| 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 | 47.1 | Very low | 52 | Low | 196 Ų | 196 | 97.4 Ų | 97.4 | 97% | 0.966 | 49% | 0.489 | S | S | * | . | 0 | -51.2 | 0 | -79.1 | -165.8 | 167.5 | 0 | 0 | 114.5 | R3 T4 L5 | M1-R3 PolarHBondContact O-N 3.27Å; M1-T4 WeakPolarHBondContact CA-OG1 3.44Å; M1-T4 PolarHBondContact O-N 3.25Å; M1-T4 PolarHBondContact O-OG1 3.38Å; M1-L5 WeakPolarHBondContact O-CD1 3.12Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | F | 41.7 | Very low | 53 | Low | 121 Ų | 121 | 92.3 Ų | 92.3 | 53% | 0.531 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 178.2 | -92.9 | -96.5 | 0 | 0 | 0 | 115.1 | T4 L5 N6 I59 | F2-T4 VanDerWaalsContact C-N 3.33Å; F2-T4 PolarHBondContact O-N 3.11Å; F2-L5 PolarHBondContact O-N 3.37Å; F2-N6 PolarHBondContact O-N 3.42Å; F2-N6 VanDerWaalsContact O-N 3.13Å; F2-I59 HydrophobicContact CD1-CG2 3.94Å; F2-I59 HydrophobicContact CE1-CG2 3.03Å; F2-I59 HydrophobicContact CE2-CG2 4.14Å; F2-I59 HydrophobicContact CZ-CG2 3.16Å |
| 3 | R | 49.7 | Very low | 53.9 | Low | 230 Ų | 230 | 87.5 Ų | 87.5 | 87% | 0.868 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.1 | -40.9 | 175.8 | -99.8 | -179.7 | 174 | 167.6 | -2.5 | 111.9 | M1 S7 | M1-R3 PolarHBondContact O-N 3.27Å; R3-S7 PolarHBondContact O-N 3.01Å; R3-S7 PolarHBondContact O-OG 3.34Å |
| 4 | T | 49.7 | Very low | 54.8 | Low | 79 Ų | 79 | 88.9 Ų | 88.9 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.6 | -39.5 | -180 | 45 | 0 | 0 | 0 | 0 | 111.8 | M1 F2 S7 L8 | M1-T4 WeakPolarHBondContact CA-OG1 3.44Å; M1-T4 PolarHBondContact O-N 3.25Å; M1-T4 PolarHBondContact O-OG1 3.38Å; F2-T4 VanDerWaalsContact C-N 3.33Å; F2-T4 PolarHBondContact O-N 3.11Å; T4-S7 WeakPolarHBondContact CA-OG 3.3Å; T4-S7 PolarHBondContact O-OG 2.9Å; T4-L8 VanDerWaalsContact O-CB 3.26Å; T4-L8 WeakPolarHBondContact O-CB 3.26Å; T4-L8 VanDerWaalsContact O-CD1 3.22Å; T4-L8 WeakPolarHBondContact O-CD1 3.37Å; T4-L8 WeakPolarHBondContact O-CG 3.32Å; T4-L8 PolarHBondContact O-N 2.9Å |
| 5 | L | 47.5 | Very low | 55.7 | Low | 57 Ų | 57 | 91.7 Ų | 91.7 | 30% | 0.298 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 176 | -73.9 | 155.4 | 0 | 0 | 0 | 112.4 | M1 F2 L8 T9 I59 | M1-L5 WeakPolarHBondContact O-CD1 3.12Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 VanDerWaalsContact O-N 3.09Å; F2-L5 PolarHBondContact O-N 3.37Å; L5-L8 PolarHBondContact O-N 3.49Å; L5-T9 VanDerWaalsContact O-CG2 3.31Å; L5-T9 WeakPolarHBondContact O-CG2 3.28Å; L5-T9 PolarHBondContact O-N 2.55Å; L5-T9 PolarHBondContact O-OG1 3.37Å; L5-I59 HydrophobicContact CB-CD1 4.26Å; L5-I59 HydrophobicContact CD1-CD1 3.92Å; L5-I59 HydrophobicContact CD2-CD1 4.48Å; L5-I59 HydrophobicContact CG-CD1 4.45Å |
| 6 | N | 48.3 | Very low | 56.3 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 31% | 0.305 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70 | -41.3 | 178.2 | -119.7 | 16.1 | 0 | 0 | 0 | 112.2 | F2 L8 T9 I10 I67 L71 | F2-N6 PolarHBondContact O-N 3.42Å; F2-N6 VanDerWaalsContact O-N 3.13Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 2.88Å; N6-T9 WeakPolarHBondContact CA-OG1 3.45Å; N6-T9 PolarHBondContact O-N 3.27Å; N6-T9 PolarHBondContact O-OG1 3.46Å; N6-I10 WeakPolarHBondContact O-CG1 3.37Å; N6-I10 PolarHBondContact O-N 2.67Å; N6-I10 VanDerWaalsContact O-N 3.11Å; N6-I67 VanDerWaalsContact ND2-CG2 3.3Å; N6-I67 WeakPolarHBondContact ND2-CG2 3.41Å; N6-L71 HydrophobicContact CB-CD1 4.38Å; N6-L71 WeakPolarHBondContact ND2-CD1 3.11Å; N6-L71 VanDerWaalsContact OD1-CD1 3.23Å; N6-L71 WeakPolarHBondContact OD1-CD1 3.35Å |
| 7 | S | 55.8 | Low | 57 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 41% | 0.406 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 172.8 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | R3 T4 T9 I10 V11 | R3-S7 PolarHBondContact O-N 3.01Å; R3-S7 PolarHBondContact O-OG 3.34Å; T4-S7 WeakPolarHBondContact CA-OG 3.3Å; T4-S7 PolarHBondContact O-OG 2.9Å; S7-T9 PolarHBondContact O-N 2.84Å; S7-I10 PolarHBondContact O-N 3.37Å; S7-V11 VanDerWaalsContact O-CB 3.28Å; S7-V11 WeakPolarHBondContact O-CB 3.15Å; S7-V11 WeakPolarHBondContact O-CG2 3.41Å; S7-V11 PolarHBondContact O-N 3.33Å |
| 8 | L | 54.2 | Low | 57.7 | Low | 106 Ų | 106 | 91.2 Ų | 91.2 | 56% | 0.555 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 176.1 | -78 | 160 | 0 | 0 | 0 | 112.2 | T4 L5 N6 V11 S12 | T4-L8 VanDerWaalsContact O-CB 3.26Å; T4-L8 WeakPolarHBondContact O-CB 3.26Å; T4-L8 VanDerWaalsContact O-CD1 3.22Å; T4-L8 WeakPolarHBondContact O-CD1 3.37Å; T4-L8 WeakPolarHBondContact O-CG 3.32Å; T4-L8 PolarHBondContact O-N 2.9Å; L5-L8 PolarHBondContact O-N 3.49Å; N6-L8 VanDerWaalsContact C-N 3.28Å; N6-L8 PolarHBondContact O-N 2.88Å; L8-V11 PolarHBondContact O-N 3.36Å; L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.26Å |
| 9 | T | 56.8 | Low | 58.2 | Low | 44 Ų | 44 | 89.9 Ų | 89.9 | 27% | 0.27 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | L5 N6 S7 S12 G13 W53 | L5-T9 VanDerWaalsContact O-CG2 3.31Å; L5-T9 WeakPolarHBondContact O-CG2 3.28Å; L5-T9 PolarHBondContact O-N 2.55Å; L5-T9 PolarHBondContact O-OG1 3.37Å; N6-T9 WeakPolarHBondContact CA-OG1 3.45Å; N6-T9 PolarHBondContact O-N 3.27Å; N6-T9 PolarHBondContact O-OG1 3.46Å; S7-T9 PolarHBondContact O-N 2.84Å; T9-S12 PolarHBondContact O-N 2.89Å; T9-G13 PolarHBondContact O-N 2.97Å; T9-W53 VanDerWaalsContact CB-CH2 3.47Å; T9-W53 HydrophobicContact CG2-CH2 3.61Å; T9-W53 HydrophobicContact CG2-CZ2 4.37Å; T9-W53 HydrophobicContact CG2-CZ3 3.82Å; T9-W53 WeakPolarHBondContact O-CH2 3.31Å |
| 10 | I | 59.7 | Low | 58.5 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.287 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.3 | -44.1 | 177.1 | -66.6 | 163.5 | 0 | 0 | 0 | 110.2 | N6 S7 S12 G13 F14 L71 L74 | N6-I10 WeakPolarHBondContact O-CG1 3.37Å; N6-I10 PolarHBondContact O-N 2.67Å; N6-I10 VanDerWaalsContact O-N 3.11Å; S7-I10 PolarHBondContact O-N 3.37Å; I10-S12 VanDerWaalsContact C-N 3.26Å; I10-S12 PolarHBondContact O-N 2.88Å; I10-G13 PolarHBondContact O-N 2.9Å; I10-F14 VanDerWaalsContact O-CB 3.31Å; I10-F14 WeakPolarHBondContact O-CB 3.37Å; I10-F14 PolarHBondContact O-N 3.32Å; I10-L71 HydrophobicContact CD1-CD1 4.1Å; I10-L71 HydrophobicContact CD1-CG 4.4Å; I10-L74 HydrophobicContact CD1-CD1 4.39Å; I10-L74 HydrophobicContact CD1-CD2 4.2Å; I10-L74 HydrophobicContact CG1-CD2 4.49Å; I10-L74 HydrophobicContact CG2-CD2 3.91Å |
| 11 | V | 61.9 | Low | 58.8 | Low | 67 Ų | 67 | 88.1 Ų | 88.1 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 174.8 | 169 | 0 | 0 | 0 | 0 | 110.3 | S7 L8 F14 F15 | S7-V11 VanDerWaalsContact O-CB 3.28Å; S7-V11 WeakPolarHBondContact O-CB 3.15Å; S7-V11 WeakPolarHBondContact O-CG2 3.41Å; S7-V11 PolarHBondContact O-N 3.33Å; L8-V11 PolarHBondContact O-N 3.36Å; V11-F14 WeakPolarHBondContact O-CB 3.31Å; V11-F14 PolarHBondContact O-N 2.88Å; V11-F15 HydrophobicContact CG1-CD2 3.6Å; V11-F15 HydrophobicContact CG1-CE2 3.4Å; V11-F15 VanDerWaalsContact CG1-CE2 3.4Å; V11-F15 WeakPolarHBondContact O-CD2 3.46Å; V11-F15 PolarHBondContact O-N 3.13Å |
| 12 | S | 63.2 | Low | 59.5 | Low | 37 Ų | 37 | 85.4 Ų | 85.4 | 26% | 0.259 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 177.1 | 174.2 | 0 | 0 | 0 | 0 | 112.9 | L8 T9 I10 F14 F15 W16 W53 | L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.26Å; T9-S12 PolarHBondContact O-N 2.89Å; I10-S12 VanDerWaalsContact C-N 3.26Å; I10-S12 PolarHBondContact O-N 2.88Å; S12-F14 VanDerWaalsContact C-N 3.28Å; S12-F14 PolarHBondContact O-N 2.9Å; S12-F15 PolarHBondContact O-N 3.48Å; S12-W16 PolarHBondContact O-N 3.25Å; S12-W53 VanDerWaalsContact OG-CZ3 3.3Å; S12-W53 WeakPolarHBondContact OG-CZ3 3.48Å |
| 13 | G | 65.4 | Low | 60.4 | Low | 29 Ų | 29 | 80.7 Ų | 80.7 | 30% | 0.299 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T9 I10 W16 L17 | T9-G13 PolarHBondContact O-N 2.97Å; I10-G13 PolarHBondContact O-N 2.9Å; G13-W16 WeakPolarHBondContact O-CB 3.45Å; G13-W16 PolarHBondContact O-N 3.5Å; G13-L17 WeakPolarHBondContact O-CD1 3.38Å; G13-L17 VanDerWaalsContact O-CG 3.31Å; G13-L17 WeakPolarHBondContact O-CG 3.42Å; G13-L17 PolarHBondContact O-N 3.43Å |
| 14 | F | 66 | Low | 61 | Low | 108 Ų | 108 | 73.3 Ų | 73.3 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 172.2 | -178.4 | -101.1 | 0 | 0 | 0 | 112 | I10 V11 S12 W16 L17 L18 | I10-F14 VanDerWaalsContact O-CB 3.31Å; I10-F14 WeakPolarHBondContact O-CB 3.37Å; I10-F14 PolarHBondContact O-N 3.32Å; V11-F14 WeakPolarHBondContact O-CB 3.31Å; V11-F14 PolarHBondContact O-N 2.88Å; S12-F14 VanDerWaalsContact C-N 3.28Å; S12-F14 PolarHBondContact O-N 2.9Å; F14-W16 VanDerWaalsContact C-N 3.3Å; F14-W16 PolarHBondContact O-N 3.16Å; F14-L17 PolarHBondContact O-N 3.12Å; F14-L18 HydrophobicContact CD1-CD1 3.7Å; F14-L18 HydrophobicContact CD1-CG 4.24Å; F14-L18 HydrophobicContact CE1-CD1 3.25Å; F14-L18 HydrophobicContact CE1-CG 3.89Å; F14-L18 HydrophobicContact CZ-CD1 3.87Å; F14-L18 HydrophobicContact CZ-CD2 4.42Å; F14-L18 HydrophobicContact CZ-CG 4.08Å; F14-L18 WeakPolarHBondContact O-CB 3.23Å; F14-L18 PolarHBondContact O-N 3.41Å |
| 15 | F | 67.9 | Low | 61.3 | Low | 130 Ų | 130 | 74.3 Ų | 74.3 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.5 | -38.7 | 172.6 | -86.3 | -65.9 | 0 | 0 | 0 | 112 | V11 S12 L17 L18 F19 | V11-F15 HydrophobicContact CG1-CD2 3.6Å; V11-F15 HydrophobicContact CG1-CE2 3.4Å; V11-F15 VanDerWaalsContact CG1-CE2 3.4Å; V11-F15 WeakPolarHBondContact O-CD2 3.46Å; V11-F15 PolarHBondContact O-N 3.13Å; S12-F15 PolarHBondContact O-N 3.48Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 2.92Å; F15-L18 PolarHBondContact O-N 3.5Å; F15-F19 VanDerWaalsContact O-CB 3.23Å; F15-F19 WeakPolarHBondContact O-CB 3.05Å; F15-F19 PolarHBondContact O-N 3.5Å |
| 16 | W | 66.1 | Low | 61.6 | Low | 142 Ų | 142 | 75.7 Ų | 75.7 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.8 | -163.2 | 75 | 0 | 0 | 0 | 111.9 | S12 G13 F14 F19 L20 | S12-W16 PolarHBondContact O-N 3.25Å; G13-W16 WeakPolarHBondContact O-CB 3.45Å; G13-W16 PolarHBondContact O-N 3.5Å; F14-W16 VanDerWaalsContact C-N 3.3Å; F14-W16 PolarHBondContact O-N 3.16Å; W16-F19 WeakPolarHBondContact O-CB 3.38Å; W16-F19 PolarHBondContact O-N 3.04Å; W16-L20 HydrophobicContact CD2-CD1 4.19Å; W16-L20 HydrophobicContact CE3-CD1 3.67Å; W16-L20 HydrophobicContact CH2-CD1 3.72Å; W16-L20 HydrophobicContact CZ2-CD1 4.21Å; W16-L20 HydrophobicContact CZ3-CD1 3.42Å; W16-L20 VanDerWaalsContact CZ3-CD1 3.42Å; W16-L20 WeakPolarHBondContact O-CG 3.32Å; W16-L20 PolarHBondContact O-N 3.35Å |
| 17 | L | 68.3 | Low | 61.9 | Low | 46 Ų | 46 | 80.5 Ų | 80.5 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -72.8 | -39.3 | 177.5 | -67.9 | 160.4 | 0 | 0 | 0 | 112.5 | G13 F14 F15 F19 L20 F21 V78 I82 | G13-L17 WeakPolarHBondContact O-CD1 3.38Å; G13-L17 VanDerWaalsContact O-CG 3.31Å; G13-L17 WeakPolarHBondContact O-CG 3.42Å; G13-L17 PolarHBondContact O-N 3.43Å; F14-L17 PolarHBondContact O-N 3.12Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 PolarHBondContact O-N 2.92Å; L17-F19 VanDerWaalsContact C-N 3.26Å; L17-F19 PolarHBondContact O-N 3.43Å; L17-L20 PolarHBondContact O-N 3.44Å; L17-F21 WeakPolarHBondContact O-CB 3.19Å; L17-F21 PolarHBondContact O-N 3.46Å; L17-V78 HydrophobicContact CD1-CG1 4.21Å; L17-I82 HydrophobicContact CB-CD1 3.74Å; L17-I82 HydrophobicContact CD1-CD1 3.17Å; L17-I82 HydrophobicContact CD2-CD1 4.27Å; L17-I82 HydrophobicContact CD2-CG2 4.33Å; L17-I82 HydrophobicContact CG-CD1 3.87Å |
| 18 | L | 68.9 | Low | 61.8 | Low | 79 Ų | 79 | 82 Ų | 82 | 41% | 0.414 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 169.8 | -83.2 | 177.7 | 0 | 0 | 0 | 111.4 | F14 F15 F21 W22 | F14-L18 HydrophobicContact CD1-CD1 3.7Å; F14-L18 HydrophobicContact CD1-CG 4.24Å; F14-L18 HydrophobicContact CE1-CD1 3.25Å; F14-L18 HydrophobicContact CE1-CG 3.89Å; F14-L18 HydrophobicContact CZ-CD1 3.87Å; F14-L18 HydrophobicContact CZ-CD2 4.42Å; F14-L18 HydrophobicContact CZ-CG 4.08Å; F14-L18 WeakPolarHBondContact O-CB 3.23Å; F14-L18 PolarHBondContact O-N 3.41Å; F15-L18 PolarHBondContact O-N 3.5Å; L18-F21 PolarHBondContact O-N 3.03Å; L18-W22 VanDerWaalsContact O-CB 3.32Å; L18-W22 WeakPolarHBondContact O-CB 3.33Å; L18-W22 PolarHBondContact O-N 2.92Å |
| 19 | F | 67.8 | Low | 61.6 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 177.6 | -176 | -91.7 | 0 | 0 | 0 | 111.6 | F15 W16 L17 F21 W22 S23 N42 L46 | F15-F19 VanDerWaalsContact O-CB 3.23Å; F15-F19 WeakPolarHBondContact O-CB 3.05Å; F15-F19 PolarHBondContact O-N 3.5Å; W16-F19 WeakPolarHBondContact O-CB 3.38Å; W16-F19 PolarHBondContact O-N 3.04Å; L17-F19 VanDerWaalsContact C-N 3.26Å; L17-F19 PolarHBondContact O-N 3.43Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.45Å; F19-W22 PolarHBondContact O-N 2.79Å; F19-S23 WeakPolarHBondContact O-CB 3.49Å; F19-S23 PolarHBondContact O-N 3.28Å; F19-S23 PolarHBondContact O-OG 2.88Å; F19-N42 HydrophobicContact CZ-CB 4.06Å; F19-L46 HydrophobicContact CD1-CD2 3.82Å; F19-L46 HydrophobicContact CD1-CG 4.39Å; F19-L46 HydrophobicContact CE1-CD1 3.77Å; F19-L46 HydrophobicContact CE1-CD2 3.75Å; F19-L46 HydrophobicContact CE1-CG 3.81Å; F19-L46 HydrophobicContact CZ-CG 4.35Å |
| 20 | L | 64.1 | Low | 61.1 | Low | 68 Ų | 68 | 83.9 Ų | 83.9 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 173 | -72.6 | 176.6 | 0 | 0 | 0 | 112.3 | W16 L17 S23 T24 | W16-L20 HydrophobicContact CD2-CD1 4.19Å; W16-L20 HydrophobicContact CE3-CD1 3.67Å; W16-L20 HydrophobicContact CH2-CD1 3.72Å; W16-L20 HydrophobicContact CZ2-CD1 4.21Å; W16-L20 HydrophobicContact CZ3-CD1 3.42Å; W16-L20 VanDerWaalsContact CZ3-CD1 3.42Å; W16-L20 WeakPolarHBondContact O-CG 3.32Å; W16-L20 PolarHBondContact O-N 3.35Å; L17-L20 PolarHBondContact O-N 3.44Å; L20-S23 WeakPolarHBondContact CA-OG 3.4Å; L20-S23 PolarHBondContact O-OG 2.85Å; L20-T24 WeakPolarHBondContact O-CB 3.47Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 2.95Å; L20-T24 PolarHBondContact O-OG1 3.11Å |
| 21 | F | 64.6 | Low | 60.6 | Low | 74 Ų | 74 | 87.1 Ų | 87.1 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 174.5 | -175.9 | -98.3 | 0 | 0 | 0 | 111.9 | L17 L18 F19 T24 R25 W89 | L17-F21 WeakPolarHBondContact O-CB 3.19Å; L17-F21 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 3.03Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.45Å; F21-T24 WeakPolarHBondContact CA-OG1 3.32Å; F21-T24 PolarHBondContact O-OG1 3.34Å; F21-R25 VanDerWaalsContact O-CB 3.3Å; F21-R25 WeakPolarHBondContact O-CB 3.42Å; F21-R25 PolarHBondContact O-N 2.73Å; F21-W89 HydrophobicContact CE2-CD2 4.24Å; F21-W89 HydrophobicContact CE2-CG 4.2Å; F21-W89 HydrophobicContact CZ-CD2 4.12Å; F21-W89 HydrophobicContact CZ-CE3 4.27Å |
| 22 | W | 62.4 | Low | 60 | Low | 139 Ų | 139 | 90.8 Ų | 90.8 | 53% | 0.527 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 178 | -168.7 | -81.9 | 0 | 0 | 0 | 111.9 | L18 F19 R25 E26 | L18-W22 VanDerWaalsContact O-CB 3.32Å; L18-W22 WeakPolarHBondContact O-CB 3.33Å; L18-W22 PolarHBondContact O-N 2.92Å; F19-W22 PolarHBondContact O-N 2.79Å; W22-R25 WeakPolarHBondContact O-CB 3.37Å; W22-R25 PolarHBondContact O-N 3.4Å; W22-E26 PolarHBondContact NE1-OE1 3.47Å; W22-E26 PolarHBondContact O-N 3.3Å |
| 23 | S | 61.1 | Low | 59.3 | Low | 23 Ų | 23 | 92.6 Ų | 92.6 | 16% | 0.161 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | F19 L20 R25 E26 F27 | F19-S23 WeakPolarHBondContact O-CB 3.49Å; F19-S23 PolarHBondContact O-N 3.28Å; F19-S23 PolarHBondContact O-OG 2.88Å; L20-S23 WeakPolarHBondContact CA-OG 3.4Å; L20-S23 PolarHBondContact O-OG 2.85Å; S23-R25 VanDerWaalsContact C-N 3.29Å; S23-R25 PolarHBondContact O-N 3.44Å; S23-E26 PolarHBondContact O-N 3.5Å; S23-F27 WeakPolarHBondContact O-CD2 3.43Å; S23-F27 PolarHBondContact O-N 3.35Å |
| 24 | T | 60.8 | Low | 58.2 | Low | 74 Ų | 74 | 97.4 Ų | 97.4 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 112.9 | L20 F21 F27 C28 | L20-T24 WeakPolarHBondContact O-CB 3.47Å; L20-T24 VanDerWaalsContact O-CG2 3.28Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 2.95Å; L20-T24 PolarHBondContact O-OG1 3.11Å; F21-T24 WeakPolarHBondContact CA-OG1 3.32Å; F21-T24 PolarHBondContact O-OG1 3.34Å; T24-F27 WeakPolarHBondContact O-CB 3.47Å; T24-F27 PolarHBondContact O-N 3.09Å; T24-C28 PolarHBondContact O-N 3.28Å; T24-C28 VanDerWaalsContact O-N 3.07Å |
| 25 | R | 56 | Low | 57.2 | Low | 100 Ų | 100 | 95.5 Ų | 95.5 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 172.1 | -176.1 | -176.3 | -177.9 | -170.9 | 5.3 | 111.3 | F21 W22 S23 F27 C28 F29 | F21-R25 VanDerWaalsContact O-CB 3.3Å; F21-R25 WeakPolarHBondContact O-CB 3.42Å; F21-R25 PolarHBondContact O-N 2.73Å; W22-R25 WeakPolarHBondContact O-CB 3.37Å; W22-R25 PolarHBondContact O-N 3.4Å; S23-R25 VanDerWaalsContact C-N 3.29Å; S23-R25 PolarHBondContact O-N 3.44Å; R25-F27 VanDerWaalsContact C-N 3.28Å; R25-F27 PolarHBondContact O-N 2.75Å; R25-C28 PolarHBondContact O-N 3.33Å; R25-C28 VanDerWaalsContact O-N 3.13Å; R25-F29 HydrophobicContact CG-CD2 3.59Å; R25-F29 HydrophobicContact CG-CE2 3.73Å; R25-F29 WeakPolarHBondContact O-CD2 3.31Å; R25-F29 PolarHBondContact O-N 2.75Å |
| 26 | E | 54.2 | Low | 56.2 | Low | 87 Ų | 87 | 95.2 Ų | 95.2 | 41% | 0.407 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 176.2 | -71.9 | -176.6 | 172.9 | 0 | 0 | 111.3 | W22 S23 C28 F29 S30 | W22-E26 PolarHBondContact NE1-OE1 3.47Å; W22-E26 PolarHBondContact O-N 3.3Å; S23-E26 PolarHBondContact O-N 3.5Å; E26-C28 VanDerWaalsContact C-N 3.35Å; E26-C28 PolarHBondContact O-N 3.46Å; E26-F29 PolarHBondContact O-N 2.86Å; E26-S30 PolarHBondContact O-N 3.47Å; E26-S30 VanDerWaalsContact O-N 3.14Å; E26-S30 PolarHBondContact O-OG 2.91Å |
| 27 | F | 54.4 | Low | 55.3 | Low | 158 Ų | 158 | 98.6 Ų | 98.6 | 69% | 0.693 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.2 | -41 | 173.4 | -83.9 | -71.6 | 0 | 0 | 0 | 113.4 | S23 T24 R25 | S23-F27 WeakPolarHBondContact O-CD2 3.43Å; S23-F27 PolarHBondContact O-N 3.35Å; T24-F27 WeakPolarHBondContact O-CB 3.47Å; T24-F27 PolarHBondContact O-N 3.09Å; R25-F27 VanDerWaalsContact C-N 3.28Å; R25-F27 PolarHBondContact O-N 2.75Å |
| 28 | C | 53.2 | Low | 54.4 | Low | 90 Ų | 90 | 97.9 Ų | 97.9 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74.5 | -30.2 | 177.4 | -78.6 | 0 | 0 | 0 | 0 | 113.6 | T24 R25 E26 S30 | T24-C28 PolarHBondContact O-N 3.28Å; T24-C28 VanDerWaalsContact O-N 3.07Å; R25-C28 PolarHBondContact O-N 3.33Å; R25-C28 VanDerWaalsContact O-N 3.13Å; E26-C28 VanDerWaalsContact C-N 3.35Å; E26-C28 PolarHBondContact O-N 3.46Å; C28-S30 VanDerWaalsContact C-N 3.3Å |
| 29 | F | 51.9 | Low | 53.4 | Low | 135 Ų | 135 | 96.9 Ų | 96.9 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -84 | -1.3 | 178.5 | -86 | -79.5 | 0 | 0 | 0 | 113.7 | R25 E26 P31 | R25-F29 HydrophobicContact CG-CD2 3.59Å; R25-F29 HydrophobicContact CG-CE2 3.73Å; R25-F29 WeakPolarHBondContact O-CD2 3.31Å; R25-F29 PolarHBondContact O-N 2.75Å; E26-F29 PolarHBondContact O-N 2.86Å; F29-P31 VanDerWaalsContact C-CD 3.49Å; F29-P31 WeakPolarHBondContact O-CD 3.4Å |
| 30 | S | 45.6 | Very low | 52.5 | Low | 54 Ų | 54 | 98.2 Ų | 98.2 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | trans | -86.9 | 94.2 | 166.2 | -68.4 | 0 | 0 | 0 | 0 | 110 | E26 C28 L32 | E26-S30 PolarHBondContact O-N 3.47Å; E26-S30 VanDerWaalsContact O-N 3.14Å; E26-S30 PolarHBondContact O-OG 2.91Å; C28-S30 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 2.9Å | ||
| 31 | P | 49.9 | Very low | 52 | Low | 123 Ų | 123 | 99.3 Ų | 99.3 | 80% | 0.799 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -66.1 | -12.6 | 173.8 | 28 | -36.9 | 0 | 0 | 0 | 113.1 | F29 | F29-P31 VanDerWaalsContact C-CD 3.49Å; F29-P31 WeakPolarHBondContact O-CD 3.4Å |
| 32 | L | 47.5 | Very low | 51.7 | Low | 144 Ų | 144 | 97.9 Ų | 97.9 | 75% | 0.754 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -121.3 | 103.8 | 179.3 | -68.5 | 134.3 | 0 | 0 | 0 | 107.2 | S30 I34 | S30-L32 PolarHBondContact O-N 2.9Å; L32-I34 PolarHBondContact O-N 2.87Å |
| 33 | G | 48.7 | Very low | 51.3 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 78% | 0.784 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -67.5 | 43.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 34 | I | 43.7 | Very low | 51 | Low | 129 Ų | 129 | 100.9 Ų | 100.9 | 66% | 0.662 | 56% | 0.556 | S | S | * | * | trans | -139.6 | 98.5 | 169.1 | -59.2 | 95.1 | 0 | 0 | 0 | 107.9 | L32 D36 | L32-I34 PolarHBondContact O-N 2.87Å; I34-D36 VanDerWaalsContact CG2-OD2 3.24Å; I34-D36 WeakPolarHBondContact CG2-OD2 3.13Å | ||
| 35 | S | 43.4 | Very low | 51 | Low | 68 Ų | 68 | 102.1 Ų | 102.1 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | trans | -118 | 90.8 | 159.9 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | Y37 | S35-Y37 PolarHBondContact O-N 2.86Š| ||
| 36 | D | 48.2 | Very low | 51 | Low | 125 Ų | 125 | 99.9 Ų | 99.9 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -5.8 | -178.7 | -70 | -38.4 | 0 | 0 | 0 | 113.4 | I34 | I34-D36 VanDerWaalsContact CG2-OD2 3.24Å; I34-D36 WeakPolarHBondContact CG2-OD2 3.13Å |
| 37 | Y | 46 | Very low | 51.3 | Low | 212 Ų | 212 | 102.4 Ų | 102.4 | 83% | 0.831 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -9.5 | -171.5 | -76.9 | -82.5 | 0 | 0 | 0 | 115.6 | S35 | S35-Y37 PolarHBondContact O-N 2.86Š|
| 38 | A | 50.3 | Low | 51.5 | Low | 32 Ų | 32 | 97.5 Ų | 97.5 | 26% | 0.264 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -91.7 | -28.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | N42 | A38-N42 PolarHBondContact O-ND2 3.1Š|
| 39 | P | 48.7 | Very low | 51.9 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 37% | 0.37 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.2 | -40.8 | -170.4 | 24.3 | -29.7 | 0 | 0 | 0 | 113.1 | N42 E43 | P39-N42 PolarHBondContact O-N 3.37Å; P39-E43 WeakPolarHBondContact O-CG 3.39Å; P39-E43 PolarHBondContact O-N 3.35Å; P39-E43 VanDerWaalsContact O-N 3.08Å |
| 40 | V | 47.1 | Very low | 52.2 | Low | 95 Ų | 95 | 93.8 Ų | 93.8 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.2 | -41.2 | -168.2 | -175.6 | 0 | 0 | 0 | 0 | 113 | N42 E43 V44 | V40-N42 VanDerWaalsContact C-N 3.32Å; V40-N42 PolarHBondContact O-N 3.47Å; V40-E43 PolarHBondContact O-N 3.34Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.49Å |
| 41 | T | 53.9 | Low | 52.6 | Low | 90 Ų | 90 | 95.5 Ų | 95.5 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.7 | -33.8 | 178.9 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | L45 | T41-L45 PolarHBondContact O-N 3.41Å |
| 42 | N | 58.5 | Low | 52.8 | Low | 45 Ų | 45 | 95.1 Ų | 95.1 | 24% | 0.241 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 177.4 | -74.3 | -25.6 | 0 | 0 | 0 | 112.3 | F19 A38 P39 V40 L46 | F19-N42 HydrophobicContact CZ-CB 4.06Å; A38-N42 PolarHBondContact O-ND2 3.1Å; P39-N42 PolarHBondContact O-N 3.37Å; V40-N42 VanDerWaalsContact C-N 3.32Å; V40-N42 PolarHBondContact O-N 3.47Å; N42-L46 WeakPolarHBondContact O-CB 3.34Å; N42-L46 WeakPolarHBondContact O-CD1 3.28Å; N42-L46 WeakPolarHBondContact O-CG 3.49Å; N42-L46 PolarHBondContact O-N 2.9Å |
| 43 | E | 55.2 | Low | 53.1 | Low | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 177.8 | -75.7 | 177.1 | -169.9 | 0 | 0 | 112.9 | P39 V40 L46 M47 | P39-E43 WeakPolarHBondContact O-CG 3.39Å; P39-E43 PolarHBondContact O-N 3.35Å; P39-E43 VanDerWaalsContact O-N 3.08Å; V40-E43 PolarHBondContact O-N 3.34Å; E43-L46 WeakPolarHBondContact O-CB 3.3Å; E43-L46 PolarHBondContact O-N 3.49Å; E43-M47 PolarHBondContact O-N 3.02Å |
| 44 | V | 54.8 | Low | 53 | Low | 101 Ų | 101 | 93.8 Ų | 93.8 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.3 | -41.9 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | V40 M47 S48 | V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.49Å; V44-M47 PolarHBondContact O-N 3.35Å; V44-S48 PolarHBondContact O-N 3.35Å; V44-S48 PolarHBondContact O-OG 2.91Å |
| 45 | L | 59.7 | Low | 52.9 | Low | 99 Ų | 99 | 92 Ų | 92 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.7 | -107.2 | 157.3 | 0 | 0 | 0 | 111.1 | T41 S48 I49 | T41-L45 PolarHBondContact O-N 3.41Å; L45-S48 PolarHBondContact O-N 3.33Å; L45-S48 PolarHBondContact O-OG 2.86Å; L45-I49 HydrophobicContact CD2-CD1 4.28Å; L45-I49 WeakPolarHBondContact O-CD1 3.13Å; L45-I49 VanDerWaalsContact O-CG1 3.29Å; L45-I49 WeakPolarHBondContact O-CG1 3.22Å; L45-I49 PolarHBondContact O-N 3.23Å; L45-I49 VanDerWaalsContact O-N 3.08Å |
| 46 | L | 56.5 | Low | 52.9 | Low | 54 Ų | 54 | 94.8 Ų | 94.8 | 28% | 0.283 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 175.8 | -79.9 | 167.7 | 0 | 0 | 0 | 112.7 | F19 N42 E43 S48 I49 S50 | F19-L46 HydrophobicContact CD1-CD2 3.82Å; F19-L46 HydrophobicContact CD1-CG 4.39Å; F19-L46 HydrophobicContact CE1-CD1 3.77Å; F19-L46 HydrophobicContact CE1-CD2 3.75Å; F19-L46 HydrophobicContact CE1-CG 3.81Å; F19-L46 HydrophobicContact CZ-CG 4.35Å; N42-L46 WeakPolarHBondContact O-CB 3.34Å; N42-L46 WeakPolarHBondContact O-CD1 3.28Å; N42-L46 WeakPolarHBondContact O-CG 3.49Å; N42-L46 PolarHBondContact O-N 2.9Å; E43-L46 WeakPolarHBondContact O-CB 3.3Å; E43-L46 PolarHBondContact O-N 3.49Å; L46-S48 PolarHBondContact O-N 2.81Å; L46-I49 PolarHBondContact O-N 3.18Å; L46-S50 PolarHBondContact O-N 3.47Å |
| 47 | M | 59.6 | Low | 52.7 | Low | 140 Ų | 140 | 93.2 Ų | 93.2 | 69% | 0.69 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 178.1 | -77.8 | -157 | 164.1 | 0 | 0 | 111.4 | E43 V44 I49 S50 V51 | E43-M47 PolarHBondContact O-N 3.02Å; V44-M47 PolarHBondContact O-N 3.35Å; M47-I49 VanDerWaalsContact C-N 3.33Å; M47-I49 PolarHBondContact O-N 3.44Å; M47-S50 PolarHBondContact O-N 2.86Å; M47-S50 VanDerWaalsContact O-N 3.13Å; M47-S50 PolarHBondContact O-OG 3.47Å; M47-V51 WeakPolarHBondContact O-CG2 3.46Å; M47-V51 PolarHBondContact O-N 2.89Å |
| 48 | S | 60.2 | Low | 52.5 | Low | 54 Ų | 54 | 91.8 Ų | 91.8 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | -180 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | V44 L45 L46 V51 L52 | V44-S48 PolarHBondContact O-N 3.35Å; V44-S48 PolarHBondContact O-OG 2.91Å; L45-S48 PolarHBondContact O-N 3.33Å; L45-S48 PolarHBondContact O-OG 2.86Å; L46-S48 PolarHBondContact O-N 2.81Å; S48-V51 PolarHBondContact O-N 3.47Å; S48-L52 WeakPolarHBondContact O-CG 3.3Å; S48-L52 PolarHBondContact O-N 2.83Å; S48-L52 VanDerWaalsContact O-N 3.08Å |
| 49 | I | 61.5 | Low | 52.5 | Low | 85 Ų | 85 | 92.9 Ų | 92.9 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 176.7 | -66.6 | 164.1 | 0 | 0 | 0 | 110.5 | L45 L46 M47 V51 W53 | L45-I49 HydrophobicContact CD2-CD1 4.28Å; L45-I49 WeakPolarHBondContact O-CD1 3.13Å; L45-I49 VanDerWaalsContact O-CG1 3.29Å; L45-I49 WeakPolarHBondContact O-CG1 3.22Å; L45-I49 PolarHBondContact O-N 3.23Å; L45-I49 VanDerWaalsContact O-N 3.08Å; L46-I49 PolarHBondContact O-N 3.18Å; M47-I49 VanDerWaalsContact C-N 3.33Å; M47-I49 PolarHBondContact O-N 3.44Å; I49-V51 PolarHBondContact O-N 3.4Å; I49-W53 WeakPolarHBondContact O-CB 3.43Å; I49-W53 PolarHBondContact O-N 3.41Å |
| 50 | S | 57.6 | Low | 52.2 | Low | 63 Ų | 63 | 94.6 Ų | 94.6 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 178.4 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | L46 M47 W53 C54 | L46-S50 PolarHBondContact O-N 3.47Å; M47-S50 PolarHBondContact O-N 2.86Å; M47-S50 VanDerWaalsContact O-N 3.13Å; M47-S50 PolarHBondContact O-OG 3.47Å; S50-W53 WeakPolarHBondContact O-CB 3.22Å; S50-C54 PolarHBondContact O-N 2.79Å |
| 51 | V | 54.1 | Low | 52.5 | Low | 90 Ų | 90 | 92 Ų | 92 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.7 | -46.5 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | M47 S48 I49 W53 C54 C55 | M47-V51 WeakPolarHBondContact O-CG2 3.46Å; M47-V51 PolarHBondContact O-N 2.89Å; S48-V51 PolarHBondContact O-N 3.47Å; I49-V51 PolarHBondContact O-N 3.4Å; V51-W53 PolarHBondContact O-N 3.45Å; V51-C54 PolarHBondContact O-N 2.83Å; V51-C54 VanDerWaalsContact O-N 3.17Å; V51-C55 PolarHBondContact O-N 3.43Å; V51-C55 VanDerWaalsContact O-N 3.11Å; V51-C55 PolarHBondContact O-SG 2.98Å |
| 52 | L | 54.2 | Low | 52.5 | Low | 114 Ų | 114 | 94.4 Ų | 94.4 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.6 | -35.6 | 173 | -77.4 | 164.1 | 0 | 0 | 0 | 111.4 | S48 M56 | S48-L52 WeakPolarHBondContact O-CG 3.3Å; S48-L52 PolarHBondContact O-N 2.83Å; S48-L52 VanDerWaalsContact O-N 3.08Å; L52-M56 VanDerWaalsContact O-CG 3.28Å; L52-M56 WeakPolarHBondContact O-CG 3.31Å; L52-M56 PolarHBondContact O-N 3.11Å |
| 53 | W | 54.2 | Low | 52.3 | Low | 100 Ų | 100 | 101.3 Ų | 101.3 | 38% | 0.379 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.7 | -50.2 | 173.2 | 175.5 | -96.5 | 0 | 0 | 0 | 113.2 | T9 S12 I49 S50 V51 C55 M56 V57 | T9-W53 VanDerWaalsContact CB-CH2 3.47Å; T9-W53 HydrophobicContact CG2-CH2 3.61Å; T9-W53 HydrophobicContact CG2-CZ2 4.37Å; T9-W53 HydrophobicContact CG2-CZ3 3.82Å; T9-W53 WeakPolarHBondContact O-CH2 3.31Å; S12-W53 VanDerWaalsContact OG-CZ3 3.3Å; S12-W53 WeakPolarHBondContact OG-CZ3 3.48Å; I49-W53 WeakPolarHBondContact O-CB 3.43Å; I49-W53 PolarHBondContact O-N 3.41Å; S50-W53 WeakPolarHBondContact O-CB 3.22Å; V51-W53 PolarHBondContact O-N 3.45Å; W53-C55 VanDerWaalsContact C-N 3.27Å; W53-C55 PolarHBondContact O-N 3.49Å; W53-M56 PolarHBondContact O-N 3.32Å; W53-M56 VanDerWaalsContact O-N 3.1Å; W53-V57 WeakPolarHBondContact O-CG2 3.12Å |
| 54 | C | 45.4 | Very low | 52.1 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 62% | 0.622 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.1 | -38.4 | 177.2 | -84.1 | 0 | 0 | 0 | 0 | 112.6 | S50 V51 M56 V57 | S50-C54 PolarHBondContact O-N 2.79Å; V51-C54 PolarHBondContact O-N 2.83Å; V51-C54 VanDerWaalsContact O-N 3.17Å; C54-M56 VanDerWaalsContact C-N 3.3Å; C54-M56 PolarHBondContact O-N 2.81Å; C54-V57 PolarHBondContact O-N 3.05Å |
| 55 | C | 41.8 | Very low | 52.5 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 62% | 0.615 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.1 | -30.7 | 177.1 | -70.6 | 0 | 0 | 0 | 0 | 113.3 | V51 W53 V57 | V51-C55 PolarHBondContact O-N 3.43Å; V51-C55 VanDerWaalsContact O-N 3.11Å; V51-C55 PolarHBondContact O-SG 2.98Å; W53-C55 VanDerWaalsContact C-N 3.27Å; W53-C55 PolarHBondContact O-N 3.49Å; C55-V57 VanDerWaalsContact C-N 3.32Å; C55-V57 PolarHBondContact O-N 3.03Å |
| 56 | M | 44.3 | Very low | 52.5 | Low | 127 Ų | 127 | 101.4 Ų | 101.4 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.8 | -9.5 | -178.6 | -67.5 | -70.4 | 177 | 0 | 0 | 113.8 | L52 W53 C54 Q58 | L52-M56 VanDerWaalsContact O-CG 3.28Å; L52-M56 WeakPolarHBondContact O-CG 3.31Å; L52-M56 PolarHBondContact O-N 3.11Å; W53-M56 PolarHBondContact O-N 3.32Å; W53-M56 VanDerWaalsContact O-N 3.1Å; C54-M56 VanDerWaalsContact C-N 3.3Å; C54-M56 PolarHBondContact O-N 2.81Å; M56-Q58 VanDerWaalsContact C-N 3.32Å; M56-Q58 PolarHBondContact O-N 3.27Å |
| 57 | V | 42.8 | Very low | 52.7 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 56% | 0.564 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 8 | -172.2 | 171.1 | 0 | 0 | 0 | 0 | 114.1 | W53 C54 C55 I59 | W53-V57 WeakPolarHBondContact O-CG2 3.12Å; C54-V57 PolarHBondContact O-N 3.05Å; C55-V57 VanDerWaalsContact C-N 3.32Å; C55-V57 PolarHBondContact O-N 3.03Å; V57-I59 PolarHBondContact O-N 3.17Å; V57-I59 VanDerWaalsContact O-N 3.12Å |
| 58 | Q | 42.7 | Very low | 52.7 | Low | 182 Ų | 182 | 102.8 Ų | 102.8 | 85% | 0.85 | 56% | 0.555 | S | S | * | * | trans | -80.7 | 89.5 | 172.3 | -72.7 | -173.5 | 1.6 | 0 | 0 | 111.9 | M56 | M56-Q58 VanDerWaalsContact C-N 3.32Å; M56-Q58 PolarHBondContact O-N 3.27Å | ||
| 59 | I | 49 | Very low | 53 | Low | 55 Ų | 55 | 109.3 Ų | 109.3 | 28% | 0.282 | 57% | 0.571 | S | S | . | * | trans | -140.6 | 125.6 | -179.3 | -57.8 | 177.1 | 0 | 0 | 0 | 112.6 | F2 L5 V57 R64 | F2-I59 HydrophobicContact CD1-CG2 3.94Å; F2-I59 HydrophobicContact CE1-CG2 3.03Å; F2-I59 HydrophobicContact CE2-CG2 4.14Å; F2-I59 HydrophobicContact CZ-CG2 3.16Å; L5-I59 HydrophobicContact CB-CD1 4.26Å; L5-I59 HydrophobicContact CD1-CD1 3.92Å; L5-I59 HydrophobicContact CD2-CD1 4.48Å; L5-I59 HydrophobicContact CG-CD1 4.45Å; V57-I59 PolarHBondContact O-N 3.17Å; V57-I59 VanDerWaalsContact O-N 3.12Å; I59-R64 PolarHBondContact O-NE 3.5Å; I59-R64 PolarHBondContact O-NH2 2.91Å | ||
| 60 | P | 43.9 | Very low | 53.2 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | trans | -76.8 | 172.8 | -165.2 | 29.9 | -36.8 | 0 | 0 | 0 | 119 | R64 | P60-R64 VanDerWaalsContact C-NE 3.27Å; P60-R64 PolarHBondContact O-NE 3.06Å | ||
| 61 | G | 52.4 | Low | 53.3 | Low | 39 Ų | 39 | 110.2 Ų | 110.2 | 40% | 0.402 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -81.1 | -28.5 | -138 | 0 | 0 | 0 | 0 | 0 | 122.7 | R64 | G61-R64 VanDerWaalsContact CA-CZ 3.49Å; G61-R64 WeakPolarHBondContact O-CD 3.31Å; G61-R64 VanDerWaalsContact O-CG 3.32Å; G61-R64 WeakPolarHBondContact O-CG 3.26Å |
| 62 | V | 53.9 | Low | 53.8 | Low | 142 Ų | 142 | 114.7 Ų | 114.7 | 86% | 0.861 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -29.3 | -142.9 | -154.3 | 0 | 0 | 0 | 0 | 116 | R64 | V62-R64 VanDerWaalsContact C-N 3.34Š|
| 63 | K | 53.9 | Low | 54.6 | Low | 189 Ų | 189 | 113.6 Ų | 113.6 | 82% | 0.822 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 18.4 | 175.7 | -63.5 | -172.9 | -179 | -177.1 | 0 | 113.6 | ||
| 64 | R | 52.5 | Low | 55.3 | Low | 89 Ų | 89 | 112.6 Ų | 112.6 | 34% | 0.336 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76.8 | -29.1 | -165.3 | -73.1 | -174.5 | -173.1 | 165.6 | 9.4 | 115.2 | I59 P60 G61 V62 R68 | I59-R64 PolarHBondContact O-NE 3.5Å; I59-R64 PolarHBondContact O-NH2 2.91Å; P60-R64 VanDerWaalsContact C-NE 3.27Å; P60-R64 PolarHBondContact O-NE 3.06Å; G61-R64 VanDerWaalsContact CA-CZ 3.49Å; G61-R64 WeakPolarHBondContact O-CD 3.31Å; G61-R64 VanDerWaalsContact O-CG 3.32Å; G61-R64 WeakPolarHBondContact O-CG 3.26Å; V62-R64 VanDerWaalsContact C-N 3.34Å; R64-R68 WeakPolarHBondContact O-CB 3.47Å; R64-R68 WeakPolarHBondContact O-CG 3.45Å; R64-R68 PolarHBondContact O-N 3.35Å |
| 65 | T | 62.7 | Low | 56.3 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 71% | 0.712 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.5 | -46.7 | -166.7 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | R68 R69 | T65-R68 PolarHBondContact O-N 3.08Å; T65-R69 PolarHBondContact O-N 2.78Å; T65-R69 VanDerWaalsContact O-N 3.11Å |
| 66 | L | 60.1 | Low | 57.8 | Low | 122 Ų | 122 | 113.1 Ų | 113.1 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.5 | -40.9 | -177.5 | -156.5 | 144.1 | 0 | 0 | 0 | 111.4 | R69 H70 | L66-R69 PolarHBondContact O-N 3.36Å; L66-H70 PolarHBondContact O-N 3.41Å |
| 67 | I | 60.8 | Low | 59.2 | Low | 81 Ų | 81 | 111.7 Ų | 111.7 | 42% | 0.415 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -41.6 | 174.2 | -63.3 | 171.2 | 0 | 0 | 0 | 110.7 | N6 R69 H70 L71 | N6-I67 VanDerWaalsContact ND2-CG2 3.3Å; N6-I67 WeakPolarHBondContact ND2-CG2 3.41Å; I67-R69 VanDerWaalsContact C-N 3.27Å; I67-R69 PolarHBondContact O-N 3.45Å; I67-H70 PolarHBondContact O-N 3.35Å; I67-L71 VanDerWaalsContact O-CB 3.26Å; I67-L71 WeakPolarHBondContact O-CB 3.32Å; I67-L71 PolarHBondContact O-N 2.82Å |
| 68 | R | 59.4 | Low | 60.6 | Low | 142 Ų | 142 | 109.1 Ų | 109.1 | 54% | 0.536 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.1 | -36.9 | 175.1 | -84.8 | 175 | 179.4 | -169 | -2 | 112.3 | R64 T65 L71 R72 | R64-R68 WeakPolarHBondContact O-CB 3.47Å; R64-R68 WeakPolarHBondContact O-CG 3.45Å; R64-R68 PolarHBondContact O-N 3.35Å; T65-R68 PolarHBondContact O-N 3.08Å; R68-L71 PolarHBondContact O-N 2.91Å; R68-R72 WeakPolarHBondContact O-CB 3.2Å; R68-R72 WeakPolarHBondContact O-CG 3.17Å; R68-R72 PolarHBondContact O-N 3.38Å |
| 69 | R | 65.3 | Low | 62 | Low | 190 Ų | 190 | 104.9 Ų | 104.9 | 72% | 0.717 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -47.9 | 179.1 | -166.1 | 175.2 | -173.7 | 174 | 1.6 | 111.6 | T65 L66 I67 L71 R72 N73 | T65-R69 PolarHBondContact O-N 2.78Å; T65-R69 VanDerWaalsContact O-N 3.11Å; L66-R69 PolarHBondContact O-N 3.36Å; I67-R69 VanDerWaalsContact C-N 3.27Å; I67-R69 PolarHBondContact O-N 3.45Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 3.25Å; R69-R72 PolarHBondContact O-N 3.49Å; R69-N73 PolarHBondContact O-N 2.96Å |
| 70 | H | 65.9 | Low | 63.3 | Low | 129 Ų | 129 | 105 Ų | 105 | 60% | 0.597 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 175 | -75.6 | -53.4 | 0 | 0 | 0 | 112.2 | L66 I67 N73 L74 | L66-H70 PolarHBondContact O-N 3.41Å; I67-H70 PolarHBondContact O-N 3.35Å; H70-N73 PolarHBondContact O-N 2.94Å; H70-L74 WeakPolarHBondContact O-CB 3.41Å; H70-L74 PolarHBondContact O-N 3.45Å |
| 71 | L | 61.1 | Low | 64.6 | Low | 39 Ų | 39 | 103.2 Ų | 103.2 | 20% | 0.204 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -69.4 | -37.7 | -179.8 | -156.5 | 132.7 | 0 | 0 | 0 | 112.2 | N6 I10 I67 R68 R69 L74 L75 | N6-L71 HydrophobicContact CB-CD1 4.38Å; N6-L71 WeakPolarHBondContact ND2-CD1 3.11Å; N6-L71 VanDerWaalsContact OD1-CD1 3.23Å; N6-L71 WeakPolarHBondContact OD1-CD1 3.35Å; I10-L71 HydrophobicContact CD1-CD1 4.1Å; I10-L71 HydrophobicContact CD1-CG 4.4Å; I67-L71 VanDerWaalsContact O-CB 3.26Å; I67-L71 WeakPolarHBondContact O-CB 3.32Å; I67-L71 PolarHBondContact O-N 2.82Å; R68-L71 PolarHBondContact O-N 2.91Å; R69-L71 VanDerWaalsContact C-N 3.29Å; R69-L71 PolarHBondContact O-N 3.25Å; L71-L74 PolarHBondContact O-N 3.2Å; L71-L75 HydrophobicContact CD2-CD1 3.87Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 PolarHBondContact O-N 3.38Å |
| 72 | R | 62.9 | Low | 65.7 | Low | 184 Ų | 184 | 103.3 Ų | 103.3 | 69% | 0.694 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 170.5 | -83.4 | -177.5 | 175 | -177.8 | -2.4 | 111.8 | R68 R69 L74 L75 L76 | R68-R72 WeakPolarHBondContact O-CB 3.2Å; R68-R72 WeakPolarHBondContact O-CG 3.17Å; R68-R72 PolarHBondContact O-N 3.38Å; R69-R72 PolarHBondContact O-N 3.49Å; R72-L74 VanDerWaalsContact C-N 3.33Å; R72-L74 PolarHBondContact O-N 3.45Å; R72-L75 PolarHBondContact O-N 3.07Å; R72-L76 WeakPolarHBondContact O-CB 3.4Å; R72-L76 VanDerWaalsContact O-CG 3.28Å; R72-L76 WeakPolarHBondContact O-CG 3.49Å; R72-L76 PolarHBondContact O-N 2.86Å |
| 73 | N | 71.4 | Confident | 66.7 | Low | 91 Ų | 91 | 99.5 Ų | 99.5 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177 | -83.4 | 15.2 | 0 | 0 | 0 | 111.6 | R69 H70 L76 V77 | R69-N73 PolarHBondContact O-N 2.96Å; H70-N73 PolarHBondContact O-N 2.94Å; N73-L76 PolarHBondContact O-N 3.48Å; N73-V77 WeakPolarHBondContact O-CG2 3.46Å; N73-V77 PolarHBondContact O-N 2.78Å |
| 74 | L | 69.8 | Low | 67.8 | Low | 78 Ų | 78 | 94.3 Ų | 94.3 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 178 | -165.9 | 154.8 | 0 | 0 | 0 | 111.2 | I10 H70 L71 R72 L76 V77 V78 | I10-L74 HydrophobicContact CD1-CD1 4.39Å; I10-L74 HydrophobicContact CD1-CD2 4.2Å; I10-L74 HydrophobicContact CG1-CD2 4.49Å; I10-L74 HydrophobicContact CG2-CD2 3.91Å; H70-L74 WeakPolarHBondContact O-CB 3.41Å; H70-L74 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.2Å; R72-L74 VanDerWaalsContact C-N 3.33Å; R72-L74 PolarHBondContact O-N 3.45Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.06Å; L74-V77 PolarHBondContact O-N 2.8Å; L74-V78 HydrophobicContact CD2-CG2 3.83Å; L74-V78 VanDerWaalsContact O-CG2 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.27Å; L74-V78 PolarHBondContact O-N 3.39Å |
| 75 | L | 66.7 | Low | 68.8 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 45% | 0.45 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 173.4 | -100.2 | 161.7 | 0 | 0 | 0 | 112 | L71 R72 V77 V78 I79 | L71-L75 HydrophobicContact CD2-CD1 3.87Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 PolarHBondContact O-N 3.38Å; R72-L75 PolarHBondContact O-N 3.07Å; L75-V77 VanDerWaalsContact C-N 3.35Å; L75-V77 PolarHBondContact O-N 2.67Å; L75-V78 PolarHBondContact O-N 2.93Å; L75-I79 HydrophobicContact CD2-CD1 4.25Å; L75-I79 WeakPolarHBondContact O-CB 3.45Å; L75-I79 WeakPolarHBondContact O-CD1 3.21Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.41Å |
| 76 | L | 71.5 | Confident | 69.3 | Low | 109 Ų | 109 | 90.5 Ų | 90.5 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 177.9 | -75 | 169 | 0 | 0 | 0 | 111.7 | R72 N73 L74 I79 S80 | R72-L76 WeakPolarHBondContact O-CB 3.4Å; R72-L76 VanDerWaalsContact O-CG 3.28Å; R72-L76 WeakPolarHBondContact O-CG 3.49Å; R72-L76 PolarHBondContact O-N 2.86Å; N73-L76 PolarHBondContact O-N 3.48Å; L74-L76 VanDerWaalsContact C-N 3.33Å; L74-L76 PolarHBondContact O-N 3.06Å; L76-I79 PolarHBondContact O-N 3.43Å; L76-S80 WeakPolarHBondContact O-CB 3.48Å; L76-S80 PolarHBondContact O-N 3.42Å; L76-S80 PolarHBondContact O-OG 3.34Å |
| 77 | V | 74.2 | Confident | 70.1 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 58% | 0.582 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | N73 L74 L75 S80 A81 | N73-V77 WeakPolarHBondContact O-CG2 3.46Å; N73-V77 PolarHBondContact O-N 2.78Å; L74-V77 PolarHBondContact O-N 2.8Å; L75-V77 VanDerWaalsContact C-N 3.35Å; L75-V77 PolarHBondContact O-N 2.67Å; V77-S80 WeakPolarHBondContact CA-OG 3.46Å; V77-S80 PolarHBondContact O-N 3.37Å; V77-S80 PolarHBondContact O-OG 3.02Å; V77-A81 WeakPolarHBondContact O-CB 3.23Å; V77-A81 PolarHBondContact O-N 3.13Å |
| 78 | V | 71.9 | Confident | 70.8 | Confident | 39 Ų | 39 | 93 Ų | 93 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 179.4 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L17 L74 L75 S80 A81 I82 | L17-V78 HydrophobicContact CD1-CG1 4.21Å; L74-V78 HydrophobicContact CD2-CG2 3.83Å; L74-V78 VanDerWaalsContact O-CG2 3.31Å; L74-V78 WeakPolarHBondContact O-CG2 3.27Å; L74-V78 PolarHBondContact O-N 3.39Å; L75-V78 PolarHBondContact O-N 2.93Å; V78-S80 VanDerWaalsContact C-N 3.31Å; V78-S80 PolarHBondContact O-N 2.96Å; V78-A81 PolarHBondContact O-N 2.77Å; V78-I82 HydrophobicContact CG1-CD1 3.58Å; V78-I82 WeakPolarHBondContact O-CB 3.49Å; V78-I82 WeakPolarHBondContact O-CD1 3.32Å; V78-I82 WeakPolarHBondContact O-CG1 3.27Å; V78-I82 PolarHBondContact O-N 3.43Å |
| 79 | I | 73.2 | Confident | 71.4 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175.9 | -67.5 | 162.9 | 0 | 0 | 0 | 110.5 | L75 L76 I82 S83 | L75-I79 HydrophobicContact CD2-CD1 4.25Å; L75-I79 WeakPolarHBondContact O-CB 3.45Å; L75-I79 WeakPolarHBondContact O-CD1 3.21Å; L75-I79 WeakPolarHBondContact O-CG1 3.46Å; L75-I79 PolarHBondContact O-N 3.41Å; L76-I79 PolarHBondContact O-N 3.43Å; I79-I82 PolarHBondContact O-N 3.5Å; I79-S83 WeakPolarHBondContact O-CB 3.41Å; I79-S83 PolarHBondContact O-N 3.35Å; I79-S83 PolarHBondContact O-OG 2.83Å |
| 80 | S | 75.3 | Confident | 71.6 | Confident | 59 Ų | 59 | 84.6 Ų | 84.6 | 41% | 0.413 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176.2 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | L76 V77 V78 I82 S83 T84 | L76-S80 WeakPolarHBondContact O-CB 3.48Å; L76-S80 PolarHBondContact O-N 3.42Å; L76-S80 PolarHBondContact O-OG 3.34Å; V77-S80 WeakPolarHBondContact CA-OG 3.46Å; V77-S80 PolarHBondContact O-N 3.37Å; V77-S80 PolarHBondContact O-OG 3.02Å; V78-S80 VanDerWaalsContact C-N 3.31Å; V78-S80 PolarHBondContact O-N 2.96Å; S80-I82 PolarHBondContact O-N 3.08Å; S80-S83 WeakPolarHBondContact CA-OG 3.28Å; S80-S83 PolarHBondContact O-N 2.76Å; S80-S83 PolarHBondContact O-OG 3.2Å; S80-T84 WeakPolarHBondContact O-CB 3.34Å; S80-T84 VanDerWaalsContact O-CG2 3.32Å; S80-T84 WeakPolarHBondContact O-CG2 3.47Å; S80-T84 PolarHBondContact O-N 2.99Å; S80-T84 PolarHBondContact O-OG1 3.46Å |
| 81 | A | 72.6 | Confident | 71.9 | Confident | 54 Ų | 54 | 82 Ų | 82 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V77 V78 T84 G85 | V77-A81 WeakPolarHBondContact O-CB 3.23Å; V77-A81 PolarHBondContact O-N 3.13Å; V78-A81 PolarHBondContact O-N 2.77Å; A81-T84 WeakPolarHBondContact CA-OG1 3.48Å; A81-T84 PolarHBondContact O-N 3.38Å; A81-T84 PolarHBondContact O-OG1 3.3Å; A81-G85 PolarHBondContact O-N 2.96Å |
| 82 | I | 74.5 | Confident | 72.6 | Confident | 41 Ų | 41 | 82.9 Ų | 82.9 | 21% | 0.21 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.9 | -43.3 | -179.9 | -69 | 163.9 | 0 | 0 | 0 | 111.1 | L17 V78 I79 S80 T84 G85 I86 | L17-I82 HydrophobicContact CB-CD1 3.74Å; L17-I82 HydrophobicContact CD1-CD1 3.17Å; L17-I82 HydrophobicContact CD2-CD1 4.27Å; L17-I82 HydrophobicContact CD2-CG2 4.33Å; L17-I82 HydrophobicContact CG-CD1 3.87Å; V78-I82 HydrophobicContact CG1-CD1 3.58Å; V78-I82 WeakPolarHBondContact O-CB 3.49Å; V78-I82 WeakPolarHBondContact O-CD1 3.32Å; V78-I82 WeakPolarHBondContact O-CG1 3.27Å; V78-I82 PolarHBondContact O-N 3.43Å; I79-I82 PolarHBondContact O-N 3.5Å; S80-I82 PolarHBondContact O-N 3.08Å; I82-T84 VanDerWaalsContact C-N 3.32Å; I82-T84 PolarHBondContact O-N 3.21Å; I82-G85 PolarHBondContact O-N 3.07Å; I82-I86 HydrophobicContact CG2-CD1 3.57Å; I82-I86 HydrophobicContact CG2-CG1 4.2Å; I82-I86 WeakPolarHBondContact O-CB 3.29Å; I82-I86 VanDerWaalsContact O-CG1 3.22Å; I82-I86 WeakPolarHBondContact O-CG1 3.42Å; I82-I86 PolarHBondContact O-N 3.02Å |
| 83 | S | 75.2 | Confident | 72.7 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 43% | 0.434 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.5 | 54.5 | 0 | 0 | 0 | 0 | 111.8 | I79 S80 I86 F87 | I79-S83 WeakPolarHBondContact O-CB 3.41Å; I79-S83 PolarHBondContact O-N 3.35Å; I79-S83 PolarHBondContact O-OG 2.83Å; S80-S83 WeakPolarHBondContact CA-OG 3.28Å; S80-S83 PolarHBondContact O-N 2.76Å; S80-S83 PolarHBondContact O-OG 3.2Å; S83-I86 PolarHBondContact O-N 3.23Å; S83-F87 VanDerWaalsContact O-CB 3.3Å; S83-F87 WeakPolarHBondContact O-CB 3.33Å; S83-F87 PolarHBondContact O-N 2.92Å |
| 84 | T | 75.8 | Confident | 72.2 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 173.1 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | S80 A81 I82 F87 L88 | S80-T84 WeakPolarHBondContact O-CB 3.34Å; S80-T84 VanDerWaalsContact O-CG2 3.32Å; S80-T84 WeakPolarHBondContact O-CG2 3.47Å; S80-T84 PolarHBondContact O-N 2.99Å; S80-T84 PolarHBondContact O-OG1 3.46Å; A81-T84 WeakPolarHBondContact CA-OG1 3.48Å; A81-T84 PolarHBondContact O-N 3.38Å; A81-T84 PolarHBondContact O-OG1 3.3Å; I82-T84 VanDerWaalsContact C-N 3.32Å; I82-T84 PolarHBondContact O-N 3.21Å; T84-F87 PolarHBondContact O-N 3.18Å; T84-L88 WeakPolarHBondContact O-CB 3.3Å; T84-L88 WeakPolarHBondContact O-CG 2.75Å; T84-L88 PolarHBondContact O-N 3.08Å |
| 85 | G | 75.6 | Confident | 71.6 | Confident | 34 Ų | 34 | 84.3 Ų | 84.3 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A81 I82 F87 L88 W89 | A81-G85 PolarHBondContact O-N 2.96Å; I82-G85 PolarHBondContact O-N 3.07Å; G85-F87 VanDerWaalsContact C-N 3.33Å; G85-F87 PolarHBondContact O-N 3.06Å; G85-L88 PolarHBondContact O-N 3.31Å; G85-W89 WeakPolarHBondContact O-CB 3.48Å; G85-W89 PolarHBondContact O-N 3.46Å |
| 86 | I | 73.1 | Confident | 71 | Confident | 91 Ų | 91 | 83 Ų | 83 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 175.3 | -65.5 | 164.4 | 0 | 0 | 0 | 110.5 | I82 S83 W89 A90 | I82-I86 HydrophobicContact CG2-CD1 3.57Å; I82-I86 HydrophobicContact CG2-CG1 4.2Å; I82-I86 WeakPolarHBondContact O-CB 3.29Å; I82-I86 VanDerWaalsContact O-CG1 3.22Å; I82-I86 WeakPolarHBondContact O-CG1 3.42Å; I82-I86 PolarHBondContact O-N 3.02Å; S83-I86 PolarHBondContact O-N 3.23Å; I86-W89 PolarHBondContact O-N 3.42Å; I86-A90 VanDerWaalsContact O-CB 3.27Å; I86-A90 WeakPolarHBondContact O-CB 3.35Å; I86-A90 PolarHBondContact O-N 3.41Å |
| 87 | F | 75.2 | Confident | 70.1 | Confident | 140 Ų | 140 | 81.7 Ų | 81.7 | 61% | 0.614 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.1 | -46.8 | 178.7 | -168.9 | -102 | 0 | 0 | 0 | 111.9 | S83 T84 G85 W89 A90 L91 | S83-F87 VanDerWaalsContact O-CB 3.3Å; S83-F87 WeakPolarHBondContact O-CB 3.33Å; S83-F87 PolarHBondContact O-N 2.92Å; T84-F87 PolarHBondContact O-N 3.18Å; G85-F87 VanDerWaalsContact C-N 3.33Å; G85-F87 PolarHBondContact O-N 3.06Å; F87-W89 VanDerWaalsContact C-N 3.3Å; F87-W89 PolarHBondContact O-N 3.21Å; F87-A90 PolarHBondContact O-N 3.35Å; F87-L91 HydrophobicContact CD1-CD1 3.73Å; F87-L91 HydrophobicContact CD1-CG 4.47Å; F87-L91 HydrophobicContact CE1-CD1 3.53Å; F87-L91 HydrophobicContact CE1-CG 4.3Å; F87-L91 HydrophobicContact CZ-CD1 4.27Å; F87-L91 WeakPolarHBondContact O-CB 3.33Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.5Å; F87-L91 PolarHBondContact O-N 3.48Å |
| 88 | L | 76.7 | Confident | 68.8 | Low | 116 Ų | 116 | 80.3 Ų | 80.3 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 173.5 | -73.4 | 171 | 0 | 0 | 0 | 111.5 | T84 G85 L91 A92 | T84-L88 WeakPolarHBondContact O-CB 3.3Å; T84-L88 WeakPolarHBondContact O-CG 2.75Å; T84-L88 PolarHBondContact O-N 3.08Å; G85-L88 PolarHBondContact O-N 3.31Å; L88-L91 PolarHBondContact O-N 3.21Å; L88-A92 VanDerWaalsContact O-CB 3.27Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 2.87Å |
| 89 | W | 72.7 | Confident | 67.7 | Low | 105 Ų | 105 | 84 Ų | 84 | 40% | 0.398 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 177.1 | -174.1 | -94.1 | 0 | 0 | 0 | 112.2 | F21 G85 I86 F87 L91 A92 C93 | F21-W89 HydrophobicContact CE2-CD2 4.24Å; F21-W89 HydrophobicContact CE2-CG 4.2Å; F21-W89 HydrophobicContact CZ-CD2 4.12Å; F21-W89 HydrophobicContact CZ-CE3 4.27Å; G85-W89 WeakPolarHBondContact O-CB 3.48Å; G85-W89 PolarHBondContact O-N 3.46Å; I86-W89 PolarHBondContact O-N 3.42Å; F87-W89 VanDerWaalsContact C-N 3.3Å; F87-W89 PolarHBondContact O-N 3.21Å; W89-L91 VanDerWaalsContact C-N 3.29Å; W89-L91 PolarHBondContact O-N 3.38Å; W89-A92 CarbonylContact O-C 3.44Å; W89-A92 WeakPolarHBondContact O-CA 3.12Å; W89-A92 WeakPolarHBondContact O-CB 3.34Å; W89-A92 PolarHBondContact O-N 3.22Å; W89-C93 PolarHBondContact NE1-SG 3.38Å; W89-C93 VanDerWaalsContact NE1-SG 3.41Å; W89-C93 PolarHBondContact O-N 3.41Å; W89-C93 PolarHBondContact O-SG 3.4Å; W89-C93 VanDerWaalsContact O-SG 3.42Å |
| 90 | A | 69.3 | Low | 66.6 | Low | 50 Ų | 50 | 84.4 Ų | 84.4 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I86 F87 C93 K94 | I86-A90 VanDerWaalsContact O-CB 3.27Å; I86-A90 WeakPolarHBondContact O-CB 3.35Å; I86-A90 PolarHBondContact O-N 3.41Å; F87-A90 PolarHBondContact O-N 3.35Å; A90-C93 PolarHBondContact O-N 3.01Å; A90-K94 PolarHBondContact O-N 3.07Å |
| 91 | L | 71.2 | Confident | 65.2 | Low | 74 Ų | 74 | 83.7 Ų | 83.7 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 170.7 | -74.2 | 170.7 | 0 | 0 | 0 | 111.3 | F87 L88 W89 C93 K94 W95 | F87-L91 HydrophobicContact CD1-CD1 3.73Å; F87-L91 HydrophobicContact CD1-CG 4.47Å; F87-L91 HydrophobicContact CE1-CD1 3.53Å; F87-L91 HydrophobicContact CE1-CG 4.3Å; F87-L91 HydrophobicContact CZ-CD1 4.27Å; F87-L91 WeakPolarHBondContact O-CB 3.33Å; F87-L91 VanDerWaalsContact O-CG 3.31Å; F87-L91 WeakPolarHBondContact O-CG 3.5Å; F87-L91 PolarHBondContact O-N 3.48Å; L88-L91 PolarHBondContact O-N 3.21Å; W89-L91 VanDerWaalsContact C-N 3.29Å; W89-L91 PolarHBondContact O-N 3.38Å; L91-C93 VanDerWaalsContact C-N 3.28Å; L91-C93 PolarHBondContact O-N 2.92Å; L91-K94 PolarHBondContact O-N 3.32Å; L91-W95 PolarHBondContact O-N 3.43Å |
| 92 | A | 74.9 | Confident | 63.9 | Low | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -24.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L88 W89 P96 | L88-A92 VanDerWaalsContact O-CB 3.27Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 2.87Å; W89-A92 CarbonylContact O-C 3.44Å; W89-A92 WeakPolarHBondContact O-CA 3.12Å; W89-A92 WeakPolarHBondContact O-CB 3.34Å; W89-A92 PolarHBondContact O-N 3.22Å; A92-P96 WeakPolarHBondContact O-CD 3.26Å; A92-P96 WeakPolarHBondContact O-CG 3.44Å |
| 93 | C | 65.1 | Low | 62.7 | Low | 45 Ų | 45 | 91 Ų | 91 | 30% | 0.304 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -79.4 | -35 | 170.7 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | W89 A90 L91 P96 S97 | W89-C93 PolarHBondContact NE1-SG 3.38Å; W89-C93 VanDerWaalsContact NE1-SG 3.41Å; W89-C93 PolarHBondContact O-N 3.41Å; W89-C93 PolarHBondContact O-SG 3.4Å; W89-C93 VanDerWaalsContact O-SG 3.42Å; A90-C93 PolarHBondContact O-N 3.01Å; L91-C93 VanDerWaalsContact C-N 3.28Å; L91-C93 PolarHBondContact O-N 2.92Å; C93-P96 WeakPolarHBondContact O-CD 3.36Å; C93-P96 WeakPolarHBondContact O-CG 3.39Å; C93-S97 PolarHBondContact O-OG 2.95Å |
| 94 | K | 62.5 | Low | 61.2 | Low | 162 Ų | 162 | 93.8 Ų | 93.8 | 70% | 0.704 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.1 | -34.5 | 175.7 | -92.4 | -174.7 | 172.5 | 175 | 0 | 113.4 | A90 L91 S97 A98 | A90-K94 PolarHBondContact O-N 3.07Å; L91-K94 PolarHBondContact O-N 3.32Å; K94-S97 PolarHBondContact O-N 3.13Å; K94-A98 PolarHBondContact O-N 3.14Å |
| 95 | W | 56.7 | Low | 60 | Low | 177 Ų | 177 | 96.5 Ų | 96.5 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | -179.3 | -99.8 | 68.7 | 0 | 0 | 0 | 115.4 | L91 S97 A98 L99 | L91-W95 PolarHBondContact O-N 3.43Å; W95-S97 VanDerWaalsContact C-N 3.32Å; W95-S97 PolarHBondContact O-N 3.36Å; W95-A98 PolarHBondContact O-N 2.92Å; W95-L99 HydrophobicContact CE3-CD1 4.09Å; W95-L99 PolarHBondContact O-N 3.11Å |
| 96 | P | 54 | Low | 58.5 | Low | 57 Ų | 57 | 102 Ų | 102 | 37% | 0.37 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -36.7 | 175.3 | 24.6 | -32.7 | 0 | 0 | 0 | 110.5 | A92 C93 A98 L99 I100 | A92-P96 WeakPolarHBondContact O-CD 3.26Å; A92-P96 WeakPolarHBondContact O-CG 3.44Å; C93-P96 WeakPolarHBondContact O-CD 3.36Å; C93-P96 WeakPolarHBondContact O-CG 3.39Å; P96-A98 VanDerWaalsContact C-N 3.3Å; P96-A98 PolarHBondContact O-N 2.75Å; P96-L99 PolarHBondContact O-N 3.14Å; P96-I100 HydrophobicContact CB-CD1 4.17Å; P96-I100 VanDerWaalsContact O-CB 3.26Å; P96-I100 WeakPolarHBondContact O-CB 3.45Å; P96-I100 WeakPolarHBondContact O-CD1 2.87Å; P96-I100 PolarHBondContact O-N 3.05Å |
| 97 | S | 51.7 | Low | 57.1 | Low | 82 Ų | 82 | 106.4 Ų | 106.4 | 57% | 0.573 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -32 | 174.7 | -52.6 | 0 | 0 | 0 | 0 | 113 | C93 K94 W95 G101 | C93-S97 PolarHBondContact O-OG 2.95Å; K94-S97 PolarHBondContact O-N 3.13Å; W95-S97 VanDerWaalsContact C-N 3.32Å; W95-S97 PolarHBondContact O-N 3.36Å; S97-G101 WeakPolarHBondContact O-CA 3.24Å; S97-G101 PolarHBondContact O-N 3.42Å |
| 98 | A | 48.4 | Very low | 55.8 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.8 | -32.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K94 W95 P96 | K94-A98 PolarHBondContact O-N 3.14Å; W95-A98 PolarHBondContact O-N 2.92Å; P96-A98 VanDerWaalsContact C-N 3.3Å; P96-A98 PolarHBondContact O-N 2.75Å |
| 99 | L | 47.5 | Very low | 54.2 | Low | 117 Ų | 117 | 103.7 Ų | 103.7 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -80.1 | -42.8 | 176.1 | -81.8 | 156.1 | 0 | 0 | 0 | 112.5 | W95 P96 K102 A103 | W95-L99 HydrophobicContact CE3-CD1 4.09Å; W95-L99 PolarHBondContact O-N 3.11Å; P96-L99 PolarHBondContact O-N 3.14Å; L99-K102 PolarHBondContact O-N 3.48Å; L99-A103 PolarHBondContact O-N 3.37Å; L99-A103 VanDerWaalsContact O-N 3.14Å |
| 100 | I | 50.7 | Low | 52.9 | Low | 101 Ų | 101 | 106.9 Ų | 106.9 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.3 | -36.3 | 176.5 | -84.2 | 130.7 | 0 | 0 | 0 | 111.9 | P96 K102 A103 N104 | P96-I100 HydrophobicContact CB-CD1 4.17Å; P96-I100 VanDerWaalsContact O-CB 3.26Å; P96-I100 WeakPolarHBondContact O-CB 3.45Å; P96-I100 WeakPolarHBondContact O-CD1 2.87Å; P96-I100 PolarHBondContact O-N 3.05Å; I100-K102 PolarHBondContact O-N 3.18Å; I100-A103 PolarHBondContact O-N 3.41Å; I100-A103 VanDerWaalsContact O-N 3.11Å; I100-N104 PolarHBondContact O-N 2.75Å |
| 101 | G | 46.2 | Very low | 51.5 | Low | 43 Ų | 43 | 109.2 Ų | 109.2 | 44% | 0.443 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.6 | -29.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S97 | S97-G101 WeakPolarHBondContact O-CA 3.24Å; S97-G101 PolarHBondContact O-N 3.42Å |
| 102 | K | 45.9 | Very low | 50.1 | Low | 179 Ų | 179 | 111.7 Ų | 111.7 | 78% | 0.778 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -81.2 | -28.6 | 171.8 | -103.3 | -178.4 | 171.5 | 176.9 | 0 | 113.5 | L99 I100 | L99-K102 PolarHBondContact O-N 3.48Å; I100-K102 PolarHBondContact O-N 3.18Å |
| 103 | A | 48.3 | Very low | 48.5 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.8 | -31.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L99 I100 L105 | L99-A103 PolarHBondContact O-N 3.37Å; L99-A103 VanDerWaalsContact O-N 3.14Å; I100-A103 PolarHBondContact O-N 3.41Å; I100-A103 VanDerWaalsContact O-N 3.11Å; A103-L105 PolarHBondContact O-N 2.76Å |
| 104 | N | 44.6 | Very low | 47.7 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -82.4 | -0.3 | -175.8 | -92.5 | -23.7 | 0 | 0 | 0 | 115.9 | I100 N106 | I100-N104 PolarHBondContact O-N 2.75Å; N104-N106 PolarHBondContact O-N 3.22Å |
| 105 | L | 49.6 | Very low | 46.9 | Very low | 137 Ų | 137 | 119.3 Ų | 119.3 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -74.4 | -8.2 | 172.8 | -104.6 | 115.6 | 0 | 0 | 0 | 114.1 | A103 | A103-L105 PolarHBondContact O-N 2.76Š|
| 106 | N | 44.5 | Very low | 46.4 | Very low | 150 Ų | 150 | 116.1 Ų | 116.1 | 80% | 0.802 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -107.4 | 9.8 | -175.1 | -76.7 | -0 | 0 | 0 | 0 | 115.9 | N104 | N104-N106 PolarHBondContact O-N 3.22Š|
| 107 | Y | 44.3 | Very low | 45.9 | Very low | 184 Ų | 184 | 119.5 Ų | 119.5 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | -114.1 | 69.6 | 170.4 | -159.3 | -96.4 | 0 | 0 | 0 | 111.1 | P109 | Y107-P109 HydrophobicContact CD1-CG 4.22Å; Y107-P109 HydrophobicContact CE1-CB 3.86Å; Y107-P109 HydrophobicContact CE1-CG 3.81Å; Y107-P109 VanDerWaalsContact O-CD 3.22Å; Y107-P109 WeakPolarHBondContact O-CD 3.22Å | ||
| 108 | V | 46.8 | Very low | 45.6 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 70% | 0.697 | 70% | 0.697 | S | S | * | * | trans | -84.1 | 104.1 | 150.8 | -178.2 | 0 | 0 | 0 | 0 | 105.1 | F110 | V108-F110 PolarHBondContact O-N 2.95Š| ||
| 109 | P | 44.4 | Very low | 45.4 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | trans | -65.2 | 106.7 | 166 | 26.7 | -29 | 0 | 0 | 0 | 106.3 | Y107 A111 | Y107-P109 HydrophobicContact CD1-CG 4.22Å; Y107-P109 HydrophobicContact CE1-CB 3.86Å; Y107-P109 HydrophobicContact CE1-CG 3.81Å; Y107-P109 VanDerWaalsContact O-CD 3.22Å; Y107-P109 WeakPolarHBondContact O-CD 3.22Å; P109-A111 PolarHBondContact O-N 2.95Å | ||
| 110 | F | 43.9 | Very low | 45.2 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -53.1 | 107.2 | 170.7 | -119.8 | -93.7 | 0 | 0 | 0 | 107.6 | V108 N112 | V108-F110 PolarHBondContact O-N 2.95Å; F110-N112 VanDerWaalsContact C-N 3.28Å; F110-N112 WeakPolarHBondContact CD1-OD1 3.47Å; F110-N112 PolarHBondContact O-N 2.98Å | ||
| 111 | A | 39.8 | Very low | 44.8 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -67 | 91.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P109 | P109-A111 PolarHBondContact O-N 2.95Š| ||
| 112 | N | 41.6 | Very low | 44.7 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | trans | -100.6 | 102.8 | 165.1 | -86.1 | -2.8 | 0 | 0 | 0 | 108.1 | F110 | F110-N112 VanDerWaalsContact C-N 3.28Å; F110-N112 WeakPolarHBondContact CD1-OD1 3.47Å; F110-N112 PolarHBondContact O-N 2.98Å | ||
| 113 | S | 42.8 | Very low | 44.6 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 100% | 1.294 | 75% | 0.749 | S | S | * | * | trans | 30.9 | 0 | 135.7 | 64.6 | 0 | 0 | 0 | 0 | 118 |
Retrieved 113 of 113 residues in 32.1 ms
(Link to these results)