 1825 | M | 66.7 | Low | 58.9 | Low | 63 Ų | 63 | 58.5 Ų | 58.5 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 174.4 | -168.4 | -175.8 | 85.2 | 0 | 0 | 111.2 | I1656 G1821 F1822 A1829 | I1656-M1825 HydrophobicContact CB-CE 4.38Å; I1656-M1825 HydrophobicContact CG2-CE 4.02Å; G1821-M1825 PolarHBondContact O-N 3.25Å; F1822-M1825 PolarHBondContact O-N 3.12Å; F1822-M1825 VanDerWaalsContact O-N 3.12Å; M1825-A1829 WeakPolarHBondContact O-CB 3.46Å; M1825-A1829 PolarHBondContact O-N 3.42Å |
| 1826 | V | 68.7 | Low | 61.3 | Low | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 176 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | I1656 I1660 H1782 F1822 A1829 A1830 | I1656-V1826 HydrophobicContact CG2-CG2 3.97Å; I1660-V1826 HydrophobicContact CD1-CB 4.22Å; I1660-V1826 HydrophobicContact CD1-CG1 4.12Å; I1660-V1826 HydrophobicContact CD1-CG2 4.11Å; H1782-V1826 HydrophobicContact CB-CG1 3.9Å; F1822-V1826 WeakPolarHBondContact O-CG2 3.33Å; F1822-V1826 PolarHBondContact O-N 3.03Å; V1826-A1829 PolarHBondContact O-N 3.43Å; V1826-A1830 WeakPolarHBondContact O-CB 3.42Å; V1826-A1830 PolarHBondContact O-N 2.91Å |
| 1827 | S | 66 | Low | 63.2 | Low | 21 Ų | 21 | 51.9 Ų | 51.9 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | -178.4 | 66.6 | 0 | 0 | 0 | 0 | 113 | H1782 A1783 S1823 L1824 A1829 A1830 V1831 | H1782-S1827 WeakPolarHBondContact O-CA 3.36Å; H1782-S1827 WeakPolarHBondContact O-CB 3.41Å; A1783-S1827 WeakPolarHBondContact O-CB 3.41Å; S1823-S1827 WeakPolarHBondContact O-CB 2.89Å; S1823-S1827 PolarHBondContact O-N 2.97Å; S1823-S1827 PolarHBondContact O-OG 2.69Å; L1824-S1827 WeakPolarHBondContact CA-OG 3.49Å; L1824-S1827 PolarHBondContact O-OG 2.89Å; S1827-A1829 PolarHBondContact O-N 2.81Å; S1827-A1830 PolarHBondContact O-N 2.9Å; S1827-V1831 WeakPolarHBondContact O-CG2 3.29Å; S1827-V1831 PolarHBondContact O-N 2.68Å |
| 1828 | K | 66.5 | Low | 64.9 | Low | 80 Ų | 80 | 46.5 Ų | 46.5 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.5 | -81.6 | 179.7 | 175.5 | -101.9 | 0 | 112.1 | L1824 A1830 R1832 D1889 | L1824-K1828 HydrophobicContact CG-CD 4.37Å; L1824-K1828 VanDerWaalsContact O-CB 3.31Å; L1824-K1828 WeakPolarHBondContact O-CB 3.35Å; L1824-K1828 WeakPolarHBondContact O-CG 3.44Å; L1824-K1828 PolarHBondContact O-N 2.99Å; K1828-A1830 VanDerWaalsContact C-N 3.34Å; K1828-R1832 PolarHBondContact O-N 2.89Å; K1828-D1889 IonicContact NZ-OD1 2.64Å; K1828-D1889 PolarHBondContact NZ-OD1 2.88Å; K1828-D1889 IonicContact NZ-OD2 3.06Å; K1828-D1889 PolarHBondContact NZ-OD2 3.3Å |
| 1829 | A | 69.8 | Low | 66.5 | Low | 34 Ų | 34 | 48 Ų | 48 | 28% | 0.281 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1660 M1825 V1826 S1827 N1833 | I1660-A1829 HydrophobicContact CD1-CB 4.08Å; I1660-A1829 HydrophobicContact CG2-CB 3.99Å; M1825-A1829 WeakPolarHBondContact O-CB 3.46Å; M1825-A1829 PolarHBondContact O-N 3.42Å; V1826-A1829 PolarHBondContact O-N 3.43Å; S1827-A1829 PolarHBondContact O-N 2.81Å; A1829-N1833 PolarHBondContact O-N 3.16Å; A1829-N1833 PolarHBondContact O-ND2 3.03Å |
| 1830 | A | 71.1 | Confident | 67.8 | Low | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -51.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1779 A1783 V1826 S1827 K1828 R1832 N1833 I1834 | L1779-A1830 HydrophobicContact CD2-CB 3.82Å; L1779-A1830 VanDerWaalsContact CD2-O 3.29Å; L1779-A1830 WeakPolarHBondContact CD2-O 3.45Å; L1779-A1830 HydrophobicContact CG-CB 4.05Å; L1779-A1830 WeakPolarHBondContact O-CB 3.16Å; A1783-A1830 HydrophobicContact CB-CB 3.79Å; V1826-A1830 WeakPolarHBondContact O-CB 3.42Å; V1826-A1830 PolarHBondContact O-N 2.91Å; S1827-A1830 PolarHBondContact O-N 2.9Å; K1828-A1830 VanDerWaalsContact C-N 3.34Å; A1830-R1832 VanDerWaalsContact C-N 3.29Å; A1830-R1832 PolarHBondContact O-N 3.25Å; A1830-N1833 PolarHBondContact O-N 3.09Å; A1830-N1833 VanDerWaalsContact O-N 3.09Å; A1830-I1834 WeakPolarHBondContact O-CG1 3.31Å; A1830-I1834 PolarHBondContact O-N 3.47Å |
| 1831 | V | 70.3 | Confident | 69.1 | Low | 15 Ų | 15 | 44.6 Ų | 44.6 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -53.4 | -45.2 | 179.8 | 170 | 0 | 0 | 0 | 0 | 111.8 | A1783 S1827 N1833 I1834 L1835 M1875 I1892 | A1783-V1831 HydrophobicContact CB-CG2 3.81Å; S1827-V1831 WeakPolarHBondContact O-CG2 3.29Å; S1827-V1831 PolarHBondContact O-N 2.68Å; V1831-N1833 PolarHBondContact O-N 3.22Å; V1831-I1834 PolarHBondContact O-N 2.96Å; V1831-L1835 HydrophobicContact CG1-CD1 4.05Å; V1831-L1835 PolarHBondContact O-N 3.16Å; V1831-M1875 HydrophobicContact CG1-CE 4.15Å; V1831-I1892 HydrophobicContact CG1-CD1 3.93Å; V1831-I1892 HydrophobicContact CG1-CG1 4.16Å; V1831-I1892 HydrophobicContact CG1-CG2 4.04Å |
| 1832 | R | 71.2 | Confident | 70.3 | Confident | 173 Ų | 173 | 42.6 Ų | 42.6 | 65% | 0.653 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.4 | -43 | 179.2 | -176.5 | 175.7 | 178.5 | 161.7 | 1.8 | 112.6 | K1828 A1830 Q1836 | K1828-R1832 PolarHBondContact O-N 2.89Å; A1830-R1832 VanDerWaalsContact C-N 3.29Å; A1830-R1832 PolarHBondContact O-N 3.25Å; R1832-Q1836 PolarHBondContact O-N 3.42Å |
| 1833 | N | 73.1 | Confident | 71.1 | Confident | 38 Ų | 38 | 43 Ų | 43 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 178.7 | -82.8 | -75.4 | 0 | 0 | 0 | 112 | S1664 L1779 A1829 A1830 V1831 R1837 | S1664-N1833 WeakPolarHBondContact CB-OD1 3.49Å; S1664-N1833 PolarHBondContact OG-OD1 3.48Å; L1779-N1833 HydrophobicContact CD1-CB 4.44Å; L1779-N1833 HydrophobicContact CD2-CB 4.29Å; A1829-N1833 PolarHBondContact O-N 3.16Å; A1829-N1833 PolarHBondContact O-ND2 3.03Å; A1830-N1833 PolarHBondContact O-N 3.09Å; A1830-N1833 VanDerWaalsContact O-N 3.09Å; V1831-N1833 PolarHBondContact O-N 3.22Å; N1833-R1837 PolarHBondContact O-N 3.05Å |
| 1834 | I | 74.8 | Confident | 71.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -53.1 | 176.3 | -68.5 | 170 | 0 | 0 | 0 | 111.2 | F1776 L1779 L1780 A1783 A1830 V1831 Q1836 R1837 C1838 M1875 | F1776-I1834 HydrophobicContact CE2-CG1 4.45Å; F1776-I1834 HydrophobicContact CE2-CG2 4.17Å; F1776-I1834 HydrophobicContact CZ-CG1 4.47Å; F1776-I1834 HydrophobicContact CZ-CG2 3.77Å; L1779-I1834 HydrophobicContact CD2-CD1 3.82Å; L1779-I1834 HydrophobicContact CD2-CG1 3.39Å; L1780-I1834 HydrophobicContact CB-CD1 3.96Å; L1780-I1834 HydrophobicContact CG-CD1 4.24Å; A1783-I1834 HydrophobicContact CB-CD1 3.67Å; A1830-I1834 WeakPolarHBondContact O-CG1 3.31Å; A1830-I1834 PolarHBondContact O-N 3.47Å; V1831-I1834 PolarHBondContact O-N 2.96Å; I1834-Q1836 VanDerWaalsContact C-N 3.3Å; I1834-Q1836 PolarHBondContact O-N 3.1Å; I1834-R1837 PolarHBondContact O-N 2.96Å; I1834-R1837 VanDerWaalsContact O-N 3.08Å; I1834-C1838 PolarHBondContact O-N 2.97Å; I1834-C1838 PolarHBondContact O-SG 3.38Å; I1834-C1838 VanDerWaalsContact O-SG 3.36Å; I1834-M1875 HydrophobicContact CB-CE 4.06Å; I1834-M1875 HydrophobicContact CD1-CE 4.41Å; I1834-M1875 HydrophobicContact CG2-CE 3.64Å; I1834-M1875 HydrophobicContact CG2-SD 4.43Å |
| 1835 | L | 75.4 | Confident | 72.1 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | -177.1 | -77.1 | 164.5 | 0 | 0 | 0 | 111.8 | V1831 R1837 C1838 R1839 M1875 I1892 I1896 L1899 | V1831-L1835 HydrophobicContact CG1-CD1 4.05Å; V1831-L1835 PolarHBondContact O-N 3.16Å; L1835-R1837 PolarHBondContact O-N 2.95Å; L1835-C1838 PolarHBondContact O-N 3.42Å; L1835-R1839 PolarHBondContact O-N 3.41Å; L1835-M1875 HydrophobicContact CD1-SD 4.37Å; L1835-M1875 HydrophobicContact CD2-SD 3.49Å; L1835-M1875 WeakPolarHBondContact CD2-SD 3.39Å; L1835-M1875 HydrophobicContact CG-CE 4.23Å; L1835-M1875 HydrophobicContact CG-SD 3.77Å; L1835-I1892 HydrophobicContact CD1-CB 4.45Å; L1835-I1892 HydrophobicContact CD1-CG2 3.84Å; L1835-I1896 HydrophobicContact CD1-CG1 4.38Å; L1835-I1896 HydrophobicContact CD2-CG1 3.71Å; L1835-L1899 HydrophobicContact CD2-CD1 3.56Å |
| 1836 | Q | 75 | Confident | 72.1 | Confident | 131 Ų | 131 | 41 Ų | 41 | 61% | 0.612 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -65.7 | -37 | 177 | -169.2 | 170.4 | -11.5 | 0 | 0 | 112.4 | R1832 I1834 S1840 | R1832-Q1836 PolarHBondContact O-N 3.42Å; I1834-Q1836 VanDerWaalsContact C-N 3.3Å; I1834-Q1836 PolarHBondContact O-N 3.1Å; Q1836-S1840 PolarHBondContact O-N 3.43Å |
| 1837 | R | 71.9 | Confident | 72.3 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 6% | 0.06 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -47.2 | 173.8 | -179.8 | 60.1 | -174.8 | -172.6 | -4 | 111.7 | S1667 V1668 F1776 N1833 I1834 L1835 R1839 S1840 I1841 E1864 | S1667-R1837 PolarHBondContact O-NE 3.4Å; S1667-R1837 VanDerWaalsContact O-NE 3.07Å; S1667-R1837 PolarHBondContact O-NH2 3.3Å; V1668-R1837 VanDerWaalsContact CA-NH1 3.28Å; V1668-R1837 PolarHBondContact O-NH1 3.24Å; F1776-R1837 HydrophobicContact CD2-CG 4.16Å; F1776-R1837 HydrophobicContact CE2-CB 4.3Å; F1776-R1837 HydrophobicContact CE2-CG 4.04Å; N1833-R1837 PolarHBondContact O-N 3.05Å; I1834-R1837 PolarHBondContact O-N 2.96Å; I1834-R1837 VanDerWaalsContact O-N 3.08Å; L1835-R1837 PolarHBondContact O-N 2.95Å; R1837-R1839 VanDerWaalsContact C-N 3.32Å; R1837-R1839 PolarHBondContact O-N 2.92Å; R1837-S1840 PolarHBondContact O-N 3.01Å; R1837-S1840 VanDerWaalsContact O-N 3.16Å; R1837-I1841 HydrophobicContact CG-CD1 3.84Å; R1837-I1841 HydrophobicContact CG-CG1 4.46Å; R1837-I1841 VanDerWaalsContact NE-CD1 3.34Å; R1837-I1841 WeakPolarHBondContact O-CG1 3.29Å; R1837-I1841 PolarHBondContact O-N 2.94Å; R1837-E1864 IonicContact CZ-OE1 3.77Å; R1837-E1864 IonicContact NE-OE1 2.75Å; R1837-E1864 IonicContact NH2-OE1 2.84Å; R1837-E1864 PolarHBondContact NH2-OE1 2.81Å |
| 1838 | C | 74.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.2 | -47.7 | 176.4 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | I1834 L1835 S1840 I1841 L1842 V1868 L1872 L1899 | I1834-C1838 PolarHBondContact O-N 2.97Å; I1834-C1838 PolarHBondContact O-SG 3.38Å; I1834-C1838 VanDerWaalsContact O-SG 3.36Å; L1835-C1838 PolarHBondContact O-N 3.42Å; C1838-S1840 PolarHBondContact O-N 3.03Å; C1838-I1841 PolarHBondContact O-N 3.47Å; C1838-L1842 WeakPolarHBondContact O-CD1 3.47Å; C1838-L1842 WeakPolarHBondContact O-CG 3.41Å; C1838-L1842 PolarHBondContact O-N 3.13Å; C1838-L1842 VanDerWaalsContact O-N 3.07Å; C1838-V1868 HydrophobicContact CB-CG1 3.96Å; C1838-L1872 HydrophobicContact CB-CD1 4.34Å; C1838-L1872 HydrophobicContact CB-CD2 4.06Å; C1838-L1872 HydrophobicContact CB-CG 4.28Å; C1838-L1899 HydrophobicContact CB-CD2 4.37Å |
| 1839 | R | 76.2 | Confident | 72.4 | Confident | 94 Ų | 94 | 44 Ų | 44 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 176.3 | -173.9 | -176.7 | -173.7 | 159 | 12.4 | 112.3 | L1835 R1837 I1841 L1842 I1843 E1898 L1899 | L1835-R1839 PolarHBondContact O-N 3.41Å; R1837-R1839 VanDerWaalsContact C-N 3.32Å; R1837-R1839 PolarHBondContact O-N 2.92Å; R1839-I1841 VanDerWaalsContact C-N 3.34Å; R1839-I1841 PolarHBondContact O-N 2.89Å; R1839-L1842 PolarHBondContact O-N 3.13Å; R1839-I1843 HydrophobicContact CG-CD1 3.9Å; R1839-I1843 WeakPolarHBondContact O-CG1 3.46Å; R1839-I1843 PolarHBondContact O-N 3.02Å; R1839-I1843 VanDerWaalsContact O-N 3.17Å; R1839-E1898 IonicContact CZ-OE2 3.07Å; R1839-E1898 IonicContact NH1-OE2 2.74Å; R1839-E1898 PolarHBondContact NH1-OE2 3.33Å; R1839-E1898 IonicContact NH2-OE2 3.67Å; R1839-E1898 PolarHBondContact NH2-OE2 3.42Å; R1839-L1899 HydrophobicContact CB-CD2 3.77Å; R1839-L1899 HydrophobicContact CG-CD2 4.38Å |
| 1840 | S | 73.9 | Confident | 72.2 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -38.5 | -179.6 | -167.2 | 0 | 0 | 0 | 0 | 112.5 | Q1836 R1837 C1838 K1844 | Q1836-S1840 PolarHBondContact O-N 3.43Å; R1837-S1840 PolarHBondContact O-N 3.01Å; R1837-S1840 VanDerWaalsContact O-N 3.16Å; C1838-S1840 PolarHBondContact O-N 3.03Å; S1840-K1844 WeakPolarHBondContact O-CB 3.34Å; S1840-K1844 WeakPolarHBondContact O-CG 3.37Å; S1840-K1844 PolarHBondContact O-N 3.31Å |
| 1841 | I | 74.2 | Confident | 71.9 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | 178.8 | -66.5 | 166.5 | 0 | 0 | 0 | 111.1 | R1837 C1838 R1839 K1844 F1845 R1861 E1864 I1865 V1868 | R1837-I1841 HydrophobicContact CG-CD1 3.84Å; R1837-I1841 HydrophobicContact CG-CG1 4.46Å; R1837-I1841 VanDerWaalsContact NE-CD1 3.34Å; R1837-I1841 WeakPolarHBondContact O-CG1 3.29Å; R1837-I1841 PolarHBondContact O-N 2.94Å; C1838-I1841 PolarHBondContact O-N 3.47Å; R1839-I1841 VanDerWaalsContact C-N 3.34Å; R1839-I1841 PolarHBondContact O-N 2.89Å; I1841-K1844 PolarHBondContact O-N 3.35Å; I1841-F1845 WeakPolarHBondContact O-CB 3.31Å; I1841-F1845 PolarHBondContact O-N 3.31Å; I1841-R1861 PolarHBondContact O-NH2 3.42Å; I1841-E1864 HydrophobicContact CD1-CG 3.87Å; I1841-E1864 WeakPolarHBondContact CD1-OE1 3.18Å; I1841-E1864 HydrophobicContact CG1-CG 4.35Å; I1841-E1864 WeakPolarHBondContact CG1-OE1 3.11Å; I1841-E1864 HydrophobicContact CG2-CG 3.99Å; I1841-I1865 HydrophobicContact CG2-CD1 3.83Å; I1841-V1868 HydrophobicContact CB-CG2 4Å; I1841-V1868 HydrophobicContact CD1-CG2 3.33Å; I1841-V1868 HydrophobicContact CG1-CG2 4.27Å; I1841-V1868 HydrophobicContact CG2-CG2 3.86Å |
| 1842 | L | 76 | Confident | 71.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.5 | -52.1 | 179.4 | -71.7 | 161 | 0 | 0 | 0 | 111.8 | C1838 R1839 K1844 F1845 Y1846 I1865 V1868 F1869 L1872 L1899 H1902 I1903 | C1838-L1842 WeakPolarHBondContact O-CD1 3.47Å; C1838-L1842 WeakPolarHBondContact O-CG 3.41Å; C1838-L1842 PolarHBondContact O-N 3.13Å; C1838-L1842 VanDerWaalsContact O-N 3.07Å; R1839-L1842 PolarHBondContact O-N 3.13Å; L1842-K1844 VanDerWaalsContact C-N 3.32Å; L1842-K1844 PolarHBondContact O-N 3.21Å; L1842-F1845 PolarHBondContact O-N 3.06Å; L1842-F1845 VanDerWaalsContact O-N 3.17Å; L1842-Y1846 PolarHBondContact O-N 3.43Å; L1842-I1865 HydrophobicContact CD2-CD1 3.86Å; L1842-I1865 HydrophobicContact CG-CD1 4.4Å; L1842-V1868 HydrophobicContact CG-CG1 4.27Å; L1842-F1869 HydrophobicContact CD2-CD1 4.3Å; L1842-F1869 HydrophobicContact CD2-CE1 3.44Å; L1842-F1869 VanDerWaalsContact CD2-CE1 3.44Å; L1842-F1869 HydrophobicContact CD2-CZ 3.99Å; L1842-L1872 HydrophobicContact CD1-CD1 4.19Å; L1842-L1899 HydrophobicContact CD1-CD2 3.49Å; L1842-L1899 VanDerWaalsContact CD1-CD2 3.49Å; L1842-H1902 HydrophobicContact CB-CB 4.09Å; L1842-H1902 HydrophobicContact CD1-CB 4.49Å; L1842-I1903 HydrophobicContact CD1-CG1 4Å; L1842-I1903 HydrophobicContact CD2-CG1 4.32Å |
| 1843 | I | 75.7 | Confident | 71.1 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 178.8 | -66.9 | 167.8 | 0 | 0 | 0 | 110.7 | R1839 Q1847 | R1839-I1843 HydrophobicContact CG-CD1 3.9Å; R1839-I1843 WeakPolarHBondContact O-CG1 3.46Å; R1839-I1843 PolarHBondContact O-N 3.02Å; R1839-I1843 VanDerWaalsContact O-N 3.17Å; I1843-Q1847 WeakPolarHBondContact O-CB 3.33Å; I1843-Q1847 VanDerWaalsContact O-CG 3.31Å; I1843-Q1847 WeakPolarHBondContact O-CG 3.35Å; I1843-Q1847 PolarHBondContact O-N 3.01Å |
| 1844 | K | 72.2 | Confident | 70.2 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 178 | -77.4 | 178.7 | 177.7 | -177.6 | 0 | 112.4 | S1840 I1841 L1842 Q1847 S1848 | S1840-K1844 WeakPolarHBondContact O-CB 3.34Å; S1840-K1844 WeakPolarHBondContact O-CG 3.37Å; S1840-K1844 PolarHBondContact O-N 3.31Å; I1841-K1844 PolarHBondContact O-N 3.35Å; L1842-K1844 VanDerWaalsContact C-N 3.32Å; L1842-K1844 PolarHBondContact O-N 3.21Å; K1844-Q1847 PolarHBondContact O-N 3.48Å; K1844-S1848 WeakPolarHBondContact O-CB 3.39Å; K1844-S1848 PolarHBondContact O-N 2.93Å; K1844-S1848 PolarHBondContact O-OG 2.89Å; K1844-S1848 VanDerWaalsContact O-OG 3.08Å |
| 1845 | F | 70.6 | Confident | 69.1 | Low | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 179.1 | 175 | -98 | 0 | 0 | 0 | 111.6 | I1841 L1842 S1849 L1857 R1861 L1862 I1865 V1909 | I1841-F1845 WeakPolarHBondContact O-CB 3.31Å; I1841-F1845 PolarHBondContact O-N 3.31Å; L1842-F1845 PolarHBondContact O-N 3.06Å; L1842-F1845 VanDerWaalsContact O-N 3.17Å; F1845-S1849 WeakPolarHBondContact O-CB 3.35Å; F1845-S1849 PolarHBondContact O-N 2.83Å; F1845-S1849 PolarHBondContact O-OG 3.28Å; F1845-L1857 HydrophobicContact CD2-CD2 4.26Å; F1845-L1857 HydrophobicContact CE2-CD2 4.04Å; F1845-R1861 HydrophobicContact CD2-CG 4.24Å; F1845-L1862 HydrophobicContact CE2-CD2 4.14Å; F1845-I1865 HydrophobicContact CB-CD1 3.58Å; F1845-I1865 HydrophobicContact CB-CG1 4.18Å; F1845-I1865 HydrophobicContact CD1-CD1 4Å; F1845-I1865 HydrophobicContact CD1-CG1 3.83Å; F1845-I1865 HydrophobicContact CD2-CB 3.96Å; F1845-I1865 HydrophobicContact CD2-CD1 4.35Å; F1845-I1865 HydrophobicContact CD2-CG1 4.05Å; F1845-I1865 HydrophobicContact CD2-CG2 4.05Å; F1845-I1865 HydrophobicContact CE1-CG1 4.22Å; F1845-I1865 HydrophobicContact CE2-CB 4.24Å; F1845-I1865 HydrophobicContact CE2-CG1 4.43Å; F1845-I1865 HydrophobicContact CE2-CG2 3.8Å; F1845-I1865 HydrophobicContact CG-CB 4.16Å; F1845-I1865 HydrophobicContact CG-CD1 3.71Å; F1845-I1865 HydrophobicContact CG-CG1 3.74Å; F1845-I1865 HydrophobicContact CZ-CG2 4.07Å; F1845-V1909 HydrophobicContact CE1-CG1 4.15Å; F1845-V1909 HydrophobicContact CZ-CG1 4.39Å |
| 1846 | Y | 67.9 | Low | 68.4 | Low | 52 Ų | 52 | 73.4 Ų | 73.4 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.8 | 175.9 | -119.2 | 0 | 0 | 0 | 112.1 | L1842 S1849 R1850 D1905 V1909 | L1842-Y1846 PolarHBondContact O-N 3.43Å; Y1846-S1849 PolarHBondContact O-N 2.92Å; Y1846-R1850 HydrophobicContact CE2-CG 4.49Å; Y1846-R1850 PolarHBondContact O-N 2.61Å; Y1846-D1905 HydrophobicContact CD1-CB 4.19Å; Y1846-D1905 HydrophobicContact CD2-CB 3.83Å; Y1846-D1905 WeakPolarHBondContact CD2-O 3.32Å; Y1846-D1905 HydrophobicContact CE1-CB 4.28Å; Y1846-D1905 HydrophobicContact CE2-CB 3.97Å; Y1846-D1905 HydrophobicContact CG-CB 3.95Å; Y1846-V1909 HydrophobicContact CD2-CG2 3.83Å; Y1846-V1909 HydrophobicContact CE2-CG2 4.15Å |
| 1847 | Q | 72.3 | Confident | 67.8 | Low | 110 Ų | 110 | 68.7 Ų | 68.7 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 177.8 | -73.6 | 175 | -8.9 | 0 | 0 | 112.9 | I1843 K1844 S1849 R1850 L1851 | I1843-Q1847 WeakPolarHBondContact O-CB 3.33Å; I1843-Q1847 VanDerWaalsContact O-CG 3.31Å; I1843-Q1847 WeakPolarHBondContact O-CG 3.35Å; I1843-Q1847 PolarHBondContact O-N 3.01Å; K1844-Q1847 PolarHBondContact O-N 3.48Å; Q1847-S1849 VanDerWaalsContact C-N 3.33Å; Q1847-S1849 PolarHBondContact O-N 2.7Å; Q1847-R1850 PolarHBondContact O-N 3.29Å; Q1847-L1851 WeakPolarHBondContact O-CG 3.41Å |
| 1848 | S | 68.1 | Low | 67.4 | Low | 46 Ų | 46 | 71.9 Ų | 71.9 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | K1844 R1850 L1851 I1852 | K1844-S1848 WeakPolarHBondContact O-CB 3.39Å; K1844-S1848 PolarHBondContact O-N 2.93Å; K1844-S1848 PolarHBondContact O-OG 2.89Å; K1844-S1848 VanDerWaalsContact O-OG 3.08Å; S1848-R1850 VanDerWaalsContact C-N 3.32Å; S1848-R1850 PolarHBondContact O-N 3.38Å; S1848-L1851 PolarHBondContact O-N 2.74Å; S1848-I1852 VanDerWaalsContact O-CD1 3.3Å; S1848-I1852 WeakPolarHBondContact O-CD1 3.42Å; S1848-I1852 VanDerWaalsContact O-CG1 3.24Å; S1848-I1852 WeakPolarHBondContact O-CG1 3.19Å; S1848-I1852 PolarHBondContact O-N 2.9Å |
| 1849 | S | 66.2 | Low | 66.8 | Low | 16 Ų | 16 | 81.7 Ų | 81.7 | 11% | 0.112 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.4 | -34.8 | -176.8 | -52.1 | 0 | 0 | 0 | 0 | 112.9 | F1845 Y1846 Q1847 L1851 L1857 V1909 | F1845-S1849 WeakPolarHBondContact O-CB 3.35Å; F1845-S1849 PolarHBondContact O-N 2.83Å; F1845-S1849 PolarHBondContact O-OG 3.28Å; Y1846-S1849 PolarHBondContact O-N 2.92Å; Q1847-S1849 VanDerWaalsContact C-N 3.33Å; Q1847-S1849 PolarHBondContact O-N 2.7Å; S1849-L1851 PolarHBondContact O-N 3.27Å; S1849-L1857 WeakPolarHBondContact OG-CD1 3.47Å; S1849-L1857 WeakPolarHBondContact OG-CD2 3.47Å; S1849-V1909 WeakPolarHBondContact OG-CG1 3.44Å |
| 1850 | R | 65.2 | Low | 66.1 | Low | 186 Ų | 186 | 79 Ų | 79 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.5 | -23.9 | 172.5 | -89.7 | -173.4 | 61.6 | 171.3 | -2.7 | 114.2 | Y1846 Q1847 S1848 | Y1846-R1850 HydrophobicContact CE2-CG 4.49Å; Y1846-R1850 PolarHBondContact O-N 2.61Å; Q1847-R1850 PolarHBondContact O-N 3.29Å; S1848-R1850 VanDerWaalsContact C-N 3.32Å; S1848-R1850 PolarHBondContact O-N 3.38Å |
| 1851 | L | 65.2 | Low | 65.7 | Low | 151 Ų | 151 | 79 Ų | 79 | 79% | 0.791 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -93.1 | -19.1 | -175.1 | -67.7 | 163.6 | 0 | 0 | 0 | 113.6 | Q1847 S1848 S1849 | Q1847-L1851 WeakPolarHBondContact O-CG 3.41Å; S1848-L1851 PolarHBondContact O-N 2.74Å; S1849-L1851 PolarHBondContact O-N 3.27Å |
| 1852 | I | 64.2 | Low | 65.3 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 28% | 0.282 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -88.2 | -14.9 | -167.7 | -67.6 | 163.9 | 0 | 0 | 0 | 113 | S1848 K1854 C1855 L1857 | S1848-I1852 VanDerWaalsContact O-CD1 3.3Å; S1848-I1852 WeakPolarHBondContact O-CD1 3.42Å; S1848-I1852 VanDerWaalsContact O-CG1 3.24Å; S1848-I1852 WeakPolarHBondContact O-CG1 3.19Å; S1848-I1852 PolarHBondContact O-N 2.9Å; I1852-K1854 PolarHBondContact O-N 2.9Å; I1852-C1855 HydrophobicContact CG2-CB 3.51Å; I1852-C1855 WeakPolarHBondContact CG2-O 3.32Å; I1852-C1855 PolarHBondContact O-N 3.38Å; I1852-L1857 HydrophobicContact CD1-CD2 3.89Å; I1852-L1857 HydrophobicContact CD1-CG 3.83Å |
| 1853 | G | 60.8 | Low | 64.9 | Low | 70 Ų | 70 | 85.2 Ų | 85.2 | 72% | 0.722 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -117.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1854 | K | 53.9 | Low | 64.6 | Low | 217 Ų | 217 | 84 Ų | 84 | 94% | 0.943 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -3.7 | 178.6 | -74 | -168.9 | 177.3 | -175.9 | 0 | 114.6 | I1852 | I1852-K1854 PolarHBondContact O-N 2.9Š|
| 1855 | C | 52 | Low | 64.7 | Low | 89 Ų | 89 | 80 Ų | 80 | 60% | 0.601 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -76.2 | 146.9 | 176.4 | -79.5 | 0 | 0 | 0 | 0 | 111.3 | I1852 | I1852-C1855 HydrophobicContact CG2-CB 3.51Å; I1852-C1855 WeakPolarHBondContact CG2-O 3.32Å; I1852-C1855 PolarHBondContact O-N 3.38Å |
| 1856 | P | 61.5 | Low | 64.9 | Low | 118 Ų | 118 | 80.8 Ų | 80.8 | 77% | 0.766 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 146.3 | 172.8 | 29.3 | -33.8 | 0 | 0 | 0 | 111 | ||
| 1857 | L | 62.2 | Low | 65.1 | Low | 32 Ų | 32 | 82.5 Ų | 82.5 | 17% | 0.168 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 148.5 | 173.3 | -81.7 | 111.6 | 0 | 0 | 0 | 111.8 | F1845 S1849 I1852 R1859 L1862 | F1845-L1857 HydrophobicContact CD2-CD2 4.26Å; F1845-L1857 HydrophobicContact CE2-CD2 4.04Å; S1849-L1857 WeakPolarHBondContact OG-CD1 3.47Å; S1849-L1857 WeakPolarHBondContact OG-CD2 3.47Å; I1852-L1857 HydrophobicContact CD1-CD2 3.89Å; I1852-L1857 HydrophobicContact CD1-CG 3.83Å; L1857-R1859 PolarHBondContact O-N 2.83Å; L1857-L1862 HydrophobicContact CB-CD1 4.25Å; L1857-L1862 HydrophobicContact CB-CD2 4.07Å; L1857-L1862 HydrophobicContact CB-CG 4.01Å; L1857-L1862 WeakPolarHBondContact O-CD1 3.44Å |
| 1858 | P | 63 | Low | 65.3 | Low | 82 Ų | 82 | 77.4 Ų | 77.4 | 53% | 0.532 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 134.6 | 174.6 | -25.9 | 34.7 | 0 | 0 | 0 | 112.4 | A1860 R1861 L1862 | P1858-A1860 VanDerWaalsContact C-N 3.27Å; P1858-A1860 PolarHBondContact O-N 3.39Å; P1858-R1861 WeakPolarHBondContact O-CB 3.32Å; P1858-R1861 PolarHBondContact O-N 2.87Å; P1858-L1862 PolarHBondContact O-N 2.87Å |
| 1859 | R | 62.2 | Low | 65.9 | Low | 207 Ų | 207 | 75.2 Ų | 75.2 | 78% | 0.781 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -53.5 | -40.5 | -176.1 | -166.2 | 175.5 | -176.1 | 172.3 | -0.3 | 112.9 | L1857 R1861 L1862 L1863 | L1857-R1859 PolarHBondContact O-N 2.83Å; R1859-R1861 VanDerWaalsContact C-N 3.32Å; R1859-R1861 PolarHBondContact O-N 3.36Å; R1859-L1862 PolarHBondContact O-N 3.49Å; R1859-L1863 HydrophobicContact CG-CD1 4.3Å; R1859-L1863 WeakPolarHBondContact O-CG 3.36Å; R1859-L1863 PolarHBondContact O-N 3.38Å |
| 1860 | A | 60.4 | Low | 66.3 | Low | 38 Ų | 38 | 80 Ų | 80 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.4 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1858 L1863 E1864 | P1858-A1860 VanDerWaalsContact C-N 3.27Å; P1858-A1860 PolarHBondContact O-N 3.39Å; A1860-L1863 PolarHBondContact O-N 3.04Å; A1860-E1864 WeakPolarHBondContact O-CB 3.38Å; A1860-E1864 PolarHBondContact O-N 2.92Å |
| 1861 | R | 65.8 | Low | 66.5 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 18% | 0.177 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -73.7 | -33.3 | 178 | -157.6 | 76.4 | -168.8 | 157.2 | 20.1 | 112 | I1841 F1845 P1858 R1859 E1864 I1865 | I1841-R1861 PolarHBondContact O-NH2 3.42Å; F1845-R1861 HydrophobicContact CD2-CG 4.24Å; P1858-R1861 WeakPolarHBondContact O-CB 3.32Å; P1858-R1861 PolarHBondContact O-N 2.87Å; R1859-R1861 VanDerWaalsContact C-N 3.32Å; R1859-R1861 PolarHBondContact O-N 3.36Å; R1861-E1864 IonicContact CZ-OE2 3.46Å; R1861-E1864 IonicContact NE-OE2 2.79Å; R1861-E1864 IonicContact NH1-OE1 3Å; R1861-E1864 IonicContact NH1-OE2 3.21Å; R1861-E1864 PolarHBondContact NH1-OE2 3.02Å; R1861-E1864 IonicContact NH2-OE2 2.7Å; R1861-I1865 PolarHBondContact O-N 3Å |
| 1862 | L | 67.2 | Low | 67.2 | Low | 50 Ų | 50 | 64.3 Ų | 64.3 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 172.7 | -66.2 | 167.7 | 0 | 0 | 0 | 111.8 | F1845 L1857 P1858 R1859 I1865 S1866 I1916 | F1845-L1862 HydrophobicContact CE2-CD2 4.14Å; L1857-L1862 HydrophobicContact CB-CD1 4.25Å; L1857-L1862 HydrophobicContact CB-CD2 4.07Å; L1857-L1862 HydrophobicContact CB-CG 4.01Å; L1857-L1862 WeakPolarHBondContact O-CD1 3.44Å; P1858-L1862 PolarHBondContact O-N 2.87Å; R1859-L1862 PolarHBondContact O-N 3.49Å; L1862-I1865 WeakPolarHBondContact O-CG2 3.38Å; L1862-S1866 WeakPolarHBondContact O-CB 3.28Å; L1862-S1866 PolarHBondContact O-N 3.16Å; L1862-S1866 VanDerWaalsContact O-N 3.13Å; L1862-I1916 HydrophobicContact CB-CD1 4.13Å; L1862-I1916 HydrophobicContact CD2-CD1 3.4Å; L1862-I1916 HydrophobicContact CG-CD1 4.36Å |
| 1863 | L | 66 | Low | 67.9 | Low | 85 Ų | 85 | 62.8 Ų | 62.8 | 45% | 0.445 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.4 | -45.9 | 172.3 | -71.2 | 170.4 | 0 | 0 | 0 | 111.4 | R1859 A1860 I1865 S1866 Y1867 | R1859-L1863 HydrophobicContact CG-CD1 4.3Å; R1859-L1863 WeakPolarHBondContact O-CG 3.36Å; R1859-L1863 PolarHBondContact O-N 3.38Å; A1860-L1863 PolarHBondContact O-N 3.04Å; L1863-I1865 PolarHBondContact O-N 3.5Å; L1863-S1866 PolarHBondContact O-N 3.08Å; L1863-Y1867 WeakPolarHBondContact O-CB 3.32Å; L1863-Y1867 PolarHBondContact O-N 3.26Å |
| 1864 | E | 70.1 | Confident | 68.5 | Low | 26 Ų | 26 | 63 Ų | 63 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.3 | -168.9 | -175.2 | -158.7 | 0 | 0 | 112 | R1837 I1841 A1860 R1861 Y1867 V1868 | R1837-E1864 IonicContact CZ-OE1 3.77Å; R1837-E1864 IonicContact NE-OE1 2.75Å; R1837-E1864 IonicContact NH2-OE1 2.84Å; R1837-E1864 PolarHBondContact NH2-OE1 2.81Å; I1841-E1864 HydrophobicContact CD1-CG 3.87Å; I1841-E1864 WeakPolarHBondContact CD1-OE1 3.18Å; I1841-E1864 HydrophobicContact CG1-CG 4.35Å; I1841-E1864 WeakPolarHBondContact CG1-OE1 3.11Å; I1841-E1864 HydrophobicContact CG2-CG 3.99Å; A1860-E1864 WeakPolarHBondContact O-CB 3.38Å; A1860-E1864 PolarHBondContact O-N 2.92Å; R1861-E1864 IonicContact CZ-OE2 3.46Å; R1861-E1864 IonicContact NE-OE2 2.79Å; R1861-E1864 IonicContact NH1-OE1 3Å; R1861-E1864 IonicContact NH1-OE2 3.21Å; R1861-E1864 PolarHBondContact NH1-OE2 3.02Å; R1861-E1864 IonicContact NH2-OE2 2.7Å; E1864-Y1867 PolarHBondContact O-N 2.94Å; E1864-V1868 WeakPolarHBondContact O-CG2 3.47Å; E1864-V1868 PolarHBondContact O-N 3.46Å |
| 1865 | I | 74.8 | Confident | 69.4 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.4 | -39 | 176.7 | -154.1 | 69.5 | 0 | 0 | 0 | 112 | I1841 L1842 F1845 R1861 L1862 L1863 Y1867 V1868 F1869 I1916 | I1841-I1865 HydrophobicContact CG2-CD1 3.83Å; L1842-I1865 HydrophobicContact CD2-CD1 3.86Å; L1842-I1865 HydrophobicContact CG-CD1 4.4Å; F1845-I1865 HydrophobicContact CB-CD1 3.58Å; F1845-I1865 HydrophobicContact CB-CG1 4.18Å; F1845-I1865 HydrophobicContact CD1-CD1 4Å; F1845-I1865 HydrophobicContact CD1-CG1 3.83Å; F1845-I1865 HydrophobicContact CD2-CB 3.96Å; F1845-I1865 HydrophobicContact CD2-CD1 4.35Å; F1845-I1865 HydrophobicContact CD2-CG1 4.05Å; F1845-I1865 HydrophobicContact CD2-CG2 4.05Å; F1845-I1865 HydrophobicContact CE1-CG1 4.22Å; F1845-I1865 HydrophobicContact CE2-CB 4.24Å; F1845-I1865 HydrophobicContact CE2-CG1 4.43Å; F1845-I1865 HydrophobicContact CE2-CG2 3.8Å; F1845-I1865 HydrophobicContact CG-CB 4.16Å; F1845-I1865 HydrophobicContact CG-CD1 3.71Å; F1845-I1865 HydrophobicContact CG-CG1 3.74Å; F1845-I1865 HydrophobicContact CZ-CG2 4.07Å; R1861-I1865 PolarHBondContact O-N 3Å; L1862-I1865 WeakPolarHBondContact O-CG2 3.38Å; L1863-I1865 PolarHBondContact O-N 3.5Å; I1865-Y1867 VanDerWaalsContact C-N 3.31Å; I1865-Y1867 PolarHBondContact O-N 3.47Å; I1865-V1868 PolarHBondContact O-N 3.41Å; I1865-F1869 HydrophobicContact CD1-CZ 4.44Å; I1865-F1869 HydrophobicContact CG1-CD2 4.37Å; I1865-F1869 HydrophobicContact CG1-CE2 3.74Å; I1865-F1869 HydrophobicContact CG1-CZ 3.84Å; I1865-F1869 HydrophobicContact CG2-CE2 4.46Å; I1865-F1869 VanDerWaalsContact O-CD2 3.32Å; I1865-F1869 WeakPolarHBondContact O-CD2 3.23Å; I1865-F1869 WeakPolarHBondContact O-CG 3.44Å; I1865-F1869 PolarHBondContact O-N 3.41Å; I1865-I1916 HydrophobicContact CG2-CD1 3.94Å; I1865-I1916 HydrophobicContact CG2-CG2 4.45Å |
| 1866 | S | 73.5 | Confident | 70.3 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 174.4 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | L1862 L1863 F1869 K1870 | L1862-S1866 WeakPolarHBondContact O-CB 3.28Å; L1862-S1866 PolarHBondContact O-N 3.16Å; L1862-S1866 VanDerWaalsContact O-N 3.13Å; L1863-S1866 PolarHBondContact O-N 3.08Å; S1866-F1869 PolarHBondContact O-N 2.82Å; S1866-K1870 WeakPolarHBondContact O-CG 3.4Å; S1866-K1870 PolarHBondContact O-N 3.02Å |
| 1867 | Y | 71.8 | Confident | 70.9 | Confident | 89 Ų | 89 | 46.2 Ų | 46.2 | 35% | 0.349 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 175.5 | -163 | -80.6 | 0 | 0 | 0 | 111.6 | R1773 F1776 L1863 E1864 I1865 F1869 K1870 A1871 | R1773-Y1867 HydrophobicContact CG-CE2 4.04Å; F1776-Y1867 HydrophobicContact CD1-CD1 4.35Å; F1776-Y1867 AromaticContact CD1-CE1 3.59Å; F1776-Y1867 HydrophobicContact CD1-CE1 3.59Å; F1776-Y1867 HydrophobicContact CE1-CD1 4.28Å; F1776-Y1867 AromaticContact CE1-CE1 3.74Å; F1776-Y1867 HydrophobicContact CE1-CE1 3.74Å; L1863-Y1867 WeakPolarHBondContact O-CB 3.32Å; L1863-Y1867 PolarHBondContact O-N 3.26Å; E1864-Y1867 PolarHBondContact O-N 2.94Å; I1865-Y1867 VanDerWaalsContact C-N 3.31Å; I1865-Y1867 PolarHBondContact O-N 3.47Å; Y1867-F1869 PolarHBondContact O-N 3.18Å; Y1867-K1870 PolarHBondContact O-N 3.33Å; Y1867-A1871 VanDerWaalsContact O-CB 3.32Å; Y1867-A1871 WeakPolarHBondContact O-CB 3.48Å; Y1867-A1871 PolarHBondContact O-N 3.44Å |
| 1868 | V | 78 | Confident | 71 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.1 | 165 | 0 | 0 | 0 | 0 | 111.9 | C1838 I1841 L1842 E1864 I1865 A1871 L1872 | C1838-V1868 HydrophobicContact CB-CG1 3.96Å; I1841-V1868 HydrophobicContact CB-CG2 4Å; I1841-V1868 HydrophobicContact CD1-CG2 3.33Å; I1841-V1868 HydrophobicContact CG1-CG2 4.27Å; I1841-V1868 HydrophobicContact CG2-CG2 3.86Å; L1842-V1868 HydrophobicContact CG-CG1 4.27Å; E1864-V1868 WeakPolarHBondContact O-CG2 3.47Å; E1864-V1868 PolarHBondContact O-N 3.46Å; I1865-V1868 PolarHBondContact O-N 3.41Å; V1868-A1871 PolarHBondContact O-N 3.34Å; V1868-L1872 HydrophobicContact CG1-CD1 3.78Å; V1868-L1872 HydrophobicContact CG1-CG 4.29Å; V1868-L1872 WeakPolarHBondContact O-CB 3.4Å; V1868-L1872 WeakPolarHBondContact O-CG 3.32Å; V1868-L1872 PolarHBondContact O-N 3.32Å |
| 1869 | F | 80.2 | Confident | 71.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 176 | -66 | -37.5 | 0 | 0 | 0 | 112.3 | L1842 I1865 S1866 Y1867 T1873 C1906 I1916 A1919 L1920 L1923 | L1842-F1869 HydrophobicContact CD2-CD1 4.3Å; L1842-F1869 HydrophobicContact CD2-CE1 3.44Å; L1842-F1869 VanDerWaalsContact CD2-CE1 3.44Å; L1842-F1869 HydrophobicContact CD2-CZ 3.99Å; I1865-F1869 HydrophobicContact CD1-CZ 4.44Å; I1865-F1869 HydrophobicContact CG1-CD2 4.37Å; I1865-F1869 HydrophobicContact CG1-CE2 3.74Å; I1865-F1869 HydrophobicContact CG1-CZ 3.84Å; I1865-F1869 HydrophobicContact CG2-CE2 4.46Å; I1865-F1869 VanDerWaalsContact O-CD2 3.32Å; I1865-F1869 WeakPolarHBondContact O-CD2 3.23Å; I1865-F1869 WeakPolarHBondContact O-CG 3.44Å; I1865-F1869 PolarHBondContact O-N 3.41Å; S1866-F1869 PolarHBondContact O-N 2.82Å; Y1867-F1869 PolarHBondContact O-N 3.18Å; F1869-T1873 VanDerWaalsContact O-CB 3.28Å; F1869-T1873 WeakPolarHBondContact O-CB 3.17Å; F1869-T1873 PolarHBondContact O-N 3.05Å; F1869-T1873 PolarHBondContact O-OG1 3.4Å; F1869-C1906 HydrophobicContact CZ-CB 4.06Å; F1869-I1916 HydrophobicContact CD2-CG2 4.23Å; F1869-I1916 HydrophobicContact CE2-CG2 3.78Å; F1869-A1919 HydrophobicContact CB-CB 4.2Å; F1869-L1920 HydrophobicContact CE1-CD1 3.84Å; F1869-L1920 HydrophobicContact CE2-CB 4.4Å; F1869-L1920 HydrophobicContact CE2-CD1 4.21Å; F1869-L1920 HydrophobicContact CZ-CD1 3.68Å; F1869-L1923 HydrophobicContact CB-CD2 4.38Å; F1869-L1923 HydrophobicContact CD1-CD2 3.45Å; F1869-L1923 VanDerWaalsContact CD1-CD2 3.45Å; F1869-L1923 HydrophobicContact CE1-CD2 4.1Å; F1869-L1923 HydrophobicContact CG-CD2 4.26Å |
| 1870 | K | 73.7 | Confident | 71.4 | Confident | 118 Ų | 118 | 36.8 Ų | 36.8 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 172 | -74.3 | 179.7 | 178 | -175.5 | 0 | 112 | S1866 Y1867 T1873 V1874 | S1866-K1870 WeakPolarHBondContact O-CG 3.4Å; S1866-K1870 PolarHBondContact O-N 3.02Å; Y1867-K1870 PolarHBondContact O-N 3.33Å; K1870-T1873 WeakPolarHBondContact O-CB 3.31Å; K1870-T1873 PolarHBondContact O-N 3.33Å; K1870-V1874 WeakPolarHBondContact O-CG2 3.47Å; K1870-V1874 PolarHBondContact O-N 2.69Å |
| 1871 | A | 70.7 | Confident | 71.6 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1776 L1780 Y1867 V1868 V1874 M1875 | F1776-A1871 HydrophobicContact CE1-CB 3.79Å; F1776-A1871 HydrophobicContact CZ-CB 4.01Å; L1780-A1871 HydrophobicContact CD1-CB 4.03Å; Y1867-A1871 VanDerWaalsContact O-CB 3.32Å; Y1867-A1871 WeakPolarHBondContact O-CB 3.48Å; Y1867-A1871 PolarHBondContact O-N 3.44Å; V1868-A1871 PolarHBondContact O-N 3.34Å; A1871-V1874 PolarHBondContact O-N 3.26Å; A1871-M1875 VanDerWaalsContact O-CB 3.23Å; A1871-M1875 WeakPolarHBondContact O-CB 3.47Å; A1871-M1875 PolarHBondContact O-N 2.91Å |
| 1872 | L | 79.3 | Confident | 71.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -39.4 | 172.8 | -73.2 | 171.4 | 0 | 0 | 0 | 111.8 | C1838 L1842 V1868 M1875 L1876 L1899 I1903 L1923 | C1838-L1872 HydrophobicContact CB-CD1 4.34Å; C1838-L1872 HydrophobicContact CB-CD2 4.06Å; C1838-L1872 HydrophobicContact CB-CG 4.28Å; L1842-L1872 HydrophobicContact CD1-CD1 4.19Å; V1868-L1872 HydrophobicContact CG1-CD1 3.78Å; V1868-L1872 HydrophobicContact CG1-CG 4.29Å; V1868-L1872 WeakPolarHBondContact O-CB 3.4Å; V1868-L1872 WeakPolarHBondContact O-CG 3.32Å; V1868-L1872 PolarHBondContact O-N 3.32Å; L1872-M1875 PolarHBondContact O-N 2.94Å; L1872-L1876 WeakPolarHBondContact O-CB 3.49Å; L1872-L1876 WeakPolarHBondContact O-CD1 3.4Å; L1872-L1876 WeakPolarHBondContact O-CG 3.42Å; L1872-L1876 PolarHBondContact O-N 2.78Å; L1872-L1899 HydrophobicContact CD2-CD1 3.92Å; L1872-I1903 HydrophobicContact CD1-CD1 4.27Å; L1872-L1923 HydrophobicContact CB-CD1 3.83Å; L1872-L1923 HydrophobicContact CB-CD2 4.25Å; L1872-L1923 HydrophobicContact CD1-CD2 4.2Å |
| 1873 | T | 78.5 | Confident | 70.7 | Confident | 23 Ų | 23 | 41.4 Ų | 41.4 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 173 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | F1869 K1870 M1875 L1876 T1877 L1926 | F1869-T1873 VanDerWaalsContact O-CB 3.28Å; F1869-T1873 WeakPolarHBondContact O-CB 3.17Å; F1869-T1873 PolarHBondContact O-N 3.05Å; F1869-T1873 PolarHBondContact O-OG1 3.4Å; K1870-T1873 WeakPolarHBondContact O-CB 3.31Å; K1870-T1873 PolarHBondContact O-N 3.33Å; T1873-M1875 PolarHBondContact O-N 2.8Å; T1873-L1876 PolarHBondContact O-N 2.99Å; T1873-T1877 WeakPolarHBondContact O-CB 3.24Å; T1873-T1877 PolarHBondContact O-N 3.42Å; T1873-T1877 PolarHBondContact O-OG1 3.07Å; T1873-L1926 HydrophobicContact CG2-CD1 3.72Å |
| 1874 | V | 73.3 | Confident | 70 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 176 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | K1870 A1871 L1876 T1877 S1878 | K1870-V1874 WeakPolarHBondContact O-CG2 3.47Å; K1870-V1874 PolarHBondContact O-N 2.69Å; A1871-V1874 PolarHBondContact O-N 3.26Å; V1874-L1876 PolarHBondContact O-N 2.74Å; V1874-T1877 PolarHBondContact O-N 2.94Å; V1874-S1878 WeakPolarHBondContact O-CB 3.28Å; V1874-S1878 PolarHBondContact O-N 2.76Å; V1874-S1878 PolarHBondContact O-OG 3.43Å |
| 1875 | M | 73.9 | Confident | 69.1 | Low | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 179.1 | 169.6 | 168.7 | -80.3 | 0 | 0 | 113 | F1784 V1831 I1834 L1835 A1871 L1872 T1873 S1878 L1879 | F1784-M1875 HydrophobicContact CE2-CB 4.25Å; F1784-M1875 HydrophobicContact CE2-CE 4.02Å; F1784-M1875 HydrophobicContact CZ-CB 3.85Å; F1784-M1875 HydrophobicContact CZ-CE 3.59Å; F1784-M1875 HydrophobicContact CZ-CG 3.83Å; V1831-M1875 HydrophobicContact CG1-CE 4.15Å; I1834-M1875 HydrophobicContact CB-CE 4.06Å; I1834-M1875 HydrophobicContact CD1-CE 4.41Å; I1834-M1875 HydrophobicContact CG2-CE 3.64Å; I1834-M1875 HydrophobicContact CG2-SD 4.43Å; L1835-M1875 HydrophobicContact CD1-SD 4.37Å; L1835-M1875 HydrophobicContact CD2-SD 3.49Å; L1835-M1875 WeakPolarHBondContact CD2-SD 3.39Å; L1835-M1875 HydrophobicContact CG-CE 4.23Å; L1835-M1875 HydrophobicContact CG-SD 3.77Å; A1871-M1875 VanDerWaalsContact O-CB 3.23Å; A1871-M1875 WeakPolarHBondContact O-CB 3.47Å; A1871-M1875 PolarHBondContact O-N 2.91Å; L1872-M1875 PolarHBondContact O-N 2.94Å; T1873-M1875 PolarHBondContact O-N 2.8Å; M1875-S1878 WeakPolarHBondContact CA-OG 3.34Å; M1875-S1878 PolarHBondContact O-OG 2.76Å; M1875-L1879 HydrophobicContact CG-CD1 3.95Å; M1875-L1879 VanDerWaalsContact O-CB 3.28Å; M1875-L1879 WeakPolarHBondContact O-CB 3.38Å; M1875-L1879 WeakPolarHBondContact O-CD1 3.36Å; M1875-L1879 WeakPolarHBondContact O-CG 3.41Å; M1875-L1879 PolarHBondContact O-N 3.08Å |
| 1876 | L | 70.9 | Confident | 68 | Low | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.7 | -46.1 | 176.3 | -82.1 | 156.8 | 0 | 0 | 0 | 111.7 | L1872 T1873 V1874 S1878 L1879 Q1880 I1896 L1923 Y1927 F1930 | L1872-L1876 WeakPolarHBondContact O-CB 3.49Å; L1872-L1876 WeakPolarHBondContact O-CD1 3.4Å; L1872-L1876 WeakPolarHBondContact O-CG 3.42Å; L1872-L1876 PolarHBondContact O-N 2.78Å; T1873-L1876 PolarHBondContact O-N 2.99Å; V1874-L1876 PolarHBondContact O-N 2.74Å; L1876-S1878 VanDerWaalsContact C-N 3.33Å; L1876-S1878 PolarHBondContact O-N 3.21Å; L1876-L1879 PolarHBondContact O-N 3.33Å; L1876-Q1880 WeakPolarHBondContact O-CB 3.3Å; L1876-Q1880 WeakPolarHBondContact O-CG 3.15Å; L1876-Q1880 PolarHBondContact O-N 2.88Å; L1876-I1896 HydrophobicContact CD2-CG2 4.04Å; L1876-L1923 HydrophobicContact CD1-CD1 3.51Å; L1876-Y1927 HydrophobicContact CD1-CD2 3.86Å; L1876-Y1927 HydrophobicContact CD1-CE2 3.47Å; L1876-Y1927 VanDerWaalsContact CD1-CE2 3.47Å; L1876-F1930 HydrophobicContact CD2-CD2 4.48Å |
| 1877 | T | 73.3 | Confident | 67 | Low | 66 Ų | 66 | 65.9 Ų | 65.9 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.8 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | T1873 V1874 Q1880 S1881 | T1873-T1877 WeakPolarHBondContact O-CB 3.24Å; T1873-T1877 PolarHBondContact O-N 3.42Å; T1873-T1877 PolarHBondContact O-OG1 3.07Å; V1874-T1877 PolarHBondContact O-N 2.94Å; T1877-Q1880 PolarHBondContact O-N 3.47Å; T1877-S1881 PolarHBondContact O-N 3.15Å |
| 1878 | S | 65.4 | Low | 66.5 | Low | 24 Ų | 24 | 62.8 Ų | 62.8 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | F1784 V1874 M1875 L1876 Q1880 S1881 V1882 | F1784-S1878 VanDerWaalsContact CE1-OG 3.29Å; F1784-S1878 WeakPolarHBondContact CE1-OG 3.32Å; V1874-S1878 WeakPolarHBondContact O-CB 3.28Å; V1874-S1878 PolarHBondContact O-N 2.76Å; V1874-S1878 PolarHBondContact O-OG 3.43Å; M1875-S1878 WeakPolarHBondContact CA-OG 3.34Å; M1875-S1878 PolarHBondContact O-OG 2.76Å; L1876-S1878 VanDerWaalsContact C-N 3.33Å; L1876-S1878 PolarHBondContact O-N 3.21Å; S1878-Q1880 VanDerWaalsContact C-N 3.33Å; S1878-Q1880 PolarHBondContact O-N 3.07Å; S1878-S1881 WeakPolarHBondContact CA-OG 3.49Å; S1878-S1881 CarbonylContact O-C 3.54Å; S1878-S1881 WeakPolarHBondContact O-CA 3.38Å; S1878-S1881 PolarHBondContact O-N 2.68Å; S1878-S1881 PolarHBondContact O-OG 3.43Å; S1878-V1882 WeakPolarHBondContact O-CG2 3.27Å; S1878-V1882 PolarHBondContact O-N 3.25Å |
| 1879 | L | 68.8 | Low | 65.8 | Low | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.094 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 177 | -75 | 167.8 | 0 | 0 | 0 | 113.2 | M1875 L1876 S1881 V1882 V1888 W1893 I1896 | M1875-L1879 HydrophobicContact CG-CD1 3.95Å; M1875-L1879 VanDerWaalsContact O-CB 3.28Å; M1875-L1879 WeakPolarHBondContact O-CB 3.38Å; M1875-L1879 WeakPolarHBondContact O-CD1 3.36Å; M1875-L1879 WeakPolarHBondContact O-CG 3.41Å; M1875-L1879 PolarHBondContact O-N 3.08Å; L1876-L1879 PolarHBondContact O-N 3.33Å; L1879-S1881 VanDerWaalsContact C-N 3.32Å; L1879-V1882 PolarHBondContact O-N 3.47Å; L1879-V1888 HydrophobicContact CD2-CG1 4.09Å; L1879-V1888 HydrophobicContact CD2-CG2 3.96Å; L1879-W1893 HydrophobicContact CB-CH2 4.17Å; L1879-W1893 HydrophobicContact CB-CZ3 4.49Å; L1879-W1893 HydrophobicContact CD1-CZ3 4.39Å; L1879-W1893 HydrophobicContact CD2-CH2 4.41Å; L1879-I1896 HydrophobicContact CD1-CD1 3.32Å |
| 1880 | Q | 65 | Low | 64.9 | Low | 81 Ų | 81 | 71.9 Ų | 71.9 | 38% | 0.379 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 170 | -77.1 | 177.6 | -27 | 0 | 0 | 112.6 | L1876 T1877 S1878 F1930 | L1876-Q1880 WeakPolarHBondContact O-CB 3.3Å; L1876-Q1880 WeakPolarHBondContact O-CG 3.15Å; L1876-Q1880 PolarHBondContact O-N 2.88Å; T1877-Q1880 PolarHBondContact O-N 3.47Å; S1878-Q1880 VanDerWaalsContact C-N 3.33Å; S1878-Q1880 PolarHBondContact O-N 3.07Å; Q1880-F1930 HydrophobicContact CG-CD2 3.96Å; Q1880-F1930 HydrophobicContact CG-CE2 4.23Å |
| 1881 | S | 63.5 | Low | 64.6 | Low | 91 Ų | 91 | 69.4 Ų | 69.4 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -81.1 | -14.8 | 176.9 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | T1877 S1878 L1879 P1883 | T1877-S1881 PolarHBondContact O-N 3.15Å; S1878-S1881 WeakPolarHBondContact CA-OG 3.49Å; S1878-S1881 CarbonylContact O-C 3.54Å; S1878-S1881 WeakPolarHBondContact O-CA 3.38Å; S1878-S1881 PolarHBondContact O-N 2.68Å; S1878-S1881 PolarHBondContact O-OG 3.43Å; L1879-S1881 VanDerWaalsContact C-N 3.32Å; S1881-P1883 WeakPolarHBondContact O-CD 3.31Å |
| 1882 | V | 60.6 | Low | 64.4 | Low | 51 Ų | 51 | 69.9 Ų | 69.9 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -67.8 | 120.1 | 175 | 171.4 | 0 | 0 | 0 | 0 | 108.6 | S1878 L1879 H1886 | S1878-V1882 WeakPolarHBondContact O-CG2 3.27Å; S1878-V1882 PolarHBondContact O-N 3.25Å; L1879-V1882 PolarHBondContact O-N 3.47Å; V1882-H1886 HydrophobicContact CG1-CB 3.32Å |
| 1883 | P | 53.8 | Low | 63.9 | Low | 91 Ų | 91 | 73.2 Ų | 73.2 | 59% | 0.591 | 40% | 0.398 | S | S | * | . | trans | -63 | 142 | 175.5 | 26.4 | -33.5 | 0 | 0 | 0 | 110 | S1881 Q1885 H1886 | S1881-P1883 WeakPolarHBondContact O-CD 3.31Å; P1883-Q1885 PolarHBondContact O-N 3.02Å; P1883-H1886 PolarHBondContact O-N 3.04Å | ||
| 1884 | I | 51.8 | Low | 63.6 | Low | 177 Ų | 177 | 75 Ų | 75 | 91% | 0.908 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -12.2 | -170.4 | -58.4 | 166.8 | 0 | 0 | 0 | 114.3 | ||
| 1885 | Q | 51.6 | Low | 63.7 | Low | 194 Ų | 194 | 73.5 Ų | 73.5 | 91% | 0.907 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.2 | 174.4 | -68.7 | -178.8 | -21.8 | 0 | 0 | 114.8 | P1883 D1887 | P1883-Q1885 PolarHBondContact O-N 3.02Å; Q1885-D1887 PolarHBondContact O-N 3.37Å |
| 1886 | H | 51.3 | Low | 63.7 | Low | 122 Ų | 122 | 73.7 Ų | 73.7 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -84.9 | 110.1 | 172.8 | -125.2 | -70.2 | 0 | 0 | 0 | 109.7 | V1882 P1883 V1888 | V1882-H1886 HydrophobicContact CG1-CB 3.32Å; P1883-H1886 PolarHBondContact O-N 3.04Å; H1886-V1888 PolarHBondContact O-N 2.79Å |
| 1887 | D | 52.2 | Low | 63.8 | Low | 150 Ų | 150 | 79.2 Ų | 79.2 | 80% | 0.802 | 43% | 0.434 | S | S | * | . | trans | -70.3 | 86.4 | -177.9 | -155.3 | 22.2 | 0 | 0 | 0 | 110.3 | Q1885 D1889 | Q1885-D1887 PolarHBondContact O-N 3.37Å; D1887-D1889 PolarHBondContact O-N 3.21Å | ||
| 1888 | V | 61.5 | Low | 64.1 | Low | 24 Ų | 24 | 80.3 Ų | 80.3 | 15% | 0.145 | 44% | 0.435 | C | S | . | . | trans | -75.8 | 116.1 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 108.1 | L1879 H1886 D1890 I1892 W1893 | L1879-V1888 HydrophobicContact CD2-CG1 4.09Å; L1879-V1888 HydrophobicContact CD2-CG2 3.96Å; H1886-V1888 PolarHBondContact O-N 2.79Å; V1888-D1890 PolarHBondContact O-N 3.49Å; V1888-I1892 HydrophobicContact CG1-CB 3.99Å; V1888-I1892 HydrophobicContact CG1-CD1 4.28Å; V1888-I1892 HydrophobicContact CG1-CG2 3.83Å; V1888-W1893 HydrophobicContact CB-CZ2 3.91Å; V1888-W1893 HydrophobicContact CG1-CD2 4.2Å; V1888-W1893 HydrophobicContact CG1-CG 4.48Å; V1888-W1893 HydrophobicContact CG1-CZ2 3.9Å; V1888-W1893 HydrophobicContact CG2-CZ2 4.24Å; V1888-W1893 VanDerWaalsContact O-CD1 3.29Å; V1888-W1893 PolarHBondContact O-NE1 3.08Å | ||
| 1889 | D | 63.6 | Low | 64.8 | Low | 61 Ų | 61 | 79.2 Ų | 79.2 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | trans | -48.4 | 132.5 | -174.6 | -63.8 | -56.9 | 0 | 0 | 0 | 112.1 | K1828 D1887 S1891 I1892 W1893 | K1828-D1889 IonicContact NZ-OD1 2.64Å; K1828-D1889 PolarHBondContact NZ-OD1 2.88Å; K1828-D1889 IonicContact NZ-OD2 3.06Å; K1828-D1889 PolarHBondContact NZ-OD2 3.3Å; D1887-D1889 PolarHBondContact O-N 3.21Å; D1889-S1891 PolarHBondContact O-N 2.93Å; D1889-I1892 HydrophobicContact CB-CD1 4.07Å; D1889-I1892 HydrophobicContact CB-CG1 4.2Å; D1889-I1892 WeakPolarHBondContact O-CA 3.4Å; D1889-I1892 VanDerWaalsContact O-CB 3.31Å; D1889-I1892 WeakPolarHBondContact O-CB 3.39Å; D1889-I1892 PolarHBondContact O-N 3.18Å; D1889-W1893 PolarHBondContact O-N 2.86Å | ||
| 1890 | D | 60.1 | Low | 65.2 | Low | 133 Ų | 133 | 82.6 Ų | 82.6 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -51.8 | -26 | 176.8 | -81.3 | -22 | 0 | 0 | 0 | 113.9 | V1888 W1893 S1894 | V1888-D1890 PolarHBondContact O-N 3.49Å; D1890-W1893 PolarHBondContact O-N 3.01Å; D1890-S1894 VanDerWaalsContact O-CB 3.29Å; D1890-S1894 WeakPolarHBondContact O-CB 3.25Å; D1890-S1894 PolarHBondContact O-N 2.84Å; D1890-S1894 PolarHBondContact O-OG 3.37Å |
| 1891 | S | 67.4 | Low | 65.9 | Low | 65 Ų | 65 | 82.1 Ų | 82.1 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.7 | -31.5 | 174.8 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | D1889 S1895 | D1889-S1891 PolarHBondContact O-N 2.93Å; S1891-S1895 WeakPolarHBondContact O-CB 3.47Å; S1891-S1895 PolarHBondContact O-N 3.16Å; S1891-S1895 PolarHBondContact O-OG 2.93Å |
| 1892 | I | 65.9 | Low | 66.7 | Low | 16 Ų | 16 | 79.8 Ų | 79.8 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70.5 | -48.1 | 174 | -63.7 | 170.3 | 0 | 0 | 0 | 108.2 | V1831 L1835 V1888 D1889 S1894 S1895 I1896 | V1831-I1892 HydrophobicContact CG1-CD1 3.93Å; V1831-I1892 HydrophobicContact CG1-CG1 4.16Å; V1831-I1892 HydrophobicContact CG1-CG2 4.04Å; L1835-I1892 HydrophobicContact CD1-CB 4.45Å; L1835-I1892 HydrophobicContact CD1-CG2 3.84Å; V1888-I1892 HydrophobicContact CG1-CB 3.99Å; V1888-I1892 HydrophobicContact CG1-CD1 4.28Å; V1888-I1892 HydrophobicContact CG1-CG2 3.83Å; D1889-I1892 HydrophobicContact CB-CD1 4.07Å; D1889-I1892 HydrophobicContact CB-CG1 4.2Å; D1889-I1892 WeakPolarHBondContact O-CA 3.4Å; D1889-I1892 VanDerWaalsContact O-CB 3.31Å; D1889-I1892 WeakPolarHBondContact O-CB 3.39Å; D1889-I1892 PolarHBondContact O-N 3.18Å; I1892-S1894 PolarHBondContact O-N 3.17Å; I1892-S1895 PolarHBondContact O-N 3.25Å; I1892-I1896 HydrophobicContact CG2-CD1 3.99Å; I1892-I1896 WeakPolarHBondContact O-CG1 3.38Å; I1892-I1896 PolarHBondContact O-N 2.83Å |
| 1893 | W | 70.2 | Confident | 67.5 | Low | 71 Ų | 71 | 77.3 Ų | 77.3 | 27% | 0.269 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 174.7 | -68.7 | 126.1 | 0 | 0 | 0 | 112.8 | L1879 V1888 D1889 D1890 S1895 I1896 I1897 F1930 | L1879-W1893 HydrophobicContact CB-CH2 4.17Å; L1879-W1893 HydrophobicContact CB-CZ3 4.49Å; L1879-W1893 HydrophobicContact CD1-CZ3 4.39Å; L1879-W1893 HydrophobicContact CD2-CH2 4.41Å; V1888-W1893 HydrophobicContact CB-CZ2 3.91Å; V1888-W1893 HydrophobicContact CG1-CD2 4.2Å; V1888-W1893 HydrophobicContact CG1-CG 4.48Å; V1888-W1893 HydrophobicContact CG1-CZ2 3.9Å; V1888-W1893 HydrophobicContact CG2-CZ2 4.24Å; V1888-W1893 VanDerWaalsContact O-CD1 3.29Å; V1888-W1893 PolarHBondContact O-NE1 3.08Å; D1889-W1893 PolarHBondContact O-N 2.86Å; D1890-W1893 PolarHBondContact O-N 3.01Å; W1893-S1895 VanDerWaalsContact C-N 3.31Å; W1893-S1895 PolarHBondContact O-N 3.36Å; W1893-I1896 HydrophobicContact CE3-CD1 4.13Å; W1893-I1896 HydrophobicContact CZ3-CD1 4.29Å; W1893-I1896 PolarHBondContact O-N 3.11Å; W1893-I1897 WeakPolarHBondContact O-CG1 3.49Å; W1893-I1897 PolarHBondContact O-N 3.38Å; W1893-F1930 HydrophobicContact CE3-CZ 4.02Å; W1893-F1930 HydrophobicContact CH2-CE2 4.28Å; W1893-F1930 AromaticContact CH2-CZ 3.85Å; W1893-F1930 HydrophobicContact CH2-CZ 3.85Å; W1893-F1930 HydrophobicContact CZ3-CE1 4.22Å; W1893-F1930 AromaticContact CZ3-CE2 3.96Å; W1893-F1930 HydrophobicContact CZ3-CE2 3.96Å; W1893-F1930 AromaticContact CZ3-CZ 3.31Å; W1893-F1930 HydrophobicContact CZ3-CZ 3.31Å |
| 1894 | S | 71.5 | Confident | 68.6 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | D1890 I1892 I1896 I1897 E1898 | D1890-S1894 VanDerWaalsContact O-CB 3.29Å; D1890-S1894 WeakPolarHBondContact O-CB 3.25Å; D1890-S1894 PolarHBondContact O-N 2.84Å; D1890-S1894 PolarHBondContact O-OG 3.37Å; I1892-S1894 PolarHBondContact O-N 3.17Å; S1894-I1896 VanDerWaalsContact C-N 3.35Å; S1894-I1896 PolarHBondContact O-N 3.49Å; S1894-I1897 PolarHBondContact O-N 3.07Å; S1894-E1898 WeakPolarHBondContact O-CB 3.35Å; S1894-E1898 WeakPolarHBondContact O-CG 3.49Å; S1894-E1898 PolarHBondContact O-N 3.37Å |
| 1895 | S | 74.9 | Confident | 69.7 | Low | 45 Ų | 45 | 69.3 Ų | 69.3 | 32% | 0.315 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | S1891 I1892 W1893 L1899 | S1891-S1895 WeakPolarHBondContact O-CB 3.47Å; S1891-S1895 PolarHBondContact O-N 3.16Å; S1891-S1895 PolarHBondContact O-OG 2.93Å; I1892-S1895 PolarHBondContact O-N 3.25Å; W1893-S1895 VanDerWaalsContact C-N 3.31Å; W1893-S1895 PolarHBondContact O-N 3.36Å; S1895-L1899 WeakPolarHBondContact O-CD1 3.43Å; S1895-L1899 WeakPolarHBondContact O-CG 3.36Å; S1895-L1899 PolarHBondContact O-N 3.27Å |
| 1896 | I | 74.6 | Confident | 70.7 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 174.3 | -68.9 | 164.6 | 0 | 0 | 0 | 110.4 | L1835 L1876 L1879 I1892 W1893 S1894 E1898 L1899 Y1927 | L1835-I1896 HydrophobicContact CD1-CG1 4.38Å; L1835-I1896 HydrophobicContact CD2-CG1 3.71Å; L1876-I1896 HydrophobicContact CD2-CG2 4.04Å; L1879-I1896 HydrophobicContact CD1-CD1 3.32Å; I1892-I1896 HydrophobicContact CG2-CD1 3.99Å; I1892-I1896 WeakPolarHBondContact O-CG1 3.38Å; I1892-I1896 PolarHBondContact O-N 2.83Å; W1893-I1896 HydrophobicContact CE3-CD1 4.13Å; W1893-I1896 HydrophobicContact CZ3-CD1 4.29Å; W1893-I1896 PolarHBondContact O-N 3.11Å; S1894-I1896 VanDerWaalsContact C-N 3.35Å; S1894-I1896 PolarHBondContact O-N 3.49Å; I1896-E1898 PolarHBondContact O-N 3.31Å; I1896-L1899 WeakPolarHBondContact O-CB 3.43Å; I1896-L1899 PolarHBondContact O-N 2.98Å; I1896-Y1927 HydrophobicContact CG2-CE1 4.11Å; I1896-Y1927 PolarHBondContact O-OH 3.14Å |
| 1897 | I | 74 | Confident | 71.6 | Confident | 119 Ų | 119 | 58 Ų | 58 | 61% | 0.61 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 176.6 | -65.9 | 163.8 | 0 | 0 | 0 | 110.9 | W1893 S1894 L1899 Y1900 | W1893-I1897 WeakPolarHBondContact O-CG1 3.49Å; W1893-I1897 PolarHBondContact O-N 3.38Å; S1894-I1897 PolarHBondContact O-N 3.07Å; I1897-L1899 PolarHBondContact O-N 3.45Å; I1897-Y1900 WeakPolarHBondContact O-CB 3.19Å; I1897-Y1900 PolarHBondContact O-N 3.45Å |
| 1898 | E | 78.6 | Confident | 72.3 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -17.4 | 176.5 | -77.5 | -173.3 | -146.8 | 0 | 0 | 114.5 | R1839 S1894 I1896 | R1839-E1898 IonicContact CZ-OE2 3.07Å; R1839-E1898 IonicContact NH1-OE2 2.74Å; R1839-E1898 PolarHBondContact NH1-OE2 3.33Å; R1839-E1898 IonicContact NH2-OE2 3.67Å; R1839-E1898 PolarHBondContact NH2-OE2 3.42Å; S1894-E1898 WeakPolarHBondContact O-CB 3.35Å; S1894-E1898 WeakPolarHBondContact O-CG 3.49Å; S1894-E1898 PolarHBondContact O-N 3.37Å; I1896-E1898 PolarHBondContact O-N 3.31Å |
| 1899 | L | 79.8 | Confident | 72.6 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -77.3 | -27.8 | 175.1 | -80.3 | 159.4 | 0 | 0 | 0 | 112.7 | L1835 C1838 R1839 L1842 L1872 S1895 I1896 I1897 H1902 I1903 | L1835-L1899 HydrophobicContact CD2-CD1 3.56Å; C1838-L1899 HydrophobicContact CB-CD2 4.37Å; R1839-L1899 HydrophobicContact CB-CD2 3.77Å; R1839-L1899 HydrophobicContact CG-CD2 4.38Å; L1842-L1899 HydrophobicContact CD1-CD2 3.49Å; L1842-L1899 VanDerWaalsContact CD1-CD2 3.49Å; L1872-L1899 HydrophobicContact CD2-CD1 3.92Å; S1895-L1899 WeakPolarHBondContact O-CD1 3.43Å; S1895-L1899 WeakPolarHBondContact O-CG 3.36Å; S1895-L1899 PolarHBondContact O-N 3.27Å; I1896-L1899 WeakPolarHBondContact O-CB 3.43Å; I1896-L1899 PolarHBondContact O-N 2.98Å; I1897-L1899 PolarHBondContact O-N 3.45Å; L1899-H1902 PolarHBondContact O-N 3.2Å; L1899-I1903 HydrophobicContact CB-CD1 4.2Å; L1899-I1903 WeakPolarHBondContact O-CG1 3.33Å; L1899-I1903 PolarHBondContact O-N 3.06Å; L1899-I1903 VanDerWaalsContact O-N 3.1Å |
| 1900 | Y | 78.1 | Confident | 72.5 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | -173.1 | -177.1 | -104.6 | 0 | 0 | 0 | 114.3 | I1897 H1902 I1903 V1904 L1924 Y1927 | I1897-Y1900 WeakPolarHBondContact O-CB 3.19Å; I1897-Y1900 PolarHBondContact O-N 3.45Å; Y1900-H1902 VanDerWaalsContact C-N 3.32Å; Y1900-H1902 PolarHBondContact O-N 2.99Å; Y1900-I1903 PolarHBondContact O-N 3.43Å; Y1900-V1904 HydrophobicContact CD1-CG2 4.36Å; Y1900-V1904 HydrophobicContact CE1-CG2 3.96Å; Y1900-V1904 HydrophobicContact CE2-CG2 4.23Å; Y1900-V1904 WeakPolarHBondContact O-CG2 3.41Å; Y1900-V1904 PolarHBondContact O-N 2.9Å; Y1900-L1924 HydrophobicContact CE2-CD2 4.16Å; Y1900-Y1927 AromaticContact CD2-CD1 3.51Å; Y1900-Y1927 HydrophobicContact CD2-CD1 3.51Å; Y1900-Y1927 HydrophobicContact CD2-CD2 4.26Å; Y1900-Y1927 AromaticContact CD2-CE1 4Å; Y1900-Y1927 HydrophobicContact CD2-CE1 4Å; Y1900-Y1927 AromaticContact CD2-CG 3.65Å; Y1900-Y1927 HydrophobicContact CD2-CG 3.65Å; Y1900-Y1927 HydrophobicContact CE2-CD1 4.25Å; Y1900-Y1927 HydrophobicContact CE2-CG 4.1Å; Y1900-Y1927 HydrophobicContact CG-CD1 4.22Å; Y1900-Y1927 HydrophobicContact CG-CE1 4.4Å |
| 1901 | P | 79.8 | Confident | 72.3 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 178.1 | -22.7 | 34.4 | 0 | 0 | 0 | 112.9 | I1903 V1904 D1905 | P1901-I1903 VanDerWaalsContact C-N 3.33Å; P1901-I1903 PolarHBondContact O-N 3.09Å; P1901-V1904 PolarHBondContact O-N 3.04Å; P1901-D1905 PolarHBondContact O-N 3.2Å |
| 1902 | H | 80.4 | Confident | 72.1 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.5 | -27.7 | 179.8 | -59.3 | -42.5 | 0 | 0 | 0 | 112.9 | L1842 L1899 Y1900 D1905 C1906 | L1842-H1902 HydrophobicContact CB-CB 4.09Å; L1842-H1902 HydrophobicContact CD1-CB 4.49Å; L1899-H1902 PolarHBondContact O-N 3.2Å; Y1900-H1902 VanDerWaalsContact C-N 3.32Å; Y1900-H1902 PolarHBondContact O-N 2.99Å; H1902-D1905 IonicContact ND1-OD2 2.76Å; H1902-C1906 PolarHBondContact O-SG 3.48Å |
| 1903 | I | 76.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 170.5 | -64.7 | 162.8 | 0 | 0 | 0 | 109.6 | L1842 L1872 L1899 Y1900 P1901 C1906 L1920 L1923 L1924 Y1927 | L1842-I1903 HydrophobicContact CD1-CG1 4Å; L1842-I1903 HydrophobicContact CD2-CG1 4.32Å; L1872-I1903 HydrophobicContact CD1-CD1 4.27Å; L1899-I1903 HydrophobicContact CB-CD1 4.2Å; L1899-I1903 WeakPolarHBondContact O-CG1 3.33Å; L1899-I1903 PolarHBondContact O-N 3.06Å; L1899-I1903 VanDerWaalsContact O-N 3.1Å; Y1900-I1903 PolarHBondContact O-N 3.43Å; P1901-I1903 VanDerWaalsContact C-N 3.33Å; P1901-I1903 PolarHBondContact O-N 3.09Å; I1903-C1906 WeakPolarHBondContact O-CB 3.33Å; I1903-C1906 PolarHBondContact O-N 2.84Å; I1903-L1920 HydrophobicContact CG2-CD1 3.56Å; I1903-L1923 HydrophobicContact CD1-CD2 3.87Å; I1903-L1923 HydrophobicContact CD1-CG 4.41Å; I1903-L1923 HydrophobicContact CG1-CD2 4.16Å; I1903-L1923 HydrophobicContact CG2-CD2 3.91Å; I1903-L1923 HydrophobicContact CG2-CG 4.41Å; I1903-L1924 HydrophobicContact CG2-CD2 3.98Å; I1903-L1924 HydrophobicContact CG2-CG 4.31Å; I1903-Y1927 HydrophobicContact CD1-CD2 4.35Å; I1903-Y1927 HydrophobicContact CD1-CE2 3.47Å; I1903-Y1927 VanDerWaalsContact CD1-CE2 3.47Å |
| 1904 | V | 75.8 | Confident | 72.3 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 112 | Y1900 P1901 C1906 I1907 L1924 | Y1900-V1904 HydrophobicContact CD1-CG2 4.36Å; Y1900-V1904 HydrophobicContact CE1-CG2 3.96Å; Y1900-V1904 HydrophobicContact CE2-CG2 4.23Å; Y1900-V1904 WeakPolarHBondContact O-CG2 3.41Å; Y1900-V1904 PolarHBondContact O-N 2.9Å; P1901-V1904 PolarHBondContact O-N 3.04Å; V1904-C1906 PolarHBondContact O-N 3.19Å; V1904-C1906 VanDerWaalsContact O-N 3.14Å; V1904-I1907 HydrophobicContact CB-CD1 4.39Å; V1904-I1907 HydrophobicContact CG1-CD1 4.2Å; V1904-I1907 HydrophobicContact CG2-CD1 4.48Å; V1904-I1907 VanDerWaalsContact O-CB 3.31Å; V1904-I1907 WeakPolarHBondContact O-CB 3.31Å; V1904-I1907 WeakPolarHBondContact O-CG1 3.47Å; V1904-I1907 PolarHBondContact O-N 3.38Å; V1904-L1924 HydrophobicContact CG2-CD2 4.16Å |
| 1905 | D | 75.6 | Confident | 72.1 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.7 | -33.2 | 173.9 | -77.8 | -34.4 | 0 | 0 | 0 | 112.4 | Y1846 P1901 H1902 I1907 | Y1846-D1905 HydrophobicContact CD1-CB 4.19Å; Y1846-D1905 HydrophobicContact CD2-CB 3.83Å; Y1846-D1905 WeakPolarHBondContact CD2-O 3.32Å; Y1846-D1905 HydrophobicContact CE1-CB 4.28Å; Y1846-D1905 HydrophobicContact CE2-CB 3.97Å; Y1846-D1905 HydrophobicContact CG-CB 3.95Å; P1901-D1905 PolarHBondContact O-N 3.2Å; H1902-D1905 IonicContact ND1-OD2 2.76Å; D1905-I1907 VanDerWaalsContact C-N 3.31Å; D1905-I1907 PolarHBondContact O-N 3.49Å |
| 1906 | C | 72.5 | Confident | 72 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.4 | -25.1 | 178.6 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | F1869 H1902 I1903 V1904 L1908 V1909 T1910 L1920 | F1869-C1906 HydrophobicContact CZ-CB 4.06Å; H1902-C1906 PolarHBondContact O-SG 3.48Å; I1903-C1906 WeakPolarHBondContact O-CB 3.33Å; I1903-C1906 PolarHBondContact O-N 2.84Å; V1904-C1906 PolarHBondContact O-N 3.19Å; V1904-C1906 VanDerWaalsContact O-N 3.14Å; C1906-L1908 VanDerWaalsContact C-N 3.32Å; C1906-L1908 PolarHBondContact O-N 2.9Å; C1906-V1909 PolarHBondContact O-N 3.45Å; C1906-T1910 WeakPolarHBondContact O-CG2 3.31Å; C1906-T1910 PolarHBondContact O-N 2.7Å; C1906-T1910 PolarHBondContact O-OG1 2.92Å; C1906-L1920 HydrophobicContact CB-CD1 4.47Å; C1906-L1920 HydrophobicContact CB-CD2 4.4Å |
| 1907 | I | 71.5 | Confident | 71.9 | Confident | 77 Ų | 77 | 61.2 Ų | 61.2 | 40% | 0.395 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 179.1 | -55.5 | 168.9 | 0 | 0 | 0 | 110.4 | V1904 D1905 V1909 T1910 L1920 L1924 | V1904-I1907 HydrophobicContact CB-CD1 4.39Å; V1904-I1907 HydrophobicContact CG1-CD1 4.2Å; V1904-I1907 HydrophobicContact CG2-CD1 4.48Å; V1904-I1907 VanDerWaalsContact O-CB 3.31Å; V1904-I1907 WeakPolarHBondContact O-CB 3.31Å; V1904-I1907 WeakPolarHBondContact O-CG1 3.47Å; V1904-I1907 PolarHBondContact O-N 3.38Å; D1905-I1907 VanDerWaalsContact C-N 3.31Å; D1905-I1907 PolarHBondContact O-N 3.49Å; I1907-V1909 PolarHBondContact O-N 2.79Å; I1907-T1910 PolarHBondContact O-N 3.38Å; I1907-T1910 PolarHBondContact O-OG1 3.37Å; I1907-T1910 VanDerWaalsContact O-OG1 3.07Å; I1907-L1920 HydrophobicContact CB-CD2 4.24Å; I1907-L1920 HydrophobicContact CG1-CD2 3.71Å; I1907-L1920 HydrophobicContact CG1-CG 4.3Å; I1907-L1924 HydrophobicContact CD1-CD1 3.48Å; I1907-L1924 VanDerWaalsContact CD1-CD1 3.48Å; I1907-L1924 HydrophobicContact CD1-CD2 4.28Å; I1907-L1924 HydrophobicContact CG1-CD1 3.79Å |
| 1908 | L | 65.7 | Low | 72 | Confident | 143 Ų | 143 | 61.4 Ų | 61.4 | 75% | 0.749 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.5 | -177.1 | -62.9 | 174.9 | 0 | 0 | 0 | 113.5 | C1906 | C1906-L1908 VanDerWaalsContact C-N 3.32Å; C1906-L1908 PolarHBondContact O-N 2.9Å |
| 1909 | V | 67 | Low | 71.6 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -27.5 | -172.7 | 167.4 | 0 | 0 | 0 | 0 | 112.4 | F1845 Y1846 S1849 C1906 I1907 G1911 | F1845-V1909 HydrophobicContact CE1-CG1 4.15Å; F1845-V1909 HydrophobicContact CZ-CG1 4.39Å; Y1846-V1909 HydrophobicContact CD2-CG2 3.83Å; Y1846-V1909 HydrophobicContact CE2-CG2 4.15Å; S1849-V1909 WeakPolarHBondContact OG-CG1 3.44Å; C1906-V1909 PolarHBondContact O-N 3.45Å; I1907-V1909 PolarHBondContact O-N 2.79Å; V1909-G1911 VanDerWaalsContact C-N 3.26Å; V1909-G1911 PolarHBondContact O-N 3.25Å; V1909-G1911 VanDerWaalsContact O-N 3.08Å |
| 1910 | T | 62.3 | Low | 71.5 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | trans | -78.3 | 10.2 | -163.8 | 39.3 | 0 | 0 | 0 | 0 | 117.2 | C1906 I1907 G1912 S1913 I1916 L1920 | C1906-T1910 WeakPolarHBondContact O-CG2 3.31Å; C1906-T1910 PolarHBondContact O-N 2.7Å; C1906-T1910 PolarHBondContact O-OG1 2.92Å; I1907-T1910 PolarHBondContact O-N 3.38Å; I1907-T1910 PolarHBondContact O-OG1 3.37Å; I1907-T1910 VanDerWaalsContact O-OG1 3.07Å; T1910-G1912 PolarHBondContact O-N 2.84Å; T1910-S1913 PolarHBondContact O-N 3.4Å; T1910-I1916 HydrophobicContact CG2-CB 4.39Å; T1910-I1916 HydrophobicContact CG2-CG2 3.56Å; T1910-L1920 HydrophobicContact CG2-CD2 4.33Å | ||
| 1911 | G | 56.3 | Low | 71.5 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 91% | 0.907 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 18.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | V1909 | V1909-G1911 VanDerWaalsContact C-N 3.26Å; V1909-G1911 PolarHBondContact O-N 3.25Å; V1909-G1911 VanDerWaalsContact O-N 3.08Å |
| 1912 | G | 63.6 | Low | 71.4 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 85% | 0.845 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.7 | 3.1 | 178 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1910 | T1910-G1912 PolarHBondContact O-N 2.84Š|
| 1913 | S | 67.9 | Low | 71.3 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | trans | -130 | 108.3 | -178.5 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | T1910 Q1915 I1916 A1917 | T1910-S1913 PolarHBondContact O-N 3.4Å; S1913-Q1915 VanDerWaalsContact C-N 3.35Å; S1913-Q1915 PolarHBondContact O-N 3.34Å; S1913-I1916 PolarHBondContact O-N 3.29Å; S1913-A1917 WeakPolarHBondContact O-CB 3.49Å; S1913-A1917 PolarHBondContact O-N 3.48Å | ||
| 1914 | S | 71.7 | Confident | 71.4 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 64% | 0.643 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | -179 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | A1917 L1918 | S1914-A1917 PolarHBondContact O-N 3.3Å; S1914-L1918 WeakPolarHBondContact O-CB 3.38Å; S1914-L1918 WeakPolarHBondContact O-CG 3.45Å; S1914-L1918 PolarHBondContact O-N 3.2Å |
| 1915 | Q | 68 | Low | 71.7 | Confident | 144 Ų | 144 | 67.5 Ų | 67.5 | 67% | 0.673 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 178.4 | -78.9 | -170.3 | -21.5 | 0 | 0 | 112.7 | S1913 A1919 | S1913-Q1915 VanDerWaalsContact C-N 3.35Å; S1913-Q1915 PolarHBondContact O-N 3.34Å; Q1915-A1919 PolarHBondContact O-N 3.05Å; Q1915-A1919 VanDerWaalsContact O-N 3.13Å |
| 1916 | I | 71.5 | Confident | 71.6 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.2 | -40.1 | 179.4 | -60.1 | 175.8 | 0 | 0 | 0 | 109.8 | L1862 I1865 F1869 T1910 S1913 L1918 A1919 L1920 | L1862-I1916 HydrophobicContact CB-CD1 4.13Å; L1862-I1916 HydrophobicContact CD2-CD1 3.4Å; L1862-I1916 HydrophobicContact CG-CD1 4.36Å; I1865-I1916 HydrophobicContact CG2-CD1 3.94Å; I1865-I1916 HydrophobicContact CG2-CG2 4.45Å; F1869-I1916 HydrophobicContact CD2-CG2 4.23Å; F1869-I1916 HydrophobicContact CE2-CG2 3.78Å; T1910-I1916 HydrophobicContact CG2-CB 4.39Å; T1910-I1916 HydrophobicContact CG2-CG2 3.56Å; S1913-I1916 PolarHBondContact O-N 3.29Å; I1916-L1918 VanDerWaalsContact C-N 3.34Å; I1916-L1918 PolarHBondContact O-N 3.37Å; I1916-A1919 PolarHBondContact O-N 2.97Å; I1916-L1920 WeakPolarHBondContact O-CB 3.33Å; I1916-L1920 PolarHBondContact O-N 3.43Å |
| 1917 | A | 72.2 | Confident | 71.9 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1913 S1914 L1920 H1921 | S1913-A1917 WeakPolarHBondContact O-CB 3.49Å; S1913-A1917 PolarHBondContact O-N 3.48Å; S1914-A1917 PolarHBondContact O-N 3.3Å; A1917-L1920 PolarHBondContact O-N 3.23Å; A1917-H1921 VanDerWaalsContact O-CB 3.27Å; A1917-H1921 WeakPolarHBondContact O-CB 3.45Å; A1917-H1921 PolarHBondContact O-N 3.41Å |
| 1918 | L | 76.5 | Confident | 71.8 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.7 | -49.2 | 176.5 | -79.6 | 163.8 | 0 | 0 | 0 | 112.9 | S1914 I1916 L1920 H1921 H1922 | S1914-L1918 WeakPolarHBondContact O-CB 3.38Å; S1914-L1918 WeakPolarHBondContact O-CG 3.45Å; S1914-L1918 PolarHBondContact O-N 3.2Å; I1916-L1918 VanDerWaalsContact C-N 3.34Å; I1916-L1918 PolarHBondContact O-N 3.37Å; L1918-L1920 PolarHBondContact O-N 3.46Å; L1918-H1921 PolarHBondContact O-N 3.14Å; L1918-H1922 PolarHBondContact O-N 3.02Å |
| 1919 | A | 70.3 | Confident | 72 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -42 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | F1869 Q1915 I1916 H1922 L1923 | F1869-A1919 HydrophobicContact CB-CB 4.2Å; Q1915-A1919 PolarHBondContact O-N 3.05Å; Q1915-A1919 VanDerWaalsContact O-N 3.13Å; I1916-A1919 PolarHBondContact O-N 2.97Å; A1919-H1922 PolarHBondContact O-N 3.2Å; A1919-L1923 WeakPolarHBondContact O-CB 3.31Å; A1919-L1923 PolarHBondContact O-N 3.22Å |
| 1920 | L | 78.7 | Confident | 71.9 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 176.2 | -175.6 | 64 | 0 | 0 | 0 | 111.6 | F1869 I1903 C1906 I1907 T1910 I1916 A1917 L1918 H1922 L1923 L1924 | F1869-L1920 HydrophobicContact CE1-CD1 3.84Å; F1869-L1920 HydrophobicContact CE2-CB 4.4Å; F1869-L1920 HydrophobicContact CE2-CD1 4.21Å; F1869-L1920 HydrophobicContact CZ-CD1 3.68Å; I1903-L1920 HydrophobicContact CG2-CD1 3.56Å; C1906-L1920 HydrophobicContact CB-CD1 4.47Å; C1906-L1920 HydrophobicContact CB-CD2 4.4Å; I1907-L1920 HydrophobicContact CB-CD2 4.24Å; I1907-L1920 HydrophobicContact CG1-CD2 3.71Å; I1907-L1920 HydrophobicContact CG1-CG 4.3Å; T1910-L1920 HydrophobicContact CG2-CD2 4.33Å; I1916-L1920 WeakPolarHBondContact O-CB 3.33Å; I1916-L1920 PolarHBondContact O-N 3.43Å; A1917-L1920 PolarHBondContact O-N 3.23Å; L1918-L1920 PolarHBondContact O-N 3.46Å; L1920-H1922 PolarHBondContact O-N 3.35Å; L1920-L1923 PolarHBondContact O-N 2.88Å; L1920-L1924 HydrophobicContact CD1-CD1 4.33Å; L1920-L1924 HydrophobicContact CD1-CG 4.5Å; L1920-L1924 HydrophobicContact CG-CD1 3.94Å; L1920-L1924 WeakPolarHBondContact O-CB 3.48Å; L1920-L1924 WeakPolarHBondContact O-CD1 3.35Å; L1920-L1924 VanDerWaalsContact O-CG 3.25Å; L1920-L1924 WeakPolarHBondContact O-CG 3.46Å; L1920-L1924 PolarHBondContact O-N 3.05Å |
| 1921 | H | 77.9 | Confident | 72 | Confident | 142 Ų | 142 | 68.3 Ų | 68.3 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | 178 | -150.4 | 100.2 | 0 | 0 | 0 | 111.9 | A1917 L1918 R1925 | A1917-H1921 VanDerWaalsContact O-CB 3.27Å; A1917-H1921 WeakPolarHBondContact O-CB 3.45Å; A1917-H1921 PolarHBondContact O-N 3.41Å; L1918-H1921 PolarHBondContact O-N 3.14Å; H1921-R1925 VanDerWaalsContact O-CB 3.31Å; H1921-R1925 WeakPolarHBondContact O-CB 3.39Å; H1921-R1925 PolarHBondContact O-N 3.4Å |
| 1922 | H | 78 | Confident | 71.9 | Confident | 104 Ų | 104 | 67 Ų | 67 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 174.5 | -167.5 | -20.5 | 0 | 0 | 0 | 111.9 | L1918 A1919 L1920 R1925 L1926 | L1918-H1922 PolarHBondContact O-N 3.02Å; A1919-H1922 PolarHBondContact O-N 3.2Å; L1920-H1922 PolarHBondContact O-N 3.35Å; H1922-R1925 PolarHBondContact O-N 3.38Å; H1922-L1926 PolarHBondContact O-N 3.18Å |
| 1923 | L | 76.5 | Confident | 71 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 177.4 | -176.2 | 63.6 | 0 | 0 | 0 | 111.5 | F1869 L1872 L1876 I1903 A1919 L1920 R1925 L1926 Y1927 | F1869-L1923 HydrophobicContact CB-CD2 4.38Å; F1869-L1923 HydrophobicContact CD1-CD2 3.45Å; F1869-L1923 VanDerWaalsContact CD1-CD2 3.45Å; F1869-L1923 HydrophobicContact CE1-CD2 4.1Å; F1869-L1923 HydrophobicContact CG-CD2 4.26Å; L1872-L1923 HydrophobicContact CB-CD1 3.83Å; L1872-L1923 HydrophobicContact CB-CD2 4.25Å; L1872-L1923 HydrophobicContact CD1-CD2 4.2Å; L1876-L1923 HydrophobicContact CD1-CD1 3.51Å; I1903-L1923 HydrophobicContact CD1-CD2 3.87Å; I1903-L1923 HydrophobicContact CD1-CG 4.41Å; I1903-L1923 HydrophobicContact CG1-CD2 4.16Å; I1903-L1923 HydrophobicContact CG2-CD2 3.91Å; I1903-L1923 HydrophobicContact CG2-CG 4.41Å; A1919-L1923 WeakPolarHBondContact O-CB 3.31Å; A1919-L1923 PolarHBondContact O-N 3.22Å; L1920-L1923 PolarHBondContact O-N 2.88Å; L1923-R1925 VanDerWaalsContact C-N 3.34Å; L1923-R1925 PolarHBondContact O-N 2.83Å; L1923-L1926 PolarHBondContact O-N 3.17Å; L1923-Y1927 HydrophobicContact CD1-CD2 4.34Å; L1923-Y1927 HydrophobicContact CD1-CE2 4.17Å; L1923-Y1927 HydrophobicContact CG-CD2 4.31Å; L1923-Y1927 HydrophobicContact CG-CE2 4.31Å; L1923-Y1927 WeakPolarHBondContact O-CD2 3.2Å; L1923-Y1927 PolarHBondContact O-N 3.4Å |
| 1924 | L | 79.7 | Confident | 70 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 19% | 0.194 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 175.2 | -71.9 | 165.3 | 0 | 0 | 0 | 112.2 | Y1900 I1903 V1904 I1907 L1920 Y1927 G1928 | Y1900-L1924 HydrophobicContact CE2-CD2 4.16Å; I1903-L1924 HydrophobicContact CG2-CD2 3.98Å; I1903-L1924 HydrophobicContact CG2-CG 4.31Å; V1904-L1924 HydrophobicContact CG2-CD2 4.16Å; I1907-L1924 HydrophobicContact CD1-CD1 3.48Å; I1907-L1924 VanDerWaalsContact CD1-CD1 3.48Å; I1907-L1924 HydrophobicContact CD1-CD2 4.28Å; I1907-L1924 HydrophobicContact CG1-CD1 3.79Å; L1920-L1924 HydrophobicContact CD1-CD1 4.33Å; L1920-L1924 HydrophobicContact CD1-CG 4.5Å; L1920-L1924 HydrophobicContact CG-CD1 3.94Å; L1920-L1924 WeakPolarHBondContact O-CB 3.48Å; L1920-L1924 WeakPolarHBondContact O-CD1 3.35Å; L1920-L1924 VanDerWaalsContact O-CG 3.25Å; L1920-L1924 WeakPolarHBondContact O-CG 3.46Å; L1920-L1924 PolarHBondContact O-N 3.05Å; L1924-Y1927 PolarHBondContact O-N 3.43Å; L1924-G1928 PolarHBondContact O-N 3.21Å |
| 1925 | R | 81.4 | Confident | 68.4 | Low | 163 Ų | 163 | 74.8 Ų | 74.8 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 173.6 | 179.9 | 176.3 | 174.3 | 155 | 3.2 | 111.8 | H1921 H1922 L1923 G1928 E1929 | H1921-R1925 VanDerWaalsContact O-CB 3.31Å; H1921-R1925 WeakPolarHBondContact O-CB 3.39Å; H1921-R1925 PolarHBondContact O-N 3.4Å; H1922-R1925 PolarHBondContact O-N 3.38Å; L1923-R1925 VanDerWaalsContact C-N 3.34Å; L1923-R1925 PolarHBondContact O-N 2.83Å; R1925-G1928 CarbonylContact O-C 3.55Å; R1925-G1928 WeakPolarHBondContact O-CA 3.45Å; R1925-G1928 PolarHBondContact O-N 3.18Å; R1925-G1928 VanDerWaalsContact O-N 3.11Å; R1925-E1929 HydrophobicContact CG-CG 4.5Å; R1925-E1929 IonicContact CZ-OE1 3.87Å; R1925-E1929 IonicContact NE-OE1 3.81Å; R1925-E1929 PolarHBondContact NE-OE1 3.1Å; R1925-E1929 IonicContact NH2-OE1 2.78Å; R1925-E1929 PolarHBondContact NH2-OE1 3.47Å; R1925-E1929 WeakPolarHBondContact O-CG 3.44Å; R1925-E1929 PolarHBondContact O-N 3.33Å |
| 1926 | L | 74.1 | Confident | 67.1 | Low | 9 Ų | 9 | 76.1 Ų | 76.1 | 5% | 0.047 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.5 | -75.7 | 170.5 | 0 | 0 | 0 | 111.3 | T1873 H1922 L1923 G1928 E1929 F1930 | T1873-L1926 HydrophobicContact CG2-CD1 3.72Å; H1922-L1926 PolarHBondContact O-N 3.18Å; L1923-L1926 PolarHBondContact O-N 3.17Å; L1926-G1928 VanDerWaalsContact C-N 3.27Å; L1926-G1928 PolarHBondContact O-N 2.96Å; L1926-E1929 PolarHBondContact O-N 3.35Å; L1926-F1930 WeakPolarHBondContact O-CB 3.46Å; L1926-F1930 PolarHBondContact O-N 3.48Å |
| 1927 | Y | 78.8 | Confident | 65.2 | Low | 9 Ų | 9 | 87.3 Ų | 87.3 | 4% | 0.035 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.4 | -36.8 | 170.7 | -89.6 | -87.3 | 0 | 0 | 0 | 112.4 | L1876 I1896 Y1900 I1903 L1923 L1924 F1930 L1931 | L1876-Y1927 HydrophobicContact CD1-CD2 3.86Å; L1876-Y1927 HydrophobicContact CD1-CE2 3.47Å; L1876-Y1927 VanDerWaalsContact CD1-CE2 3.47Å; I1896-Y1927 HydrophobicContact CG2-CE1 4.11Å; I1896-Y1927 PolarHBondContact O-OH 3.14Å; Y1900-Y1927 AromaticContact CD2-CD1 3.51Å; Y1900-Y1927 HydrophobicContact CD2-CD1 3.51Å; Y1900-Y1927 HydrophobicContact CD2-CD2 4.26Å; Y1900-Y1927 AromaticContact CD2-CE1 4Å; Y1900-Y1927 HydrophobicContact CD2-CE1 4Å; Y1900-Y1927 AromaticContact CD2-CG 3.65Å; Y1900-Y1927 HydrophobicContact CD2-CG 3.65Å; Y1900-Y1927 HydrophobicContact CE2-CD1 4.25Å; Y1900-Y1927 HydrophobicContact CE2-CG 4.1Å; Y1900-Y1927 HydrophobicContact CG-CD1 4.22Å; Y1900-Y1927 HydrophobicContact CG-CE1 4.4Å; I1903-Y1927 HydrophobicContact CD1-CD2 4.35Å; I1903-Y1927 HydrophobicContact CD1-CE2 3.47Å; I1903-Y1927 VanDerWaalsContact CD1-CE2 3.47Å; L1923-Y1927 HydrophobicContact CD1-CD2 4.34Å; L1923-Y1927 HydrophobicContact CD1-CE2 4.17Å; L1923-Y1927 HydrophobicContact CG-CD2 4.31Å; L1923-Y1927 HydrophobicContact CG-CE2 4.31Å; L1923-Y1927 WeakPolarHBondContact O-CD2 3.2Å; L1923-Y1927 PolarHBondContact O-N 3.4Å; L1924-Y1927 PolarHBondContact O-N 3.43Å; Y1927-F1930 CarbonylContact O-C 3.56Å; Y1927-F1930 WeakPolarHBondContact O-CB 3.29Å; Y1927-F1930 PolarHBondContact O-N 3.48Å; Y1927-L1931 WeakPolarHBondContact O-CB 3.43Å; Y1927-L1931 WeakPolarHBondContact O-CD1 3.48Å; Y1927-L1931 WeakPolarHBondContact O-CG 3.35Å; Y1927-L1931 PolarHBondContact O-N 3.2Å |
| 1928 | G | 69.4 | Low | 63.7 | Low | 38 Ų | 38 | 91.2 Ų | 91.2 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1924 R1925 L1926 F1930 L1931 A1932 | L1924-G1928 PolarHBondContact O-N 3.21Å; R1925-G1928 CarbonylContact O-C 3.55Å; R1925-G1928 WeakPolarHBondContact O-CA 3.45Å; R1925-G1928 PolarHBondContact O-N 3.18Å; R1925-G1928 VanDerWaalsContact O-N 3.11Å; L1926-G1928 VanDerWaalsContact C-N 3.27Å; L1926-G1928 PolarHBondContact O-N 2.96Å; G1928-F1930 VanDerWaalsContact C-N 3.3Å; G1928-L1931 PolarHBondContact O-N 3.26Å; G1928-A1932 PolarHBondContact O-N 2.75Å; G1928-A1932 VanDerWaalsContact O-N 3.14Å |
| 1929 | E | 70.3 | Confident | 61.3 | Low | 94 Ų | 94 | 89.4 Ų | 89.4 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 172.4 | -71.2 | 171.4 | -172.9 | 0 | 0 | 110.9 | R1925 L1926 L1931 A1932 | R1925-E1929 HydrophobicContact CG-CG 4.5Å; R1925-E1929 IonicContact CZ-OE1 3.87Å; R1925-E1929 IonicContact NE-OE1 3.81Å; R1925-E1929 PolarHBondContact NE-OE1 3.1Å; R1925-E1929 IonicContact NH2-OE1 2.78Å; R1925-E1929 PolarHBondContact NH2-OE1 3.47Å; R1925-E1929 WeakPolarHBondContact O-CG 3.44Å; R1925-E1929 PolarHBondContact O-N 3.33Å; L1926-E1929 PolarHBondContact O-N 3.35Å; E1929-L1931 VanDerWaalsContact C-N 3.28Å; E1929-L1931 PolarHBondContact O-N 3.19Å; E1929-A1932 PolarHBondContact O-N 3.23Å |
| 1930 | F | 64.1 | Low | 59.3 | Low | 80 Ų | 80 | 92.5 Ų | 92.5 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -21.1 | 173 | -157 | -87 | 0 | 0 | 0 | 113.6 | L1876 Q1880 W1893 L1926 Y1927 G1928 | L1876-F1930 HydrophobicContact CD2-CD2 4.48Å; Q1880-F1930 HydrophobicContact CG-CD2 3.96Å; Q1880-F1930 HydrophobicContact CG-CE2 4.23Å; W1893-F1930 HydrophobicContact CE3-CZ 4.02Å; W1893-F1930 HydrophobicContact CH2-CE2 4.28Å; W1893-F1930 AromaticContact CH2-CZ 3.85Å; W1893-F1930 HydrophobicContact CH2-CZ 3.85Å; W1893-F1930 HydrophobicContact CZ3-CE1 4.22Å; W1893-F1930 AromaticContact CZ3-CE2 3.96Å; W1893-F1930 HydrophobicContact CZ3-CE2 3.96Å; W1893-F1930 AromaticContact CZ3-CZ 3.31Å; W1893-F1930 HydrophobicContact CZ3-CZ 3.31Å; L1926-F1930 WeakPolarHBondContact O-CB 3.46Å; L1926-F1930 PolarHBondContact O-N 3.48Å; Y1927-F1930 CarbonylContact O-C 3.56Å; Y1927-F1930 WeakPolarHBondContact O-CB 3.29Å; Y1927-F1930 PolarHBondContact O-N 3.48Å; G1928-F1930 VanDerWaalsContact C-N 3.3Å |
| 1931 | L | 66 | Low | 56.8 | Low | 116 Ų | 116 | 97 Ų | 97 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -4.5 | 177.1 | -71.9 | 167.2 | 0 | 0 | 0 | 113.5 | Y1927 G1928 E1929 | Y1927-L1931 WeakPolarHBondContact O-CB 3.43Å; Y1927-L1931 WeakPolarHBondContact O-CD1 3.48Å; Y1927-L1931 WeakPolarHBondContact O-CG 3.35Å; Y1927-L1931 PolarHBondContact O-N 3.2Å; G1928-L1931 PolarHBondContact O-N 3.26Å; E1929-L1931 VanDerWaalsContact C-N 3.28Å; E1929-L1931 PolarHBondContact O-N 3.19Å |
| 1932 | A | 52.6 | Low | 54.2 | Low | 60 Ų | 60 | 96.9 Ų | 96.9 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -79.5 | 130.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1928 E1929 S1934 | G1928-A1932 PolarHBondContact O-N 2.75Å; G1928-A1932 VanDerWaalsContact O-N 3.14Å; E1929-A1932 PolarHBondContact O-N 3.23Å; A1932-S1934 PolarHBondContact O-N 2.9Å |
| 1933 | P | 45 | Very low | 51.9 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | trans | -75.6 | 126.8 | -175.2 | 29.5 | -34.5 | 0 | 0 | 0 | 112.5 | H1935 | P1933-H1935 PolarHBondContact O-N 2.94Š| ||
| 1934 | S | 47.6 | Very low | 49.9 | Very low | 114 Ų | 114 | 105.3 Ų | 105.3 | 80% | 0.797 | 60% | 0.604 | S | S | * | * | trans | -93.4 | 97.7 | -169.4 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | A1932 | A1932-S1934 PolarHBondContact O-N 2.9Š| ||
| 1935 | H | 38.2 | Very low | 47.3 | Very low | 155 Ų | 155 | 110.5 Ų | 110.5 | 72% | 0.718 | 63% | 0.632 | S | S | * | * | trans | -153.4 | 145.5 | 172.5 | -8.1 | -66.3 | 0 | 0 | 0 | 109.8 | P1933 | P1933-H1935 PolarHBondContact O-N 2.94Š| ||
| 1936 | L | 40.6 | Very low | 44.6 | Very low | 172 Ų | 172 | 108.4 Ų | 108.4 | 90% | 0.901 | 63% | 0.633 | S | S | * | * | cis | -143.7 | 151.1 | -5.6 | -75 | 173.2 | 0 | 0 | 0 | 108.6 | ||||
| 1937 | R | 32 | Very low | 42.2 | Very low | 242 Ų | 242 | 115.2 Ų | 115.2 | 91% | 0.913 | 67% | 0.665 | S | S | * | * | trans | -152.9 | 125.9 | 156.6 | -156.9 | 169 | -174.2 | 172.2 | 1.1 | 112.5 | ||||
| 1938 | P | 40 | Very low | 39.8 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -85.5 | 170 | -176.4 | 35.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||||
| 1939 | G | 27.1 | Very low | 37.6 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 88% | 0.876 | 72% | 0.723 | S | S | * | * | trans | -72.9 | 158.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1940 | G | 26.7 | Very low | 35.5 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 88% | 0.876 | 74% | 0.737 | S | S | * | * | trans | -134.9 | 133 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1941 | S | 26.2 | Very low | 33.6 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -120.6 | 142.6 | -169.8 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1942 | N | 24.8 | Very low | 31.8 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 68.4 | 147.7 | 158 | -71.5 | -6.4 | 0 | 0 | 0 | 122 | ||||
| 1943 | N | 27.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 78.5 | 84.1 | 151.5 | -65.6 | -0.6 | 0 | 0 | 0 | 120.4 | ||||
| 1944 | I | 35.1 | Very low | 29.6 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | 31.8 | 103.3 | 109.3 | -46.7 | 168.4 | 0 | 0 | 0 | 115.3 | |||||
| 1945 | N | 24.6 | Very low | 28.6 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | -171.5 | 134.9 | 120.8 | -91.7 | -26 | 0 | 0 | 0 | 111.3 | |||||
| 1946 | N | 24.7 | Very low | 28 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 78% | 0.781 | S | S | * | * | trans | 26.1 | 128.5 | 149.5 | -79.6 | 28.6 | 0 | 0 | 0 | 123.1 | ||||
| 1947 | E | 24 | Very low | 27.3 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | 87.3 | 122.4 | 124.9 | -70.1 | 161.3 | 174.5 | 0 | 0 | 120.4 | |||||
| 1948 | D | 29.3 | Very low | 26.9 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 64.8 | 76.4 | 131.3 | -56.7 | -8.5 | 0 | 0 | 0 | 119.3 | ||||
| 1949 | Y | 22.6 | Very low | 26.2 | Very low | 231 Ų | 231 | 131.7 Ų | 131.7 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | -137.9 | 133.9 | 122.7 | -119 | -86.7 | 0 | 0 | 0 | 112 | G1951 | Y1949-G1951 PolarHBondContact O-N 3.17Š| |||
| 1950 | S | 26.1 | Very low | 26.2 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -70.3 | 86.1 | -177.6 | 39.5 | 0 | 0 | 0 | 0 | 112.8 | I1952 | S1950-I1952 PolarHBondContact O-N 3.29Š| ||
| 1951 | G | 24.5 | Very low | 26.1 | Very low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -92.7 | 78 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1949 V1953 | Y1949-G1951 PolarHBondContact O-N 3.17Å; G1951-V1953 PolarHBondContact O-N 2.98Å | ||
| 1952 | I | 29.3 | Very low | 26.1 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -32.6 | 112.4 | 168.1 | -60.3 | 159.1 | 0 | 0 | 0 | 111.1 | S1950 | S1950-I1952 PolarHBondContact O-N 3.29Š| ||
| 1953 | V | 26.2 | Very low | 26.2 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | 73.5 | 73.9 | 53.8 | -169 | 0 | 0 | 0 | 0 | 113.7 | G1951 | G1951-V1953 PolarHBondContact O-N 2.98Š| |||
| 1954 | H | 24.6 | Very low | 26.2 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | -117.1 | 89.2 | 150.6 | -97.6 | -35.3 | 0 | 0 | 0 | 108.7 | ||||
| 1955 | G | 26.6 | Very low | 25.9 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | -84.6 | 113.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1957 | G1955-N1957 PolarHBondContact O-N 3.46Š| ||
| 1956 | N | 25.5 | Very low | 26 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -74 | 84 | 179.6 | -78.6 | -17.7 | 0 | 0 | 0 | 111.8 | I1958 | N1956-I1958 PolarHBondContact O-N 3.03Å; N1956-I1958 VanDerWaalsContact O-N 3.08Å | ||
| 1957 | N | 24.9 | Very low | 26.2 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -69.1 | 95.5 | 165.1 | -82 | -23 | 0 | 0 | 0 | 110.2 | G1955 N1959 | G1955-N1957 PolarHBondContact O-N 3.46Å; N1957-N1959 PolarHBondContact O-N 3.38Å; N1957-N1959 VanDerWaalsContact O-N 3.09Å | ||
| 1958 | I | 24.6 | Very low | 26.4 | Very low | 157 Ų | 157 | 136 Ų | 136 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | trans | -84.7 | 56 | 165 | -47.5 | 179.8 | 0 | 0 | 0 | 108.9 | N1956 S1960 | N1956-I1958 PolarHBondContact O-N 3.03Å; N1956-I1958 VanDerWaalsContact O-N 3.08Å; I1958-S1960 PolarHBondContact O-N 3.24Å | ||
| 1959 | N | 25.5 | Very low | 26.2 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | -75.9 | 116.1 | 162 | -83.5 | -11.2 | 0 | 0 | 0 | 107.4 | N1957 | N1957-N1959 PolarHBondContact O-N 3.38Å; N1957-N1959 VanDerWaalsContact O-N 3.09Å | ||
| 1960 | S | 27.2 | Very low | 26.3 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | trans | 35.2 | 91 | 156.6 | 58.1 | 0 | 0 | 0 | 0 | 116 | I1958 N1962 | I1958-S1960 PolarHBondContact O-N 3.24Å; S1960-N1962 PolarHBondContact O-N 2.73Å | ||
| 1961 | M | 23.5 | Very low | 26.3 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -62 | 90.8 | 148.1 | -77.4 | -177.1 | -179 | 0 | 0 | 107.5 | I1963 | M1961-I1963 PolarHBondContact O-N 2.64Å; M1961-I1963 VanDerWaalsContact O-N 3.14Å | ||
| 1962 | N | 27.6 | Very low | 26.3 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 54% | 0.54 | 75% | 0.747 | S | S | . | * | trans | -61.7 | 114.2 | 173.1 | -91.8 | -0.6 | 0 | 0 | 0 | 108.6 | S1960 E1964 | S1960-N1962 PolarHBondContact O-N 2.73Å; N1962-E1964 PolarHBondContact O-N 2.83Å; N1962-E1964 VanDerWaalsContact O-N 3.12Å | ||
| 1963 | I | 26.9 | Very low | 26.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -10.7 | -177.2 | -68.4 | 174.5 | 0 | 0 | 0 | 112 | M1961 | M1961-I1963 PolarHBondContact O-N 2.64Å; M1961-I1963 VanDerWaalsContact O-N 3.14Å |
| 1964 | E | 27.4 | Very low | 26 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -27 | -177 | -66.8 | -176.5 | 129.9 | 0 | 0 | 115.3 | N1962 | N1962-E1964 PolarHBondContact O-N 2.83Å; N1962-E1964 VanDerWaalsContact O-N 3.12Å |
| 1965 | N | 28.3 | Very low | 26 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -9.8 | -166.4 | -84.2 | -2.6 | 0 | 0 | 0 | 116.3 | I1967 | N1965-I1967 VanDerWaalsContact C-N 3.29Å; N1965-I1967 PolarHBondContact O-N 2.71Å |
| 1966 | D | 26.5 | Very low | 25.9 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 6 | 179.8 | -84 | -14.1 | 0 | 0 | 0 | 114.2 | ||
| 1967 | I | 30.3 | Very low | 25.8 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.1 | -18 | -175.9 | -61.8 | -178.3 | 0 | 0 | 0 | 113.3 | N1965 | N1965-I1967 VanDerWaalsContact C-N 3.29Å; N1965-I1967 PolarHBondContact O-N 2.71Å |
| 1968 | T | 28 | Very low | 25.8 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -92.3 | -2.1 | -170 | 50.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1969 | N | 24.8 | Very low | 25.8 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -113.5 | 73.9 | 174.8 | -94.8 | -22.8 | 0 | 0 | 0 | 112.5 | ||||
| 1970 | N | 24.5 | Very low | 25.8 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -139.7 | 56.7 | 166.8 | -103.5 | -39.2 | 0 | 0 | 0 | 111.6 | ||||
| 1971 | N | 25.2 | Very low | 25.7 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -94.2 | 99 | 170.5 | -100 | -24.1 | 0 | 0 | 0 | 111.7 | ||||
| 1972 | I | 24.8 | Very low | 26 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | trans | 58.3 | 107.2 | 135.6 | -53.1 | 159.9 | 0 | 0 | 0 | 117.1 | ||||
| 1973 | S | 24.5 | Very low | 25.9 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | -177.9 | 162.4 | 104.5 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1974 | Q | 24.8 | Very low | 25.9 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 143 | -172.2 | -60.1 | 163.8 | -13.7 | 0 | 0 | 112.1 | ||||
| 1975 | N | 24.1 | Very low | 25.8 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -154.8 | 104.8 | 134.7 | -104.3 | -29 | 0 | 0 | 0 | 111.5 | T1977 | N1975-T1977 PolarHBondContact O-N 3.48Š| ||
| 1976 | K | 24.7 | Very low | 25.7 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -80.8 | 107.7 | 162.7 | -80.4 | -178.9 | 174.9 | 177.6 | 0 | 108.2 | ||||
| 1977 | T | 24.7 | Very low | 25.6 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 68% | 0.681 | 82% | 0.819 | S | S | * | * | trans | -133.9 | 115 | 163.3 | 45.3 | 0 | 0 | 0 | 0 | 111.1 | N1975 | N1975-T1977 PolarHBondContact O-N 3.48Š| ||
| 1978 | S | 23.7 | Very low | 25.3 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | 48.6 | 102.7 | 151.6 | 57.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1979 | L | 25.4 | Very low | 25.1 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 78% | 0.78 | 84% | 0.836 | S | S | * | * | 49.3 | 126.8 | 119.5 | -78.1 | 152.3 | 0 | 0 | 0 | 121.9 | |||||
| 1980 | N | 25.1 | Very low | 25.1 | Very low | 158 Ų | 158 | 148 Ų | 148 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 69.2 | 124.4 | 142.2 | -65.8 | -6.1 | 0 | 0 | 0 | 120.8 | ||||
| 1981 | G | 25.5 | Very low | 25.2 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | trans | 174.9 | 77.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1982 | T | 29.7 | Very low | 25.2 | Very low | 223 Ų | 223 | 147.8 Ų | 147.8 | 100% | 1.368 | 84% | 0.844 | S | S | * | * | trans | 53.4 | 0 | 170 | 55.6 | 0 | 0 | 0 | 0 | 118.3 |
Retrieved 1,982 of 1,982 residues in 430.8 ms
(Link to these results)