| 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 | 77.9 | Confident | 92.5 | Very high | 106 Ų | 106 | 64.5 Ų | 64.5 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | 0 | 134.8 | 0 | -69.3 | 173 | 68.4 | 0 | 0 | 107.7 | E5 V6 S9 V68 R70 | M1-E5 WeakPolarHBondContact CA-OE2 3.22Å; M1-E5 HydrophobicContact CB-CB 4.35Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 HydrophobicContact CE-CB 4.16Å; M1-E5 WeakPolarHBondContact CG-OE2 3.3Å; M1-V6 HydrophobicContact CB-CG2 4.23Å; M1-V6 HydrophobicContact CE-CG2 4.18Å; M1-S9 WeakPolarHBondContact CE-OG 3.43Å; M1-V68 HydrophobicContact CE-CG2 4.3Å; M1-V68 HydrophobicContact SD-CG1 4.26Å; M1-R70 VanDerWaalsContact CA-NH2 3.35Å | |||
| 2 | D | 88.3 | Confident | 92.9 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | trans | -83.5 | 168.8 | 171.7 | 62.6 | 5.3 | 0 | 0 | 0 | 110.2 | A4 E5 V6 H274 | D2-A4 PolarHBondContact O-N 2.88Å; D2-E5 PolarHBondContact O-N 3.39Å; D2-E5 WeakPolarHBondContact OD1-CB 3.39Å; D2-E5 WeakPolarHBondContact OD1-CG 3.27Å; D2-E5 PolarHBondContact OD1-N 3.46Å; D2-V6 WeakPolarHBondContact O-CG2 3.42Å; D2-V6 PolarHBondContact O-N 3.07Å; D2-V6 VanDerWaalsContact O-N 3.14Å; D2-H274 IonicContact OD1-NE2 3.87Å; D2-H274 IonicContact OD2-CE1 2.75Å; D2-H274 IonicContact OD2-NE2 3.11Å; D2-H274 PolarHBondContact OD2-NE2 3.41Å | ||
| 3 | T | 91.9 | Very high | 93.3 | Very high | 112 Ų | 112 | 58.9 Ų | 58.9 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58 | -35.4 | -179.2 | -50.8 | 0 | 0 | 0 | 0 | 112 | V6 I7 | T3-V6 PolarHBondContact O-N 2.96Å; T3-I7 HydrophobicContact CG2-CD1 4.13Å; T3-I7 VanDerWaalsContact O-CG1 3.3Å; T3-I7 WeakPolarHBondContact O-CG1 3.48Å; T3-I7 PolarHBondContact O-N 3.43Å |
| 4 | A | 92.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2 V6 I7 L8 | D2-A4 PolarHBondContact O-N 2.88Å; A4-V6 VanDerWaalsContact C-N 3.29Å; A4-V6 PolarHBondContact O-N 3.17Å; A4-I7 PolarHBondContact O-N 2.94Å; A4-L8 WeakPolarHBondContact O-CB 3.27Å; A4-L8 VanDerWaalsContact O-CG 3.24Å; A4-L8 WeakPolarHBondContact O-CG 3.33Å; A4-L8 PolarHBondContact O-N 3.47Å |
| 5 | E | 91.7 | Very high | 93.9 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 175.3 | -76.5 | 170.4 | -168.8 | 0 | 0 | 112.6 | M1 D2 L8 S9 L67 R70 | M1-E5 WeakPolarHBondContact CA-OE2 3.22Å; M1-E5 HydrophobicContact CB-CB 4.35Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 HydrophobicContact CE-CB 4.16Å; M1-E5 WeakPolarHBondContact CG-OE2 3.3Å; D2-E5 PolarHBondContact O-N 3.39Å; D2-E5 WeakPolarHBondContact OD1-CB 3.39Å; D2-E5 WeakPolarHBondContact OD1-CG 3.27Å; D2-E5 PolarHBondContact OD1-N 3.46Å; E5-L8 PolarHBondContact O-N 2.76Å; E5-S9 VanDerWaalsContact O-CB 3.31Å; E5-S9 WeakPolarHBondContact O-CB 3.46Å; E5-S9 PolarHBondContact O-N 3.48Å; E5-S9 PolarHBondContact O-OG 3.04Å; E5-L67 HydrophobicContact CB-CD1 4.46Å; E5-L67 HydrophobicContact CG-CD1 4.13Å; E5-R70 IonicContact OE1-CZ 3.8Å; E5-R70 VanDerWaalsContact OE1-CZ 3.23Å; E5-R70 IonicContact OE1-NE 3.23Å; E5-R70 PolarHBondContact OE1-NE 2.85Å; E5-R70 IonicContact OE1-NH2 3.28Å; E5-R70 PolarHBondContact OE1-NH2 2.89Å; E5-R70 IonicContact OE2-CZ 3.01Å; E5-R70 IonicContact OE2-NE 3.21Å; E5-R70 PolarHBondContact OE2-NE 3.35Å; E5-R70 IonicContact OE2-NH2 2.97Å; E5-R70 PolarHBondContact OE2-NH2 3.02Å |
| 6 | V | 94.4 | Very high | 94.2 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 173.9 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | M1 D2 T3 A4 L8 S9 V10 | M1-V6 HydrophobicContact CB-CG2 4.23Å; M1-V6 HydrophobicContact CE-CG2 4.18Å; D2-V6 WeakPolarHBondContact O-CG2 3.42Å; D2-V6 PolarHBondContact O-N 3.07Å; D2-V6 VanDerWaalsContact O-N 3.14Å; T3-V6 PolarHBondContact O-N 2.96Å; A4-V6 VanDerWaalsContact C-N 3.29Å; A4-V6 PolarHBondContact O-N 3.17Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 2.86Å; V6-S9 PolarHBondContact O-N 2.88Å; V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 3.29Å |
| 7 | I | 96 | Very high | 94.4 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 56% | 0.564 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.5 | -44.5 | 176.5 | -68.2 | 165.7 | 0 | 0 | 0 | 110.7 | T3 A4 V10 L11 | T3-I7 HydrophobicContact CG2-CD1 4.13Å; T3-I7 VanDerWaalsContact O-CG1 3.3Å; T3-I7 WeakPolarHBondContact O-CG1 3.48Å; T3-I7 PolarHBondContact O-N 3.43Å; A4-I7 PolarHBondContact O-N 2.94Å; I7-V10 PolarHBondContact O-N 3.02Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 2.93Å |
| 8 | L | 95.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 178.4 | -68.1 | 168.6 | 0 | 0 | 0 | 112 | A4 E5 V6 L11 V12 L67 H274 I277 V278 | A4-L8 WeakPolarHBondContact O-CB 3.27Å; A4-L8 VanDerWaalsContact O-CG 3.24Å; A4-L8 WeakPolarHBondContact O-CG 3.33Å; A4-L8 PolarHBondContact O-N 3.47Å; E5-L8 PolarHBondContact O-N 2.76Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 2.86Å; L8-L11 WeakPolarHBondContact O-CB 3.39Å; L8-L11 PolarHBondContact O-N 2.84Å; L8-V12 WeakPolarHBondContact O-CG2 3.21Å; L8-V12 PolarHBondContact O-N 3.48Å; L8-L67 HydrophobicContact CB-CD2 4Å; L8-H274 HydrophobicContact CD1-CB 4.31Å; L8-I277 HydrophobicContact CB-CG2 4.12Å; L8-I277 HydrophobicContact CD1-CB 4.05Å; L8-I277 HydrophobicContact CD1-CD1 4.18Å; L8-I277 HydrophobicContact CD1-CG2 3.89Å; L8-I277 HydrophobicContact CD2-CG2 4.22Å; L8-I277 HydrophobicContact CG-CG2 4.29Å; L8-V278 HydrophobicContact CD2-CG2 3.57Å |
| 9 | S | 95.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 175.8 | -60 | 0 | 0 | 0 | 0 | 111.1 | M1 E5 V6 L11 V12 V13 L67 | M1-S9 WeakPolarHBondContact CE-OG 3.43Å; E5-S9 VanDerWaalsContact O-CB 3.31Å; E5-S9 WeakPolarHBondContact O-CB 3.46Å; E5-S9 PolarHBondContact O-N 3.48Å; E5-S9 PolarHBondContact O-OG 3.04Å; V6-S9 PolarHBondContact O-N 2.88Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 3.25Å; S9-V12 PolarHBondContact O-N 3.25Å; S9-V13 WeakPolarHBondContact O-CG2 3.3Å; S9-V13 PolarHBondContact O-N 3.21Å; S9-L67 VanDerWaalsContact OG-CD2 3.27Å; S9-L67 WeakPolarHBondContact OG-CD2 3.37Å |
| 10 | V | 96.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 53% | 0.533 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.6 | V6 I7 V12 V13 V14 | V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 3.29Å; I7-V10 PolarHBondContact O-N 3.02Å; V10-V12 PolarHBondContact O-N 3.46Å; V10-V13 PolarHBondContact O-N 3.48Å; V10-V14 HydrophobicContact CG1-CG2 4.47Å; V10-V14 WeakPolarHBondContact O-CG2 3.28Å; V10-V14 PolarHBondContact O-N 2.89Å |
| 11 | L | 96.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 57 Ų | 57 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.8 | 178.8 | 63 | 0 | 0 | 0 | 111.8 | I7 L8 S9 V13 V14 I15 C281 | I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 2.93Å; L8-L11 WeakPolarHBondContact O-CB 3.39Å; L8-L11 PolarHBondContact O-N 2.84Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 3.25Å; L11-V13 VanDerWaalsContact C-N 3.35Å; L11-V13 PolarHBondContact O-N 2.97Å; L11-V14 PolarHBondContact O-N 3.49Å; L11-I15 HydrophobicContact CD1-CD1 4.18Å; L11-I15 HydrophobicContact CD1-CG1 4.44Å; L11-I15 HydrophobicContact CG-CD1 3.94Å; L11-I15 VanDerWaalsContact O-CG1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.08Å; L11-I15 PolarHBondContact O-N 3.42Å; L11-C281 HydrophobicContact CD2-CB 3.99Å |
| 12 | V | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L8 S9 V10 V14 I15 I16 L64 C281 | L8-V12 WeakPolarHBondContact O-CG2 3.21Å; L8-V12 PolarHBondContact O-N 3.48Å; S9-V12 PolarHBondContact O-N 3.25Å; V10-V12 PolarHBondContact O-N 3.46Å; V12-V14 PolarHBondContact O-N 3.32Å; V12-I15 PolarHBondContact O-N 3.45Å; V12-I16 HydrophobicContact CG1-CD1 3.88Å; V12-I16 HydrophobicContact CG1-CG1 4.41Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.32Å; V12-I16 PolarHBondContact O-N 2.88Å; V12-L64 HydrophobicContact CB-CD1 4.42Å; V12-L64 HydrophobicContact CG1-CB 4.03Å; V12-L64 HydrophobicContact CG1-CD1 4.34Å; V12-C281 VanDerWaalsContact CG2-SG 3.56Å |
| 13 | V | 98.1 | Very high | 96.1 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | S9 V10 L11 I15 I16 I17 L64 | S9-V13 WeakPolarHBondContact O-CG2 3.3Å; S9-V13 PolarHBondContact O-N 3.21Å; V10-V13 PolarHBondContact O-N 3.48Å; L11-V13 VanDerWaalsContact C-N 3.35Å; L11-V13 PolarHBondContact O-N 2.97Å; V13-I15 VanDerWaalsContact C-N 3.35Å; V13-I15 PolarHBondContact O-N 3.45Å; V13-I16 PolarHBondContact O-N 2.97Å; V13-I17 HydrophobicContact CG1-CD1 3.85Å; V13-I17 WeakPolarHBondContact O-CG1 3.25Å; V13-I17 PolarHBondContact O-N 3.19Å; V13-L64 HydrophobicContact CG2-CD1 4.02Å; V13-L64 HydrophobicContact CG2-CD2 3.63Å; V13-L64 HydrophobicContact CG2-CG 4.5Å |
| 14 | V | 98.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | V10 L11 V12 I16 I17 V18 | V10-V14 HydrophobicContact CG1-CG2 4.47Å; V10-V14 WeakPolarHBondContact O-CG2 3.28Å; V10-V14 PolarHBondContact O-N 2.89Å; L11-V14 PolarHBondContact O-N 3.49Å; V12-V14 PolarHBondContact O-N 3.32Å; V14-I16 VanDerWaalsContact C-N 3.34Å; V14-I16 PolarHBondContact O-N 2.88Å; V14-I17 PolarHBondContact O-N 2.89Å; V14-V18 HydrophobicContact CG1-CG2 4.25Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.03Å |
| 15 | I | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.046 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 177.3 | -68.3 | 163.4 | 0 | 0 | 0 | 110.8 | L11 V12 V13 S19 M60 C281 S285 | L11-I15 HydrophobicContact CD1-CD1 4.18Å; L11-I15 HydrophobicContact CD1-CG1 4.44Å; L11-I15 HydrophobicContact CG-CD1 3.94Å; L11-I15 VanDerWaalsContact O-CG1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.08Å; L11-I15 PolarHBondContact O-N 3.42Å; V12-I15 PolarHBondContact O-N 3.45Å; V13-I15 VanDerWaalsContact C-N 3.35Å; V13-I15 PolarHBondContact O-N 3.45Å; I15-S19 WeakPolarHBondContact O-CB 3.5Å; I15-S19 PolarHBondContact O-N 3.34Å; I15-M60 HydrophobicContact CG2-CE 4.4Å; I15-M60 HydrophobicContact CG2-SD 4.08Å; I15-C281 HydrophobicContact CD1-CB 3.98Å; I15-S285 WeakPolarHBondContact CD1-OG 3.45Å |
| 16 | I | 98.3 | Very high | 96.5 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -52.9 | 176.9 | -70.6 | 166 | 0 | 0 | 0 | 110.2 | V12 V13 V14 V18 S19 L20 T56 M60 L64 | V12-I16 HydrophobicContact CG1-CD1 3.88Å; V12-I16 HydrophobicContact CG1-CG1 4.41Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.32Å; V12-I16 PolarHBondContact O-N 2.88Å; V13-I16 PolarHBondContact O-N 2.97Å; V14-I16 VanDerWaalsContact C-N 3.34Å; V14-I16 PolarHBondContact O-N 2.88Å; I16-V18 PolarHBondContact O-N 3.5Å; I16-S19 PolarHBondContact O-N 2.87Å; I16-L20 HydrophobicContact CG2-CD1 3.86Å; I16-L20 HydrophobicContact CG2-CG 4.36Å; I16-L20 WeakPolarHBondContact O-CB 3.3Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 2.96Å; I16-T56 HydrophobicContact CB-CG2 4.44Å; I16-T56 HydrophobicContact CG2-CG2 4.1Å; I16-M60 HydrophobicContact CD1-CB 3.85Å; I16-M60 HydrophobicContact CG1-CB 3.51Å; I16-M60 HydrophobicContact CG1-CG 4.36Å; I16-M60 HydrophobicContact CG1-SD 3.98Å; I16-L64 HydrophobicContact CD1-CD2 4.48Å |
| 17 | I | 98.2 | Very high | 96.5 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 45% | 0.446 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -50.9 | -177.3 | -67.2 | 167.9 | 0 | 0 | 0 | 110.5 | V13 V14 S19 L20 L21 | V13-I17 HydrophobicContact CG1-CD1 3.85Å; V13-I17 WeakPolarHBondContact O-CG1 3.25Å; V13-I17 PolarHBondContact O-N 3.19Å; V14-I17 PolarHBondContact O-N 2.89Å; I17-S19 PolarHBondContact O-N 3.35Å; I17-L20 PolarHBondContact O-N 3.15Å; I17-L21 HydrophobicContact CG2-CD1 3.7Å; I17-L21 HydrophobicContact CG2-CG 4.32Å; I17-L21 WeakPolarHBondContact O-CB 3.43Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.18Å; I17-L21 PolarHBondContact O-N 3.1Å |
| 18 | V | 97.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 45 Ų | 45 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -42.6 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | V14 I16 S22 A288 F292 | V14-V18 HydrophobicContact CG1-CG2 4.25Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.03Å; I16-V18 PolarHBondContact O-N 3.5Å; V18-S22 WeakPolarHBondContact O-CB 3.44Å; V18-S22 PolarHBondContact O-N 3.49Å; V18-S22 PolarHBondContact O-OG 2.82Å; V18-A288 HydrophobicContact CB-CB 4.3Å; V18-A288 HydrophobicContact CG1-CB 3.95Å; V18-F292 HydrophobicContact CG1-CE2 4.06Å; V18-F292 HydrophobicContact CG1-CZ 4.37Å |
| 19 | S | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | 178.3 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | I15 I16 I17 S22 N23 T56 A287 | I15-S19 WeakPolarHBondContact O-CB 3.5Å; I15-S19 PolarHBondContact O-N 3.34Å; I16-S19 PolarHBondContact O-N 2.87Å; I17-S19 PolarHBondContact O-N 3.35Å; S19-S22 PolarHBondContact O-OG 3.18Å; S19-N23 VanDerWaalsContact O-CB 3.28Å; S19-N23 WeakPolarHBondContact O-CB 3.2Å; S19-N23 PolarHBondContact O-N 3.15Å; S19-N23 PolarHBondContact O-ND2 3.27Å; S19-N23 PolarHBondContact OG-ND2 3.01Å; S19-T56 WeakPolarHBondContact CB-OG1 3.36Å; S19-T56 PolarHBondContact OG-OG1 3.48Å; S19-A287 WeakPolarHBondContact OG-CB 3.31Å |
| 20 | L | 97.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 29% | 0.293 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -55.9 | 176.7 | -73.8 | 176.8 | 0 | 0 | 0 | 111.2 | I16 I17 S22 N23 V24 L53 T56 V57 | I16-L20 HydrophobicContact CG2-CD1 3.86Å; I16-L20 HydrophobicContact CG2-CG 4.36Å; I16-L20 WeakPolarHBondContact O-CB 3.3Å; I16-L20 WeakPolarHBondContact O-CG 3.49Å; I16-L20 PolarHBondContact O-N 2.96Å; I17-L20 PolarHBondContact O-N 3.15Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.22Å; L20-N23 PolarHBondContact O-N 2.97Å; L20-V24 VanDerWaalsContact O-CB 3.26Å; L20-V24 WeakPolarHBondContact O-CB 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 2.93Å; L20-L53 HydrophobicContact CD2-CD2 4.35Å; L20-T56 HydrophobicContact CD1-CG2 4.34Å; L20-T56 HydrophobicContact CD2-CG2 3.56Å; L20-T56 HydrophobicContact CG-CG2 3.48Å; L20-T56 VanDerWaalsContact CG-CG2 3.48Å; L20-V57 HydrophobicContact CD2-CG1 3.64Å |
| 21 | L | 96.3 | Very high | 95.6 | Very high | 121 Ų | 121 | 45.8 Ų | 45.8 | 63% | 0.634 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.6 | -46 | -175.1 | -69.6 | 177.4 | 0 | 0 | 0 | 111.7 | I17 L25 | I17-L21 HydrophobicContact CG2-CD1 3.7Å; I17-L21 HydrophobicContact CG2-CG 4.32Å; I17-L21 WeakPolarHBondContact O-CB 3.43Å; I17-L21 VanDerWaalsContact O-CG 3.26Å; I17-L21 WeakPolarHBondContact O-CG 3.18Å; I17-L21 PolarHBondContact O-N 3.1Å; L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 PolarHBondContact O-N 3.38Å |
| 22 | S | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.5 | -41.3 | -176.9 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | V18 S19 L20 L25 V26 P291 | V18-S22 WeakPolarHBondContact O-CB 3.44Å; V18-S22 PolarHBondContact O-N 3.49Å; V18-S22 PolarHBondContact O-OG 2.82Å; S19-S22 PolarHBondContact O-OG 3.18Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.22Å; S22-L25 PolarHBondContact O-N 2.84Å; S22-V26 WeakPolarHBondContact O-CG2 3.27Å; S22-V26 PolarHBondContact O-N 3.04Å; S22-V26 VanDerWaalsContact O-N 3.09Å; S22-P291 WeakPolarHBondContact OG-CG 3.4Å |
| 23 | N | 96.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 178 | -75.7 | -78 | 0 | 0 | 0 | 112.5 | S19 L20 L25 V26 L27 T49 N52 L53 A287 P291 | S19-N23 VanDerWaalsContact O-CB 3.28Å; S19-N23 WeakPolarHBondContact O-CB 3.2Å; S19-N23 PolarHBondContact O-N 3.15Å; S19-N23 PolarHBondContact O-ND2 3.27Å; S19-N23 PolarHBondContact OG-ND2 3.01Å; L20-N23 PolarHBondContact O-N 2.97Å; N23-L25 VanDerWaalsContact C-N 3.32Å; N23-L25 PolarHBondContact O-N 2.86Å; N23-V26 PolarHBondContact O-N 3.45Å; N23-L27 PolarHBondContact O-N 3.43Å; N23-T49 HydrophobicContact CB-CG2 4.17Å; N23-T49 WeakPolarHBondContact O-CG2 3.27Å; N23-N52 WeakPolarHBondContact OD1-CB 3.39Å; N23-L53 HydrophobicContact CB-CD2 3.57Å; N23-L53 HydrophobicContact CB-CG 3.77Å; N23-A287 PolarHBondContact ND2-O 3.25Å; N23-P291 HydrophobicContact CB-CG 4.28Å; N23-P291 VanDerWaalsContact CG-CG 3.43Å; N23-P291 VanDerWaalsContact OD1-CG 3.28Å; N23-P291 WeakPolarHBondContact OD1-CG 3.46Å |
| 24 | V | 96.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 172.4 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | L20 V26 L27 I28 L53 | L20-V24 VanDerWaalsContact O-CB 3.26Å; L20-V24 WeakPolarHBondContact O-CB 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.49Å; L20-V24 PolarHBondContact O-N 2.93Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.28Å; V24-L27 WeakPolarHBondContact O-CB 3.25Å; V24-L27 PolarHBondContact O-N 3.01Å; V24-I28 HydrophobicContact CG1-CD1 3.74Å; V24-I28 HydrophobicContact CG1-CG1 4.27Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.31Å; V24-I28 PolarHBondContact O-N 3.25Å; V24-L53 HydrophobicContact CG2-CD2 3.8Å |
| 25 | L | 93.1 | Very high | 93.6 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.2 | -179 | 61.2 | 0 | 0 | 0 | 112.1 | L21 S22 N23 L27 I28 C29 L296 | L21-L25 VanDerWaalsContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CB 3.31Å; L21-L25 PolarHBondContact O-N 3.38Å; S22-L25 PolarHBondContact O-N 2.84Å; N23-L25 VanDerWaalsContact C-N 3.32Å; N23-L25 PolarHBondContact O-N 2.86Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-I28 PolarHBondContact O-N 2.85Å; L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-C29 PolarHBondContact O-N 3.36Å; L25-C29 PolarHBondContact O-SG 3.49Å; L25-L296 HydrophobicContact CD2-CD1 4.15Å; L25-L296 HydrophobicContact CD2-CD2 3.7Å; L25-L296 HydrophobicContact CG-CD2 3.89Å |
| 26 | V | 93.6 | Very high | 93 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174.8 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | S22 N23 V24 C29 F30 T49 P291 L296 Y301 | S22-V26 WeakPolarHBondContact O-CG2 3.27Å; S22-V26 PolarHBondContact O-N 3.04Å; S22-V26 VanDerWaalsContact O-N 3.09Å; N23-V26 PolarHBondContact O-N 3.45Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.28Å; V26-C29 PolarHBondContact O-N 3.36Å; V26-F30 WeakPolarHBondContact O-CB 3.48Å; V26-F30 PolarHBondContact O-N 3.4Å; V26-T49 WeakPolarHBondContact CG1-OG1 3.35Å; V26-P291 HydrophobicContact CG2-CB 3.68Å; V26-P291 HydrophobicContact CG2-CG 4.29Å; V26-L296 HydrophobicContact CG2-CD1 4.45Å; V26-L296 HydrophobicContact CG2-CD2 3.82Å; V26-L296 HydrophobicContact CG2-CG 3.89Å; V26-Y301 HydrophobicContact CG1-CE1 4.08Å |
| 27 | L | 94.9 | Very high | 92.5 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 177.3 | -177.6 | 60.6 | 0 | 0 | 0 | 111.5 | N23 V24 L25 C29 F30 L31 L46 T49 L53 | N23-L27 PolarHBondContact O-N 3.43Å; V24-L27 WeakPolarHBondContact O-CB 3.25Å; V24-L27 PolarHBondContact O-N 3.01Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L27-C29 VanDerWaalsContact C-N 3.34Å; L27-C29 PolarHBondContact O-N 3.48Å; L27-F30 WeakPolarHBondContact O-CB 3.41Å; L27-F30 PolarHBondContact O-N 3.16Å; L27-L31 HydrophobicContact CD1-CD1 4.28Å; L27-L31 HydrophobicContact CD1-CG 4.28Å; L27-L31 HydrophobicContact CG-CD1 4.11Å; L27-L31 HydrophobicContact CG-CG 4.5Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 2.91Å; L27-L46 HydrophobicContact CD1-CD1 3.78Å; L27-T49 HydrophobicContact CB-CG2 4.06Å; L27-L53 HydrophobicContact CD2-CD1 4.01Å |
| 28 | I | 92.4 | Very high | 92 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 41% | 0.41 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.2 | -68.5 | 168.7 | 0 | 0 | 0 | 110.5 | V24 L25 F30 L31 Y32 I308 | V24-I28 HydrophobicContact CG1-CD1 3.74Å; V24-I28 HydrophobicContact CG1-CG1 4.27Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.31Å; V24-I28 PolarHBondContact O-N 3.25Å; L25-I28 PolarHBondContact O-N 2.85Å; I28-F30 VanDerWaalsContact C-N 3.3Å; I28-F30 PolarHBondContact O-N 3.45Å; I28-L31 PolarHBondContact O-N 2.84Å; I28-Y32 VanDerWaalsContact O-CB 3.25Å; I28-Y32 WeakPolarHBondContact O-CB 3.48Å; I28-Y32 PolarHBondContact O-N 2.87Å; I28-I308 HydrophobicContact CG2-CD1 3.91Å |
| 29 | C | 90.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.2 | -69.4 | 0 | 0 | 0 | 0 | 112 | L25 V26 L27 N33 Y301 T304 C305 | L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-C29 PolarHBondContact O-N 3.36Å; L25-C29 PolarHBondContact O-SG 3.49Å; V26-C29 PolarHBondContact O-N 3.36Å; L27-C29 VanDerWaalsContact C-N 3.34Å; L27-C29 PolarHBondContact O-N 3.48Å; C29-N33 WeakPolarHBondContact O-CB 3.49Å; C29-N33 PolarHBondContact O-N 3.48Å; C29-Y301 HydrophobicContact CB-CD1 3.62Å; C29-Y301 HydrophobicContact CB-CE1 3.87Å; C29-T304 HydrophobicContact CB-CG2 4.17Å; C29-C305 PolarHBondContact SG-SG 3.26Å |
| 30 | F | 90.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 9% | 0.088 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | 177.5 | -175.8 | -89.2 | 0 | 0 | 0 | 111.6 | V26 L27 I28 Y32 I36 R37 G42 L46 | V26-F30 WeakPolarHBondContact O-CB 3.48Å; V26-F30 PolarHBondContact O-N 3.4Å; L27-F30 WeakPolarHBondContact O-CB 3.41Å; L27-F30 PolarHBondContact O-N 3.16Å; I28-F30 VanDerWaalsContact C-N 3.3Å; I28-F30 PolarHBondContact O-N 3.45Å; F30-Y32 PolarHBondContact O-N 3.29Å; F30-I36 HydrophobicContact CD2-CG2 3.89Å; F30-R37 HydrophobicContact CD1-CG 3.95Å; F30-R37 HydrophobicContact CD2-CG 4.31Å; F30-R37 HydrophobicContact CE1-CG 3.69Å; F30-R37 HydrophobicContact CE2-CB 4.49Å; F30-R37 HydrophobicContact CE2-CG 4.07Å; F30-R37 HydrophobicContact CG-CG 4.26Å; F30-R37 HydrophobicContact CZ-CB 4.21Å; F30-R37 HydrophobicContact CZ-CG 3.76Å; F30-R37 VanDerWaalsContact O-CD 3.24Å; F30-R37 WeakPolarHBondContact O-CD 3.02Å; F30-R37 WeakPolarHBondContact O-CG 3.22Å; F30-G42 WeakPolarHBondContact CE2-O 3.24Å; F30-L46 HydrophobicContact CD1-CD1 3.95Å; F30-L46 HydrophobicContact CD1-CD2 4.5Å; F30-L46 HydrophobicContact CE1-CB 4.48Å; F30-L46 HydrophobicContact CE1-CD1 4.06Å; F30-L46 HydrophobicContact CE1-CD2 3.77Å; F30-L46 HydrophobicContact CE1-CG 4.33Å; F30-L46 HydrophobicContact CE2-CB 4.4Å; F30-L46 HydrophobicContact CG-CD1 4.45Å; F30-L46 HydrophobicContact CZ-CB 4.25Å; F30-L46 HydrophobicContact CZ-CD2 4Å |
| 31 | L | 91.4 | Very high | 90.7 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 58% | 0.576 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.6 | -40 | 179.1 | -67.2 | 174.6 | 0 | 0 | 0 | 111.9 | L27 I28 | L27-L31 HydrophobicContact CD1-CD1 4.28Å; L27-L31 HydrophobicContact CD1-CG 4.28Å; L27-L31 HydrophobicContact CG-CD1 4.11Å; L27-L31 HydrophobicContact CG-CG 4.5Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 2.91Å; I28-L31 PolarHBondContact O-N 2.84Å |
| 32 | Y | 89 | Confident | 90.4 | Very high | 107 Ų | 107 | 53.7 Ų | 53.7 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -76 | -37.8 | -175.6 | -167.2 | -97.3 | 0 | 0 | 0 | 113.3 | I28 F30 P34 T304 I308 R311 | I28-Y32 VanDerWaalsContact O-CB 3.25Å; I28-Y32 WeakPolarHBondContact O-CB 3.48Å; I28-Y32 PolarHBondContact O-N 2.87Å; F30-Y32 PolarHBondContact O-N 3.29Å; Y32-P34 WeakPolarHBondContact O-CD 3.39Å; Y32-T304 HydrophobicContact CD1-CG2 4.12Å; Y32-I308 HydrophobicContact CD1-CD1 4.13Å; Y32-I308 HydrophobicContact CD1-CG1 3.89Å; Y32-I308 HydrophobicContact CE1-CG1 4.12Å; Y32-I308 HydrophobicContact CG-CD1 4.11Å; Y32-I308 HydrophobicContact CG-CG1 4.14Å; Y32-R311 WeakPolarHBondContact OH-CD 3.11Å; Y32-R311 PolarHBondContact OH-NE 3.25Å; Y32-R311 PolarHBondContact OH-NH1 2.85Å |
| 33 | N | 87.6 | Confident | 90.3 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | trans | -101.2 | 106.4 | -172.8 | -167.3 | -25.8 | 0 | 0 | 0 | 112.7 | C29 E35 I36 R37 T304 | C29-N33 WeakPolarHBondContact O-CB 3.49Å; C29-N33 PolarHBondContact O-N 3.48Å; N33-E35 PolarHBondContact O-N 2.83Å; N33-E35 WeakPolarHBondContact OD1-CB 3.35Å; N33-E35 PolarHBondContact OD1-N 3.24Å; N33-I36 HydrophobicContact CB-CB 4.24Å; N33-I36 HydrophobicContact CB-CD1 3.81Å; N33-I36 HydrophobicContact CB-CG1 3.89Å; N33-I36 PolarHBondContact O-N 3.24Å; N33-R37 PolarHBondContact O-N 2.93Å; N33-T304 HydrophobicContact CB-CG2 3.89Å; N33-T304 PolarHBondContact ND2-OG1 2.98Å | ||
| 34 | P | 86.6 | Confident | 90.1 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -26.6 | 179.3 | 27.3 | -34.5 | 0 | 0 | 0 | 113.5 | Y32 I36 R37 R38 | Y32-P34 WeakPolarHBondContact O-CD 3.39Å; P34-I36 VanDerWaalsContact C-N 3.33Å; P34-I36 PolarHBondContact O-N 2.84Å; P34-R37 PolarHBondContact O-N 3.48Å; P34-R38 PolarHBondContact O-N 3.43Å |
| 35 | E | 86.3 | Confident | 89.9 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.9 | -174.8 | 57.6 | -146.7 | 0 | 0 | 111.1 | N33 Q39 | N33-E35 PolarHBondContact O-N 2.83Å; N33-E35 WeakPolarHBondContact OD1-CB 3.35Å; N33-E35 PolarHBondContact OD1-N 3.24Å; E35-Q39 WeakPolarHBondContact O-CG 3.35Å |
| 36 | I | 85.2 | Confident | 89.9 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.9 | -63.4 | -179.5 | 0 | 0 | 0 | 110.1 | F30 N33 P34 R38 Q39 Y301 | F30-I36 HydrophobicContact CD2-CG2 3.89Å; N33-I36 HydrophobicContact CB-CB 4.24Å; N33-I36 HydrophobicContact CB-CD1 3.81Å; N33-I36 HydrophobicContact CB-CG1 3.89Å; N33-I36 PolarHBondContact O-N 3.24Å; P34-I36 VanDerWaalsContact C-N 3.33Å; P34-I36 PolarHBondContact O-N 2.84Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.31Å; I36-Q39 PolarHBondContact O-N 2.94Å; I36-Y301 HydrophobicContact CD1-CD1 4.18Å; I36-Y301 HydrophobicContact CD1-CD2 4.04Å; I36-Y301 HydrophobicContact CD1-CE1 4.13Å; I36-Y301 HydrophobicContact CD1-CE2 3.97Å; I36-Y301 HydrophobicContact CD1-CG 4.15Å; I36-Y301 HydrophobicContact CG1-CE2 4.5Å; I36-Y301 HydrophobicContact CG2-CE1 4.39Å; I36-Y301 HydrophobicContact CG2-CE2 3.96Å; I36-Y301 VanDerWaalsContact CG2-OH 3.22Å; I36-Y301 WeakPolarHBondContact CG2-OH 3.3Å |
| 37 | R | 87.3 | Confident | 90.1 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.9 | -33.4 | 179.9 | -64.5 | -167.5 | -79.8 | 143.7 | -3.6 | 113.4 | F30 N33 P34 Q39 | F30-R37 HydrophobicContact CD1-CG 3.95Å; F30-R37 HydrophobicContact CD2-CG 4.31Å; F30-R37 HydrophobicContact CE1-CG 3.69Å; F30-R37 HydrophobicContact CE2-CB 4.49Å; F30-R37 HydrophobicContact CE2-CG 4.07Å; F30-R37 HydrophobicContact CG-CG 4.26Å; F30-R37 HydrophobicContact CZ-CB 4.21Å; F30-R37 HydrophobicContact CZ-CG 3.76Å; F30-R37 VanDerWaalsContact O-CD 3.24Å; F30-R37 WeakPolarHBondContact O-CD 3.02Å; F30-R37 WeakPolarHBondContact O-CG 3.22Å; N33-R37 PolarHBondContact O-N 2.93Å; P34-R37 PolarHBondContact O-N 3.48Å; R37-Q39 PolarHBondContact O-N 3.31Å |
| 38 | R | 86.4 | Confident | 90.1 | Very high | 199 Ų | 199 | 51.4 Ų | 51.4 | 75% | 0.751 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -71.2 | -18.3 | 179.9 | -169.2 | 170 | 172.2 | 121.6 | -2.9 | 112.9 | P34 I36 | P34-R38 PolarHBondContact O-N 3.43Å; I36-R38 VanDerWaalsContact C-N 3.33Å; I36-R38 PolarHBondContact O-N 3.31Å |
| 39 | Q | 87.8 | Confident | 90.3 | Very high | 50 Ų | 50 | 48 Ų | 48 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -79.9 | 131.8 | 178.8 | -64.2 | 173.5 | 19.6 | 0 | 0 | 110.9 | E35 I36 R37 G42 Q300 | E35-Q39 WeakPolarHBondContact O-CG 3.35Å; I36-Q39 PolarHBondContact O-N 2.94Å; R37-Q39 PolarHBondContact O-N 3.31Å; Q39-G42 WeakPolarHBondContact O-CA 3.35Å; Q39-G42 PolarHBondContact O-N 2.92Å; Q39-Q300 VanDerWaalsContact NE2-CD 3.31Å |
| 40 | V | 88.5 | Confident | 90.6 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -41.2 | 177 | -175.4 | 0 | 0 | 0 | 0 | 114.3 | G42 L43 M118 A123 | V40-G42 PolarHBondContact O-N 3.4Å; V40-G42 VanDerWaalsContact O-N 3.1Å; V40-L43 PolarHBondContact O-N 2.72Å; V40-L43 VanDerWaalsContact O-N 3.14Å; V40-M118 HydrophobicContact CB-CG 4.25Å; V40-M118 HydrophobicContact CG1-CG 3.72Å; V40-M118 HydrophobicContact CG1-SD 4.11Å; V40-A123 HydrophobicContact CG1-CB 3.44Å; V40-A123 VanDerWaalsContact CG1-CB 3.44Å |
| 41 | P | 88.9 | Confident | 90.9 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -17.2 | 175.8 | -13.1 | 27.1 | 0 | 0 | 0 | 113.5 | L43 F44 N45 D103 R104 Y114 | P41-L43 PolarHBondContact O-N 2.84Å; P41-F44 PolarHBondContact O-N 3.08Å; P41-N45 PolarHBondContact O-N 3.15Å; P41-D103 VanDerWaalsContact CG-OD2 3.31Å; P41-D103 WeakPolarHBondContact CG-OD2 3.37Å; P41-R104 VanDerWaalsContact CB-NH2 3.31Å; P41-Y114 VanDerWaalsContact CD-OH 3.3Å; P41-Y114 WeakPolarHBondContact CD-OH 3.36Å; P41-Y114 WeakPolarHBondContact CG-OH 3.44Å |
| 42 | G | 90.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -34.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F30 Q39 V40 L46 | F30-G42 WeakPolarHBondContact CE2-O 3.24Å; Q39-G42 WeakPolarHBondContact O-CA 3.35Å; Q39-G42 PolarHBondContact O-N 2.92Å; V40-G42 PolarHBondContact O-N 3.4Å; V40-G42 VanDerWaalsContact O-N 3.1Å; G42-L46 VanDerWaalsContact O-CB 3.29Å; G42-L46 WeakPolarHBondContact O-CB 3.49Å; G42-L46 PolarHBondContact O-N 3.41Å |
| 43 | L | 92.7 | Very high | 91.6 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 29% | 0.288 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -45.4 | 176.9 | -65.4 | 177.5 | 0 | 0 | 0 | 112 | V40 P41 L46 N47 A123 L127 | V40-L43 PolarHBondContact O-N 2.72Å; V40-L43 VanDerWaalsContact O-N 3.14Å; P41-L43 PolarHBondContact O-N 2.84Å; L43-L46 PolarHBondContact O-N 2.87Å; L43-N47 PolarHBondContact O-N 3.5Å; L43-A123 HydrophobicContact CD1-CB 4.25Å; L43-L127 HydrophobicContact CB-CD1 4.06Å |
| 44 | F | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 176.8 | -58.6 | -57.2 | 0 | 0 | 0 | 111.8 | P41 L46 N47 L48 A99 L100 D103 A123 V126 L127 | P41-F44 PolarHBondContact O-N 3.08Å; F44-L46 VanDerWaalsContact C-N 3.35Å; F44-N47 PolarHBondContact O-N 3.49Å; F44-L48 WeakPolarHBondContact O-CB 3.26Å; F44-L48 PolarHBondContact O-N 3.31Å; F44-A99 HydrophobicContact CD1-CB 3.95Å; F44-A99 HydrophobicContact CE1-CB 3.84Å; F44-A99 HydrophobicContact CZ-CB 4.32Å; F44-L100 HydrophobicContact CB-CD1 4.45Å; F44-L100 HydrophobicContact CB-CD2 3.57Å; F44-L100 HydrophobicContact CB-CG 3.75Å; F44-L100 HydrophobicContact CD2-CD2 4.3Å; F44-L100 HydrophobicContact CG-CD2 4.34Å; F44-L100 HydrophobicContact CG-CG 4.49Å; F44-D103 HydrophobicContact CE2-CB 4.32Å; F44-A123 HydrophobicContact CE1-CB 4.15Å; F44-A123 HydrophobicContact CE2-CB 4.01Å; F44-A123 HydrophobicContact CZ-CB 3.57Å; F44-V126 HydrophobicContact CE1-CB 4.02Å; F44-V126 HydrophobicContact CE1-CG1 3.81Å; F44-V126 HydrophobicContact CZ-CB 4.25Å; F44-V126 HydrophobicContact CZ-CG1 4.23Å; F44-L127 HydrophobicContact CD1-CD1 4.38Å; F44-L127 HydrophobicContact CD1-CD2 3.75Å; F44-L127 HydrophobicContact CD1-CG 3.88Å; F44-L127 HydrophobicContact CE1-CD2 4.23Å; F44-L127 HydrophobicContact CE1-CG 3.94Å |
| 45 | N | 92.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.8 | -77.4 | -7.5 | 0 | 0 | 0 | 111.5 | P41 L48 T49 L100 S295 | P41-N45 PolarHBondContact O-N 3.15Å; N45-L48 PolarHBondContact O-N 3.37Å; N45-T49 WeakPolarHBondContact O-CB 3.48Å; N45-T49 PolarHBondContact O-N 3.36Å; N45-T49 PolarHBondContact O-OG1 2.88Å; N45-T49 VanDerWaalsContact O-OG1 3.13Å; N45-L100 WeakPolarHBondContact OD1-CD2 3.41Å; N45-S295 PolarHBondContact ND2-OG 3.45Å |
| 46 | L | 93.9 | Very high | 93.1 | Very high | 59 Ų | 59 | 35.3 Ų | 35.3 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.4 | -177.4 | 66.6 | 0 | 0 | 0 | 111.4 | L27 F30 G42 L43 F44 L48 T49 F50 | L27-L46 HydrophobicContact CD1-CD1 3.78Å; F30-L46 HydrophobicContact CD1-CD1 3.95Å; F30-L46 HydrophobicContact CD1-CD2 4.5Å; F30-L46 HydrophobicContact CE1-CB 4.48Å; F30-L46 HydrophobicContact CE1-CD1 4.06Å; F30-L46 HydrophobicContact CE1-CD2 3.77Å; F30-L46 HydrophobicContact CE1-CG 4.33Å; F30-L46 HydrophobicContact CE2-CB 4.4Å; F30-L46 HydrophobicContact CG-CD1 4.45Å; F30-L46 HydrophobicContact CZ-CB 4.25Å; F30-L46 HydrophobicContact CZ-CD2 4Å; G42-L46 VanDerWaalsContact O-CB 3.29Å; G42-L46 WeakPolarHBondContact O-CB 3.49Å; G42-L46 PolarHBondContact O-N 3.41Å; L43-L46 PolarHBondContact O-N 2.87Å; F44-L46 VanDerWaalsContact C-N 3.35Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 2.9Å; L46-T49 PolarHBondContact O-N 3.21Å; L46-F50 WeakPolarHBondContact O-CB 3.48Å; L46-F50 PolarHBondContact O-N 2.92Å |
| 47 | N | 96.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 175.9 | -176.3 | 72.9 | 0 | 0 | 0 | 111.8 | L43 F44 F50 C51 N92 S96 L127 W131 | L43-N47 PolarHBondContact O-N 3.5Å; F44-N47 PolarHBondContact O-N 3.49Å; N47-F50 PolarHBondContact O-N 2.86Å; N47-C51 PolarHBondContact O-N 3.06Å; N47-C51 PolarHBondContact O-SG 3.14Å; N47-N92 PolarHBondContact ND2-OD1 3.49Å; N47-S96 PolarHBondContact ND2-OG 3.21Å; N47-L127 HydrophobicContact CB-CD2 3.78Å; N47-W131 PolarHBondContact OD1-NE1 3.33Å |
| 48 | L | 95.3 | Very high | 94 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 177.4 | -171.8 | 64.6 | 0 | 0 | 0 | 111.6 | F44 N45 L46 F50 C51 N52 M97 L100 D290 Y294 | F44-L48 WeakPolarHBondContact O-CB 3.26Å; F44-L48 PolarHBondContact O-N 3.31Å; N45-L48 PolarHBondContact O-N 3.37Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L48 PolarHBondContact O-N 2.9Å; L48-F50 PolarHBondContact O-N 3.43Å; L48-C51 PolarHBondContact O-N 3.01Å; L48-N52 WeakPolarHBondContact O-CB 3.23Å; L48-N52 PolarHBondContact O-N 3.3Å; L48-N52 PolarHBondContact O-ND2 3.49Å; L48-M97 HydrophobicContact CD1-CG 4.4Å; L48-L100 HydrophobicContact CD2-CD1 3.88Å; L48-D290 HydrophobicContact CD2-CB 4.01Å; L48-D290 HydrophobicContact CG-CB 4.5Å; L48-Y294 HydrophobicContact CD2-CD2 3.67Å; L48-Y294 HydrophobicContact CD2-CE2 3.74Å |
| 49 | T | 96.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 25 Ų | 25 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 175.1 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | N23 V26 L27 N45 L46 N52 L53 | N23-T49 HydrophobicContact CB-CG2 4.17Å; N23-T49 WeakPolarHBondContact O-CG2 3.27Å; V26-T49 WeakPolarHBondContact CG1-OG1 3.35Å; L27-T49 HydrophobicContact CB-CG2 4.06Å; N45-T49 WeakPolarHBondContact O-CB 3.48Å; N45-T49 PolarHBondContact O-N 3.36Å; N45-T49 PolarHBondContact O-OG1 2.88Å; N45-T49 VanDerWaalsContact O-OG1 3.13Å; L46-T49 PolarHBondContact O-N 3.21Å; T49-N52 PolarHBondContact O-N 2.94Å; T49-L53 HydrophobicContact CG2-CD1 3.92Å; T49-L53 HydrophobicContact CG2-CG 4.35Å; T49-L53 WeakPolarHBondContact O-CB 3.36Å; T49-L53 VanDerWaalsContact O-CG 3.29Å; T49-L53 WeakPolarHBondContact O-CG 3.37Å; T49-L53 PolarHBondContact O-N 3.37Å |
| 50 | F | 96.6 | Very high | 94.9 | Very high | 97 Ų | 97 | 22.7 Ų | 22.7 | 43% | 0.425 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 174.2 | 172 | -100.1 | 0 | 0 | 0 | 111.4 | L46 N47 L48 N52 L53 L54 W131 | L46-F50 WeakPolarHBondContact O-CB 3.48Å; L46-F50 PolarHBondContact O-N 2.92Å; N47-F50 PolarHBondContact O-N 2.86Å; L48-F50 PolarHBondContact O-N 3.43Å; F50-N52 PolarHBondContact O-N 3.49Å; F50-L53 PolarHBondContact O-N 2.86Å; F50-L54 HydrophobicContact CE1-CD2 4.29Å; F50-L54 HydrophobicContact CZ-CD2 3.95Å; F50-L54 WeakPolarHBondContact O-CB 3.35Å; F50-L54 PolarHBondContact O-N 3.42Å; F50-W131 HydrophobicContact CE1-CH2 4.23Å; F50-W131 HydrophobicContact CE1-CZ2 4.35Å |
| 51 | C | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 112 | N47 L48 L54 L55 L89 S93 | N47-C51 PolarHBondContact O-N 3.06Å; N47-C51 PolarHBondContact O-SG 3.14Å; L48-C51 PolarHBondContact O-N 3.01Å; C51-L54 PolarHBondContact O-N 3.13Å; C51-L55 VanDerWaalsContact O-CB 3.22Å; C51-L55 WeakPolarHBondContact O-CB 3.24Å; C51-L55 PolarHBondContact O-N 3.3Å; C51-L89 HydrophobicContact CB-CB 4.48Å; C51-L89 HydrophobicContact CB-CD2 4.12Å; C51-S93 WeakPolarHBondContact CB-OG 3.24Å |
| 52 | N | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -45 | 180 | -71.6 | -11.5 | 0 | 0 | 0 | 111.8 | N23 L48 T49 F50 L55 T56 S93 A287 D290 | N23-N52 WeakPolarHBondContact OD1-CB 3.39Å; L48-N52 WeakPolarHBondContact O-CB 3.23Å; L48-N52 PolarHBondContact O-N 3.3Å; L48-N52 PolarHBondContact O-ND2 3.49Å; T49-N52 PolarHBondContact O-N 2.94Å; F50-N52 PolarHBondContact O-N 3.49Å; N52-L55 PolarHBondContact O-N 3.22Å; N52-T56 VanDerWaalsContact O-CB 3.3Å; N52-T56 WeakPolarHBondContact O-CB 3.29Å; N52-T56 PolarHBondContact O-N 2.94Å; N52-T56 PolarHBondContact O-OG1 3.28Å; N52-S93 PolarHBondContact OD1-OG 3.38Å; N52-A287 HydrophobicContact CB-CB 3.89Å; N52-D290 WeakPolarHBondContact ND2-CB 3.39Å; N52-D290 PolarHBondContact ND2-OD2 3.17Å |
| 53 | L | 98 | Very high | 95.7 | Very high | 30 Ų | 30 | 25.1 Ų | 25.1 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.7 | -73.9 | 172.7 | 0 | 0 | 0 | 111.2 | L20 N23 V24 L27 T49 F50 L55 T56 V57 | L20-L53 HydrophobicContact CD2-CD2 4.35Å; N23-L53 HydrophobicContact CB-CD2 3.57Å; N23-L53 HydrophobicContact CB-CG 3.77Å; V24-L53 HydrophobicContact CG2-CD2 3.8Å; L27-L53 HydrophobicContact CD2-CD1 4.01Å; T49-L53 HydrophobicContact CG2-CD1 3.92Å; T49-L53 HydrophobicContact CG2-CG 4.35Å; T49-L53 WeakPolarHBondContact O-CB 3.36Å; T49-L53 VanDerWaalsContact O-CG 3.29Å; T49-L53 WeakPolarHBondContact O-CG 3.37Å; T49-L53 PolarHBondContact O-N 3.37Å; F50-L53 PolarHBondContact O-N 2.86Å; L53-L55 PolarHBondContact O-N 3.06Å; L53-T56 PolarHBondContact O-N 3.18Å; L53-T56 VanDerWaalsContact O-N 3.17Å; L53-V57 WeakPolarHBondContact O-CG2 3.34Å; L53-V57 PolarHBondContact O-N 2.91Å |
| 54 | L | 97.4 | Very high | 95.9 | Very high | 53 Ų | 53 | 24.3 Ų | 24.3 | 28% | 0.277 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66 | -39.1 | -177.8 | -169.2 | 57 | 0 | 0 | 0 | 111.7 | F50 C51 T56 V57 A58 L85 L89 | F50-L54 HydrophobicContact CE1-CD2 4.29Å; F50-L54 HydrophobicContact CZ-CD2 3.95Å; F50-L54 WeakPolarHBondContact O-CB 3.35Å; F50-L54 PolarHBondContact O-N 3.42Å; C51-L54 PolarHBondContact O-N 3.13Å; L54-T56 VanDerWaalsContact C-N 3.34Å; L54-T56 PolarHBondContact O-N 3.11Å; L54-V57 HydrophobicContact CD1-CG2 4.22Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 3.43Å; L54-L85 HydrophobicContact CD1-CD2 4.45Å; L54-L85 HydrophobicContact CD2-CD1 3.84Å; L54-L85 HydrophobicContact CD2-CD2 4.46Å; L54-L85 HydrophobicContact CG-CD1 4.3Å; L54-L85 HydrophobicContact CG-CD2 4.12Å; L54-L89 HydrophobicContact CB-CD1 3.72Å; L54-L89 HydrophobicContact CD2-CD1 3.97Å; L54-L89 HydrophobicContact CD2-CD2 4.2Å; L54-L89 HydrophobicContact CG-CD1 3.71Å |
| 55 | L | 97.1 | Very high | 96 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 172.5 | -174 | 70.9 | 0 | 0 | 0 | 111.2 | C51 N52 L53 N59 M60 E86 L89 Y284 | C51-L55 VanDerWaalsContact O-CB 3.22Å; C51-L55 WeakPolarHBondContact O-CB 3.24Å; C51-L55 PolarHBondContact O-N 3.3Å; N52-L55 PolarHBondContact O-N 3.22Å; L53-L55 PolarHBondContact O-N 3.06Å; L55-N59 HydrophobicContact CD1-CB 3.93Å; L55-N59 WeakPolarHBondContact O-CB 3.41Å; L55-N59 PolarHBondContact O-N 2.95Å; L55-M60 HydrophobicContact CD2-CE 4.26Å; L55-M60 HydrophobicContact CG-CE 4.32Å; L55-M60 PolarHBondContact O-N 2.92Å; L55-E86 HydrophobicContact CD1-CG 4.19Å; L55-L89 HydrophobicContact CB-CD1 4.19Å; L55-Y284 HydrophobicContact CD1-CE1 4.18Å; L55-Y284 HydrophobicContact CD2-CD1 4.11Å; L55-Y284 HydrophobicContact CD2-CE1 4.32Å; L55-Y284 HydrophobicContact CG-CD1 4.46Å; L55-Y284 HydrophobicContact CG-CE1 4.3Å |
| 56 | T | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70 | -35.4 | -178.7 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | I16 S19 L20 N52 L53 L54 M60 P61 | I16-T56 HydrophobicContact CB-CG2 4.44Å; I16-T56 HydrophobicContact CG2-CG2 4.1Å; S19-T56 WeakPolarHBondContact CB-OG1 3.36Å; S19-T56 PolarHBondContact OG-OG1 3.48Å; L20-T56 HydrophobicContact CD1-CG2 4.34Å; L20-T56 HydrophobicContact CD2-CG2 3.56Å; L20-T56 HydrophobicContact CG-CG2 3.48Å; L20-T56 VanDerWaalsContact CG-CG2 3.48Å; N52-T56 VanDerWaalsContact O-CB 3.3Å; N52-T56 WeakPolarHBondContact O-CB 3.29Å; N52-T56 PolarHBondContact O-N 2.94Å; N52-T56 PolarHBondContact O-OG1 3.28Å; L53-T56 PolarHBondContact O-N 3.18Å; L53-T56 VanDerWaalsContact O-N 3.17Å; L54-T56 VanDerWaalsContact C-N 3.34Å; L54-T56 PolarHBondContact O-N 3.11Å; T56-M60 HydrophobicContact CG2-SD 3.77Å; T56-M60 WeakPolarHBondContact OG1-CE 3.3Å; T56-M60 PolarHBondContact OG1-SD 3.1Å; T56-P61 VanDerWaalsContact O-CD 3.27Å; T56-P61 WeakPolarHBondContact O-CD 3.39Å |
| 57 | V | 97.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 24.6 Ų | 24.6 | 50% | 0.503 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -85.9 | -31 | 178.7 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | L20 L53 L54 P61 | L20-V57 HydrophobicContact CD2-CG1 3.64Å; L53-V57 WeakPolarHBondContact O-CG2 3.34Å; L53-V57 PolarHBondContact O-N 2.91Å; L54-V57 HydrophobicContact CD1-CG2 4.22Å; V57-P61 WeakPolarHBondContact O-CG 3.4Å |
| 58 | A | 93.9 | Very high | 96 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 23% | 0.231 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -94.6 | -45.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L54 L62 L85 | L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 3.43Å; A58-L62 WeakPolarHBondContact O-CD1 3.45Å; A58-L62 VanDerWaalsContact O-CG 3.32Å; A58-L62 WeakPolarHBondContact O-CG 3.33Å; A58-L85 HydrophobicContact CB-CD2 3.54Å |
| 59 | N | 95.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -45 | -168.3 | -68.6 | -70.8 | 0 | 0 | 0 | 113.1 | L55 P61 L62 T63 A82 | L55-N59 HydrophobicContact CD1-CB 3.93Å; L55-N59 WeakPolarHBondContact O-CB 3.41Å; L55-N59 PolarHBondContact O-N 2.95Å; N59-P61 VanDerWaalsContact C-CD 3.5Å; N59-L62 WeakPolarHBondContact O-CB 3.49Å; N59-L62 PolarHBondContact O-N 3.48Å; N59-L62 VanDerWaalsContact O-N 3.13Å; N59-T63 PolarHBondContact O-N 3.4Å; N59-T63 PolarHBondContact O-OG1 2.87Å; N59-A82 PolarHBondContact OD1-O 3.43Å |
| 60 | M | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | -178 | -59.2 | -176.4 | -172.2 | 0 | 0 | 113.8 | I15 I16 L55 T56 L62 T63 L64 Y284 A287 | I15-M60 HydrophobicContact CG2-CE 4.4Å; I15-M60 HydrophobicContact CG2-SD 4.08Å; I16-M60 HydrophobicContact CD1-CB 3.85Å; I16-M60 HydrophobicContact CG1-CB 3.51Å; I16-M60 HydrophobicContact CG1-CG 4.36Å; I16-M60 HydrophobicContact CG1-SD 3.98Å; L55-M60 HydrophobicContact CD2-CE 4.26Å; L55-M60 HydrophobicContact CG-CE 4.32Å; L55-M60 PolarHBondContact O-N 2.92Å; T56-M60 HydrophobicContact CG2-SD 3.77Å; T56-M60 WeakPolarHBondContact OG1-CE 3.3Å; T56-M60 PolarHBondContact OG1-SD 3.1Å; M60-L62 VanDerWaalsContact C-N 3.34Å; M60-L62 PolarHBondContact O-N 3.09Å; M60-T63 WeakPolarHBondContact O-CB 3.49Å; M60-T63 PolarHBondContact O-N 3.27Å; M60-L64 PolarHBondContact O-N 3.15Å; M60-Y284 HydrophobicContact CB-CD2 4.5Å; M60-Y284 HydrophobicContact CB-CE2 4.37Å; M60-Y284 HydrophobicContact CE-CD1 4Å; M60-Y284 HydrophobicContact CE-CG 3.85Å; M60-Y284 HydrophobicContact CG-CD1 4.27Å; M60-Y284 HydrophobicContact CG-CD2 3.76Å; M60-Y284 HydrophobicContact CG-CE1 4.39Å; M60-Y284 HydrophobicContact CG-CE2 3.87Å; M60-Y284 HydrophobicContact CG-CG 3.97Å; M60-Y284 HydrophobicContact SD-CD2 4.47Å; M60-Y284 HydrophobicContact SD-CG 4.34Å; M60-A287 HydrophobicContact CE-CB 3.88Å |
| 61 | P | 95.8 | Very high | 95.2 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.8 | -34.1 | 176.9 | -22.6 | 37.2 | 0 | 0 | 0 | 112.3 | T56 V57 N59 T63 L64 V65 | T56-P61 VanDerWaalsContact O-CD 3.27Å; T56-P61 WeakPolarHBondContact O-CD 3.39Å; V57-P61 WeakPolarHBondContact O-CG 3.4Å; N59-P61 VanDerWaalsContact C-CD 3.5Å; P61-T63 VanDerWaalsContact C-N 3.34Å; P61-L64 WeakPolarHBondContact O-CB 3.18Å; P61-L64 PolarHBondContact O-N 3.49Å; P61-V65 WeakPolarHBondContact O-CG2 3.4Å; P61-V65 PolarHBondContact O-N 3.01Å |
| 62 | L | 94.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 174.1 | -60.4 | 173.3 | 0 | 0 | 0 | 111.8 | A58 N59 M60 L64 V65 G66 P73 F78 A82 | A58-L62 WeakPolarHBondContact O-CD1 3.45Å; A58-L62 VanDerWaalsContact O-CG 3.32Å; A58-L62 WeakPolarHBondContact O-CG 3.33Å; N59-L62 WeakPolarHBondContact O-CB 3.49Å; N59-L62 PolarHBondContact O-N 3.48Å; N59-L62 VanDerWaalsContact O-N 3.13Å; M60-L62 VanDerWaalsContact C-N 3.34Å; M60-L62 PolarHBondContact O-N 3.09Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 3.41Å; L62-V65 PolarHBondContact O-N 3.44Å; L62-G66 PolarHBondContact O-N 3.41Å; L62-P73 HydrophobicContact CB-CB 4.43Å; L62-P73 HydrophobicContact CB-CG 3.87Å; L62-P73 HydrophobicContact CD2-CB 3.9Å; L62-P73 HydrophobicContact CD2-CG 4.11Å; L62-F78 HydrophobicContact CD1-CD1 3.92Å; L62-F78 HydrophobicContact CD1-CE1 3.37Å; L62-F78 HydrophobicContact CD1-CZ 4.39Å; L62-F78 HydrophobicContact CD2-CD1 3.93Å; L62-F78 HydrophobicContact CD2-CE1 3.32Å; L62-F78 HydrophobicContact CD2-CZ 4.33Å; L62-F78 HydrophobicContact CG-CE1 3.84Å; L62-A82 HydrophobicContact CD1-CB 3.41Å; L62-A82 VanDerWaalsContact CD1-CB 3.41Å |
| 63 | T | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 172.9 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | N59 M60 P61 G66 L67 A154 S155 Y284 | N59-T63 PolarHBondContact O-N 3.4Å; N59-T63 PolarHBondContact O-OG1 2.87Å; M60-T63 WeakPolarHBondContact O-CB 3.49Å; M60-T63 PolarHBondContact O-N 3.27Å; P61-T63 VanDerWaalsContact C-N 3.34Å; T63-G66 PolarHBondContact O-N 3.12Å; T63-L67 VanDerWaalsContact O-CB 3.31Å; T63-L67 WeakPolarHBondContact O-CB 3.43Å; T63-L67 PolarHBondContact O-N 3.2Å; T63-A154 VanDerWaalsContact CA-O 3.31Å; T63-A154 WeakPolarHBondContact CA-O 3.45Å; T63-S155 WeakPolarHBondContact OG1-CB 3.33Å; T63-Y284 HydrophobicContact CG2-CE2 4.03Å; T63-Y284 PolarHBondContact OG1-OH 2.98Å |
| 64 | L | 96.6 | Very high | 93.9 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.8 | -178.1 | 63.2 | 0 | 0 | 0 | 112.2 | V12 V13 I16 M60 P61 L62 L67 V68 | V12-L64 HydrophobicContact CB-CD1 4.42Å; V12-L64 HydrophobicContact CG1-CB 4.03Å; V12-L64 HydrophobicContact CG1-CD1 4.34Å; V13-L64 HydrophobicContact CG2-CD1 4.02Å; V13-L64 HydrophobicContact CG2-CD2 3.63Å; V13-L64 HydrophobicContact CG2-CG 4.5Å; I16-L64 HydrophobicContact CD1-CD2 4.48Å; M60-L64 PolarHBondContact O-N 3.15Å; P61-L64 WeakPolarHBondContact O-CB 3.18Å; P61-L64 PolarHBondContact O-N 3.49Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 3.41Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-V68 HydrophobicContact CD1-CG2 4.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.26Å; L64-V68 PolarHBondContact O-N 3.22Å |
| 65 | V | 95.5 | Very high | 93.5 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 39% | 0.394 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 177 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | P61 L62 L67 V68 S69 P73 | P61-V65 WeakPolarHBondContact O-CG2 3.4Å; P61-V65 PolarHBondContact O-N 3.01Å; L62-V65 PolarHBondContact O-N 3.44Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 2.77Å; V65-V68 PolarHBondContact O-N 2.94Å; V65-S69 WeakPolarHBondContact O-CB 3.26Å; V65-S69 PolarHBondContact O-N 3.35Å; V65-S69 PolarHBondContact O-OG 3.34Å; V65-P73 HydrophobicContact CB-CB 4.06Å; V65-P73 HydrophobicContact CG1-CB 3.8Å |
| 66 | G | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L62 T63 R70 A71 Y149 | L62-G66 PolarHBondContact O-N 3.41Å; T63-G66 PolarHBondContact O-N 3.12Å; G66-R70 VanDerWaalsContact O-CA 3.24Å; G66-R70 WeakPolarHBondContact O-CA 3.49Å; G66-R70 PolarHBondContact O-N 3.47Å; G66-A71 WeakPolarHBondContact CA-O 3.21Å; G66-Y149 WeakPolarHBondContact CA-OH 3.39Å; G66-Y149 PolarHBondContact O-OH 2.97Å |
| 67 | L | 93.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.9 | -48 | 176.1 | -176.2 | 60.1 | 0 | 0 | 0 | 112.4 | E5 L8 S9 T63 L64 V65 A154 I277 | E5-L67 HydrophobicContact CB-CD1 4.46Å; E5-L67 HydrophobicContact CG-CD1 4.13Å; L8-L67 HydrophobicContact CB-CD2 4Å; S9-L67 VanDerWaalsContact OG-CD2 3.27Å; S9-L67 WeakPolarHBondContact OG-CD2 3.37Å; T63-L67 VanDerWaalsContact O-CB 3.31Å; T63-L67 WeakPolarHBondContact O-CB 3.43Å; T63-L67 PolarHBondContact O-N 3.2Å; L64-L67 PolarHBondContact O-N 3.17Å; V65-L67 VanDerWaalsContact C-N 3.28Å; V65-L67 PolarHBondContact O-N 2.77Å; L67-A154 HydrophobicContact CB-CB 4.16Å; L67-A154 HydrophobicContact CD1-CB 4.38Å; L67-I277 HydrophobicContact CD1-CD1 3.6Å; L67-I277 HydrophobicContact CD1-CG1 4.46Å; L67-I277 HydrophobicContact CD2-CG2 4.44Å |
| 68 | V | 94.1 | Very high | 92.6 | Very high | 72 Ų | 72 | 47 Ų | 47 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.9 | -46.1 | -177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | M1 L64 V65 R70 | M1-V68 HydrophobicContact CE-CG2 4.3Å; M1-V68 HydrophobicContact SD-CG1 4.26Å; L64-V68 HydrophobicContact CD1-CG2 4.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.26Å; L64-V68 PolarHBondContact O-N 3.22Å; V65-V68 PolarHBondContact O-N 2.94Å; V68-R70 VanDerWaalsContact C-N 3.31Å |
| 69 | S | 91.5 | Very high | 92.5 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.7 | -11.1 | -177.5 | -57.1 | 0 | 0 | 0 | 0 | 113 | V65 A71 | V65-S69 WeakPolarHBondContact O-CB 3.26Å; V65-S69 PolarHBondContact O-N 3.35Å; V65-S69 PolarHBondContact O-OG 3.34Å; S69-A71 WeakPolarHBondContact O-CB 3.38Å; S69-A71 PolarHBondContact O-N 3.46Å |
| 70 | R | 89.6 | Confident | 92.5 | Very high | 144 Ų | 144 | 50.2 Ų | 50.2 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 50.4 | 27.3 | -172.8 | -60.9 | -179.9 | 170.6 | -160.7 | -3.1 | 113.2 | M1 E5 G66 V68 | M1-R70 VanDerWaalsContact CA-NH2 3.35Å; E5-R70 IonicContact OE1-CZ 3.8Å; E5-R70 VanDerWaalsContact OE1-CZ 3.23Å; E5-R70 IonicContact OE1-NE 3.23Å; E5-R70 PolarHBondContact OE1-NE 2.85Å; E5-R70 IonicContact OE1-NH2 3.28Å; E5-R70 PolarHBondContact OE1-NH2 2.89Å; E5-R70 IonicContact OE2-CZ 3.01Å; E5-R70 IonicContact OE2-NE 3.21Å; E5-R70 PolarHBondContact OE2-NE 3.35Å; E5-R70 IonicContact OE2-NH2 2.97Å; E5-R70 PolarHBondContact OE2-NH2 3.02Å; G66-R70 VanDerWaalsContact O-CA 3.24Å; G66-R70 WeakPolarHBondContact O-CA 3.49Å; G66-R70 PolarHBondContact O-N 3.47Å; V68-R70 VanDerWaalsContact C-N 3.31Å |
| 71 | A | 89.8 | Confident | 92.4 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 40% | 0.397 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -144.7 | 161.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G66 S69 P73 | G66-A71 WeakPolarHBondContact CA-O 3.21Å; S69-A71 WeakPolarHBondContact O-CB 3.38Å; S69-A71 PolarHBondContact O-N 3.46Å; A71-P73 WeakPolarHBondContact O-CD 3.39Å |
| 72 | Q | 92.1 | Very high | 92.4 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | trans | -64.9 | 127 | 179.8 | 178.5 | 173.8 | -78.5 | 0 | 0 | 111.1 | G75 D76 C79 Y149 | Q72-G75 PolarHBondContact NE2-O 3.2Å; Q72-D76 VanDerWaalsContact NE2-N 3.17Å; Q72-D76 PolarHBondContact NE2-OD1 3.35Å; Q72-C79 HydrophobicContact CG-CB 4.25Å; Q72-Y149 HydrophobicContact CB-CD1 3.97Å; Q72-Y149 HydrophobicContact CB-CD2 4.41Å; Q72-Y149 HydrophobicContact CB-CG 3.9Å; Q72-Y149 HydrophobicContact CG-CD2 4.37Å; Q72-Y149 HydrophobicContact CG-CG 4.01Å | ||
| 73 | P | 89.1 | Confident | 92.4 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -78.9 | 137.6 | 176.7 | 32.8 | -35.6 | 0 | 0 | 0 | 111.4 | L62 V65 A71 G75 | L62-P73 HydrophobicContact CB-CB 4.43Å; L62-P73 HydrophobicContact CB-CG 3.87Å; L62-P73 HydrophobicContact CD2-CB 3.9Å; L62-P73 HydrophobicContact CD2-CG 4.11Å; V65-P73 HydrophobicContact CB-CB 4.06Å; V65-P73 HydrophobicContact CG1-CB 3.8Å; A71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-G75 PolarHBondContact O-N 2.76Å; P73-G75 VanDerWaalsContact O-N 3.09Å |
| 74 | G | 84.9 | Confident | 92.6 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 68% | 0.68 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 71 | 2.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | F78 | G74-F78 WeakPolarHBondContact O-CB 3.28Š|
| 75 | G | 90 | Very high | 92.6 | Very high | 35 Ų | 35 | 55 Ų | 55 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | trans | 82.7 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q72 P73 F78 C79 | Q72-G75 PolarHBondContact NE2-O 3.2Å; P73-G75 PolarHBondContact O-N 2.76Å; P73-G75 VanDerWaalsContact O-N 3.09Å; G75-F78 PolarHBondContact O-N 3.1Å; G75-C79 WeakPolarHBondContact O-CB 3.29Å; G75-C79 PolarHBondContact O-N 2.98Å; G75-C79 VanDerWaalsContact O-N 3.08Å | ||
| 76 | D | 90.1 | Very high | 92.6 | Very high | 113 Ų | 113 | 52.1 Ų | 52.1 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64 | -48.7 | -168.5 | -68.7 | -25.2 | 0 | 0 | 0 | 112.5 | Q72 F78 C79 Q80 | Q72-D76 VanDerWaalsContact NE2-N 3.17Å; Q72-D76 PolarHBondContact NE2-OD1 3.35Å; D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 2.68Å; D76-C79 PolarHBondContact O-N 3.46Å; D76-Q80 WeakPolarHBondContact O-CG 3.4Å; D76-Q80 PolarHBondContact O-N 3.41Å |
| 77 | G | 90.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C79 Q80 I81 | G77-C79 VanDerWaalsContact C-N 3.35Å; G77-C79 PolarHBondContact O-N 2.83Å; G77-Q80 PolarHBondContact O-N 3.4Å; G77-I81 WeakPolarHBondContact O-CG1 3.48Å; G77-I81 PolarHBondContact O-N 3.14Å; G77-I81 VanDerWaalsContact O-N 3.13Å |
| 78 | F | 91.6 | Very high | 92.9 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.9 | -164.5 | -95.5 | 0 | 0 | 0 | 111.5 | L62 G74 G75 D76 I81 A82 | L62-F78 HydrophobicContact CD1-CD1 3.92Å; L62-F78 HydrophobicContact CD1-CE1 3.37Å; L62-F78 HydrophobicContact CD1-CZ 4.39Å; L62-F78 HydrophobicContact CD2-CD1 3.93Å; L62-F78 HydrophobicContact CD2-CE1 3.32Å; L62-F78 HydrophobicContact CD2-CZ 4.33Å; L62-F78 HydrophobicContact CG-CE1 3.84Å; G74-F78 WeakPolarHBondContact O-CB 3.28Å; G75-F78 PolarHBondContact O-N 3.1Å; D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 2.68Å; F78-I81 PolarHBondContact O-N 2.93Å; F78-A82 WeakPolarHBondContact O-CB 3.37Å; F78-A82 PolarHBondContact O-N 3.35Å |
| 79 | C | 93.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -31.3 | 178.5 | -164.7 | 0 | 0 | 0 | 0 | 113.1 | Q72 G75 D76 G77 A82 G83 G148 Y149 C156 | Q72-C79 HydrophobicContact CG-CB 4.25Å; G75-C79 WeakPolarHBondContact O-CB 3.29Å; G75-C79 PolarHBondContact O-N 2.98Å; G75-C79 VanDerWaalsContact O-N 3.08Å; D76-C79 PolarHBondContact O-N 3.46Å; G77-C79 VanDerWaalsContact C-N 3.35Å; G77-C79 PolarHBondContact O-N 2.83Å; C79-A82 PolarHBondContact O-N 3.35Å; C79-G83 PolarHBondContact O-N 3.2Å; C79-G148 VanDerWaalsContact SG-C 3.6Å; C79-Y149 WeakPolarHBondContact SG-CA 3.45Å; C79-Y149 VanDerWaalsContact SG-CB 3.59Å; C79-Y149 PolarHBondContact SG-N 3.44Å; C79-C156 WeakPolarHBondContact CA-SG 3.38Å; C79-C156 HydrophobicContact CB-CB 4.13Å; C79-C156 WeakPolarHBondContact CB-SG 3.15Å; C79-C156 WeakPolarHBondContact O-CB 3.38Å; C79-C156 VanDerWaalsContact SG-CA 3.55Å; C79-C156 WeakPolarHBondContact SG-CB 3.42Å; C79-C156 CovalentContact SG-SG 2.03Å; C79-C156 PolarHBondContact SG-SG 2.92Å |
| 80 | Q | 94 | Very high | 93.3 | Very high | 96 Ų | 96 | 47 Ų | 47 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 171.3 | -73.7 | 176.7 | 2.6 | 0 | 0 | 111.5 | D76 G77 G83 F84 V147 | D76-Q80 WeakPolarHBondContact O-CG 3.4Å; D76-Q80 PolarHBondContact O-N 3.41Å; G77-Q80 PolarHBondContact O-N 3.4Å; Q80-G83 PolarHBondContact O-N 3.42Å; Q80-F84 WeakPolarHBondContact O-CB 3.39Å; Q80-F84 PolarHBondContact O-N 2.91Å; Q80-V147 HydrophobicContact CB-CG2 4.26Å; Q80-V147 HydrophobicContact CG-CG2 4.38Å |
| 81 | I | 94.9 | Very high | 93.6 | Very high | 115 Ų | 115 | 40.3 Ų | 40.3 | 59% | 0.59 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.4 | -45.8 | 176 | -65.6 | 166.8 | 0 | 0 | 0 | 110.5 | G77 F78 F84 L85 | G77-I81 WeakPolarHBondContact O-CG1 3.48Å; G77-I81 PolarHBondContact O-N 3.14Å; G77-I81 VanDerWaalsContact O-N 3.13Å; F78-I81 PolarHBondContact O-N 2.93Å; I81-F84 PolarHBondContact O-N 3.5Å; I81-L85 VanDerWaalsContact O-CB 3.29Å; I81-L85 WeakPolarHBondContact O-CB 3.32Å; I81-L85 PolarHBondContact O-N 2.87Å |
| 82 | A | 95.8 | Very high | 94 | Very high | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | N59 L62 F78 C79 F84 L85 E86 C156 | N59-A82 PolarHBondContact OD1-O 3.43Å; L62-A82 HydrophobicContact CD1-CB 3.41Å; L62-A82 VanDerWaalsContact CD1-CB 3.41Å; F78-A82 WeakPolarHBondContact O-CB 3.37Å; F78-A82 PolarHBondContact O-N 3.35Å; C79-A82 PolarHBondContact O-N 3.35Å; A82-F84 PolarHBondContact O-N 2.79Å; A82-L85 PolarHBondContact O-N 3.43Å; A82-E86 WeakPolarHBondContact O-CB 3.31Å; A82-E86 PolarHBondContact O-N 2.85Å; A82-C156 HydrophobicContact CB-CB 3.68Å |
| 83 | G | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C79 Q80 T87 C156 | C79-G83 PolarHBondContact O-N 3.2Å; Q80-G83 PolarHBondContact O-N 3.42Å; G83-T87 WeakPolarHBondContact O-CB 3.45Å; G83-T87 PolarHBondContact O-N 3.49Å; G83-T87 PolarHBondContact O-OG1 3.22Å; G83-C156 WeakPolarHBondContact CA-O 3.29Å |
| 84 | F | 97.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 35.1 Ų | 35.1 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -51.9 | 170.2 | 169 | -91.9 | 0 | 0 | 0 | 110.9 | Q80 I81 A82 E86 T87 F88 M135 S138 A142 | Q80-F84 WeakPolarHBondContact O-CB 3.39Å; Q80-F84 PolarHBondContact O-N 2.91Å; I81-F84 PolarHBondContact O-N 3.5Å; A82-F84 PolarHBondContact O-N 2.79Å; F84-E86 VanDerWaalsContact C-N 3.33Å; F84-E86 PolarHBondContact O-N 2.96Å; F84-T87 PolarHBondContact O-N 3.3Å; F84-F88 WeakPolarHBondContact O-CB 3.39Å; F84-F88 PolarHBondContact O-N 2.97Å; F84-M135 HydrophobicContact CE2-SD 4.42Å; F84-M135 HydrophobicContact CZ-SD 3.74Å; F84-S138 WeakPolarHBondContact CD2-O 3.42Å; F84-A142 HydrophobicContact CD2-CB 3.93Å |
| 85 | L | 97.4 | Very high | 94.9 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 17% | 0.173 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | -176.4 | -174.7 | 62.9 | 0 | 0 | 0 | 111.3 | L54 A58 I81 A82 F88 L89 | L54-L85 HydrophobicContact CD1-CD2 4.45Å; L54-L85 HydrophobicContact CD2-CD1 3.84Å; L54-L85 HydrophobicContact CD2-CD2 4.46Å; L54-L85 HydrophobicContact CG-CD1 4.3Å; L54-L85 HydrophobicContact CG-CD2 4.12Å; A58-L85 HydrophobicContact CB-CD2 3.54Å; I81-L85 VanDerWaalsContact O-CB 3.29Å; I81-L85 WeakPolarHBondContact O-CB 3.32Å; I81-L85 PolarHBondContact O-N 2.87Å; A82-L85 PolarHBondContact O-N 3.43Å; L85-F88 HydrophobicContact CD1-CD1 4.49Å; L85-F88 PolarHBondContact O-N 3.36Å; L85-L89 HydrophobicContact CD1-CD1 3.65Å; L85-L89 HydrophobicContact CD1-CD2 4.3Å; L85-L89 HydrophobicContact CD1-CG 3.79Å; L85-L89 HydrophobicContact CD2-CD1 4.32Å; L85-L89 HydrophobicContact CG-CD1 3.62Å; L85-L89 HydrophobicContact CG-CG 4.12Å; L85-L89 VanDerWaalsContact O-CB 3.28Å; L85-L89 WeakPolarHBondContact O-CB 3.46Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3Å |
| 86 | E | 96.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 174.7 | -177.7 | 175.6 | -116.4 | 0 | 0 | 111.7 | L55 A82 F84 F88 S90 C156 T157 K280 Y284 | L55-E86 HydrophobicContact CD1-CG 4.19Å; A82-E86 WeakPolarHBondContact O-CB 3.31Å; A82-E86 PolarHBondContact O-N 2.85Å; F84-E86 VanDerWaalsContact C-N 3.33Å; F84-E86 PolarHBondContact O-N 2.96Å; E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 PolarHBondContact O-N 3.42Å; E86-S90 WeakPolarHBondContact O-CB 3.36Å; E86-S90 PolarHBondContact O-N 3.01Å; E86-C156 VanDerWaalsContact OE2-O 3.09Å; E86-T157 WeakPolarHBondContact OE2-CB 3.4Å; E86-T157 PolarHBondContact OE2-OG1 3Å; E86-K280 WeakPolarHBondContact OE1-CE 3.46Å; E86-K280 IonicContact OE1-NZ 2.73Å; E86-K280 PolarHBondContact OE1-NZ 3.2Å; E86-K280 IonicContact OE2-NZ 2.53Å; E86-K280 PolarHBondContact OE2-NZ 2.91Å; E86-Y284 WeakPolarHBondContact OE1-CE1 3.3Å; E86-Y284 PolarHBondContact OE1-OH 3.38Å |
| 87 | T | 96.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 179.8 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | G83 F84 T91 S138 L158 F176 | G83-T87 WeakPolarHBondContact O-CB 3.45Å; G83-T87 PolarHBondContact O-N 3.49Å; G83-T87 PolarHBondContact O-OG1 3.22Å; F84-T87 PolarHBondContact O-N 3.3Å; T87-T91 WeakPolarHBondContact O-CB 3.19Å; T87-T91 PolarHBondContact O-N 3.39Å; T87-T91 PolarHBondContact O-OG1 3.14Å; T87-S138 VanDerWaalsContact C-OG 3.28Å; T87-S138 WeakPolarHBondContact CG2-OG 3.12Å; T87-L158 HydrophobicContact CG2-CD2 4.42Å; T87-F176 HydrophobicContact CG2-CE1 4.31Å; T87-F176 HydrophobicContact CG2-CE2 4.23Å; T87-F176 HydrophobicContact CG2-CZ 3.76Å |
| 88 | F | 98.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 4% | 0.044 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.6 | -55.9 | 179.5 | 170.4 | -107.7 | 0 | 0 | 0 | 111.5 | F84 L85 E86 T91 N92 W131 S134 M135 S138 | F84-F88 WeakPolarHBondContact O-CB 3.39Å; F84-F88 PolarHBondContact O-N 2.97Å; L85-F88 HydrophobicContact CD1-CD1 4.49Å; L85-F88 PolarHBondContact O-N 3.36Å; E86-F88 VanDerWaalsContact C-N 3.28Å; E86-F88 PolarHBondContact O-N 3.42Å; F88-T91 PolarHBondContact O-N 3.45Å; F88-N92 VanDerWaalsContact O-CB 3.3Å; F88-N92 WeakPolarHBondContact O-CB 3.34Å; F88-N92 PolarHBondContact O-N 3.47Å; F88-W131 HydrophobicContact CE1-CH2 4.37Å; F88-W131 HydrophobicContact CE1-CZ3 4.21Å; F88-W131 HydrophobicContact CE2-CE3 4.15Å; F88-W131 HydrophobicContact CE2-CZ3 4.48Å; F88-W131 HydrophobicContact CZ-CD2 4.04Å; F88-W131 AromaticContact CZ-CE3 3.56Å; F88-W131 HydrophobicContact CZ-CE3 3.56Å; F88-W131 AromaticContact CZ-CH2 4Å; F88-W131 HydrophobicContact CZ-CH2 4Å; F88-W131 HydrophobicContact CZ-CZ2 4.43Å; F88-W131 AromaticContact CZ-CZ3 3.53Å; F88-W131 HydrophobicContact CZ-CZ3 3.53Å; F88-S134 WeakPolarHBondContact CD2-OG 3.28Å; F88-S134 WeakPolarHBondContact CE2-OG 3.38Å; F88-S134 WeakPolarHBondContact O-CB 3.43Å; F88-M135 HydrophobicContact CD2-CB 4.46Å; F88-M135 HydrophobicContact CD2-CE 4.14Å; F88-M135 HydrophobicContact CD2-SD 4.32Å; F88-M135 HydrophobicContact CE2-CB 4.3Å; F88-M135 HydrophobicContact CE2-CE 3.68Å; F88-M135 HydrophobicContact CE2-SD 4.39Å; F88-M135 HydrophobicContact CZ-CE 4.06Å; F88-S138 WeakPolarHBondContact CA-OG 3.36Å; F88-S138 WeakPolarHBondContact CB-OG 3.3Å; F88-S138 PolarHBondContact N-OG 2.99Å |
| 89 | L | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | -174.7 | -64.8 | 178.3 | 0 | 0 | 0 | 112.3 | C51 L54 L55 L85 T91 N92 S93 | C51-L89 HydrophobicContact CB-CB 4.48Å; C51-L89 HydrophobicContact CB-CD2 4.12Å; L54-L89 HydrophobicContact CB-CD1 3.72Å; L54-L89 HydrophobicContact CD2-CD1 3.97Å; L54-L89 HydrophobicContact CD2-CD2 4.2Å; L54-L89 HydrophobicContact CG-CD1 3.71Å; L55-L89 HydrophobicContact CB-CD1 4.19Å; L85-L89 HydrophobicContact CD1-CD1 3.65Å; L85-L89 HydrophobicContact CD1-CD2 4.3Å; L85-L89 HydrophobicContact CD1-CG 3.79Å; L85-L89 HydrophobicContact CD2-CD1 4.32Å; L85-L89 HydrophobicContact CG-CD1 3.62Å; L85-L89 HydrophobicContact CG-CG 4.12Å; L85-L89 VanDerWaalsContact O-CB 3.28Å; L85-L89 WeakPolarHBondContact O-CB 3.46Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 3Å; L89-T91 VanDerWaalsContact C-N 3.32Å; L89-T91 PolarHBondContact O-N 2.9Å; L89-N92 PolarHBondContact O-N 2.9Å; L89-S93 WeakPolarHBondContact O-CB 3.49Å; L89-S93 PolarHBondContact O-N 3.17Å; L89-S93 PolarHBondContact O-OG 2.86Å |
| 90 | S | 95.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 18.7 Ų | 18.7 | 21% | 0.21 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.5 | -42 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | E86 M94 | E86-S90 WeakPolarHBondContact O-CB 3.36Å; E86-S90 PolarHBondContact O-N 3.01Å; S90-M94 WeakPolarHBondContact O-CB 3.24Å; S90-M94 PolarHBondContact O-N 3.29Å |
| 91 | T | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | T87 F88 L89 M94 L95 F176 T180 | T87-T91 WeakPolarHBondContact O-CB 3.19Å; T87-T91 PolarHBondContact O-N 3.39Å; T87-T91 PolarHBondContact O-OG1 3.14Å; F88-T91 PolarHBondContact O-N 3.45Å; L89-T91 VanDerWaalsContact C-N 3.32Å; L89-T91 PolarHBondContact O-N 2.9Å; T91-M94 WeakPolarHBondContact O-CB 3.21Å; T91-M94 PolarHBondContact O-N 3.47Å; T91-L95 HydrophobicContact CG2-CD1 4.3Å; T91-L95 WeakPolarHBondContact O-CG 3.15Å; T91-L95 PolarHBondContact O-N 2.94Å; T91-F176 HydrophobicContact CG2-CE2 4.2Å; T91-F176 VanDerWaalsContact OG1-CE2 3.24Å; T91-F176 WeakPolarHBondContact OG1-CE2 3.03Å; T91-F176 WeakPolarHBondContact OG1-CZ 3.43Å; T91-T180 HydrophobicContact CG2-CG2 3.66Å |
| 92 | N | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | -179.6 | -162 | -52.1 | 0 | 0 | 0 | 111.6 | N47 F88 L89 M94 L95 S96 W131 S134 | N47-N92 PolarHBondContact ND2-OD1 3.49Å; F88-N92 VanDerWaalsContact O-CB 3.3Å; F88-N92 WeakPolarHBondContact O-CB 3.34Å; F88-N92 PolarHBondContact O-N 3.47Å; L89-N92 PolarHBondContact O-N 2.9Å; N92-M94 VanDerWaalsContact C-N 3.3Å; N92-M94 PolarHBondContact O-N 2.85Å; N92-L95 PolarHBondContact O-N 3.45Å; N92-S96 VanDerWaalsContact O-CB 3.28Å; N92-S96 WeakPolarHBondContact O-CB 3.43Å; N92-S96 PolarHBondContact O-N 3.44Å; N92-S96 PolarHBondContact O-OG 3.45Å; N92-S96 PolarHBondContact OD1-OG 2.76Å; N92-W131 VanDerWaalsContact ND2-CD1 3.3Å; N92-W131 PolarHBondContact ND2-NE1 3.27Å; N92-S134 PolarHBondContact ND2-OG 3.13Å |
| 93 | S | 95.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 11.3 Ų | 11.3 | 3% | 0.028 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 172.6 | -71.9 | 0 | 0 | 0 | 0 | 111.4 | C51 N52 L89 L95 S96 M97 | C51-S93 WeakPolarHBondContact CB-OG 3.24Å; N52-S93 PolarHBondContact OD1-OG 3.38Å; L89-S93 WeakPolarHBondContact O-CB 3.49Å; L89-S93 PolarHBondContact O-N 3.17Å; L89-S93 PolarHBondContact O-OG 2.86Å; S93-L95 PolarHBondContact O-N 2.94Å; S93-S96 PolarHBondContact O-N 2.86Å; S93-M97 WeakPolarHBondContact O-CE 3.34Å; S93-M97 WeakPolarHBondContact O-CG 3.13Å; S93-M97 PolarHBondContact O-N 2.72Å; S93-M97 VanDerWaalsContact O-N 3.1Å |
| 94 | M | 94.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 13.1 Ų | 13.1 | 4% | 0.044 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 179.6 | -155.7 | 160.8 | 56.4 | 0 | 0 | 112.5 | S90 T91 N92 M97 A98 T180 F181 F250 F254 | S90-M94 WeakPolarHBondContact O-CB 3.24Å; S90-M94 PolarHBondContact O-N 3.29Å; T91-M94 WeakPolarHBondContact O-CB 3.21Å; T91-M94 PolarHBondContact O-N 3.47Å; N92-M94 VanDerWaalsContact C-N 3.3Å; N92-M94 PolarHBondContact O-N 2.85Å; M94-M97 VanDerWaalsContact CA-CE 3.49Å; M94-M97 HydrophobicContact CB-CE 4.37Å; M94-M97 HydrophobicContact CG-CE 4.22Å; M94-M97 PolarHBondContact O-N 3.42Å; M94-A98 PolarHBondContact O-N 3.4Å; M94-T180 HydrophobicContact CB-CG2 4.45Å; M94-T180 VanDerWaalsContact CE-C 3.4Å; M94-T180 HydrophobicContact CE-CG2 3.14Å; M94-F181 HydrophobicContact CE-CB 3.94Å; M94-F181 VanDerWaalsContact CE-N 3.34Å; M94-F181 HydrophobicContact SD-CB 4.21Å; M94-F181 HydrophobicContact SD-CD2 3.9Å; M94-F250 HydrophobicContact CG-CE2 3.34Å; M94-F250 HydrophobicContact CG-CZ 3.49Å; M94-F250 VanDerWaalsContact CG-CZ 3.49Å; M94-F250 HydrophobicContact SD-CE2 4.08Å; M94-F250 HydrophobicContact SD-CZ 3.64Å; M94-F254 HydrophobicContact SD-CD1 4.46Å; M94-F254 HydrophobicContact SD-CG 4.29Å |
| 95 | L | 95 | Very high | 93.1 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69.8 | -34.1 | 177.5 | -63.2 | 173.1 | 0 | 0 | 0 | 112.6 | T91 N92 S93 M97 A98 A99 Y129 T130 H133 T180 L183 | T91-L95 HydrophobicContact CG2-CD1 4.3Å; T91-L95 WeakPolarHBondContact O-CG 3.15Å; T91-L95 PolarHBondContact O-N 2.94Å; N92-L95 PolarHBondContact O-N 3.45Å; S93-L95 PolarHBondContact O-N 2.94Å; L95-M97 VanDerWaalsContact C-N 3.26Å; L95-M97 PolarHBondContact O-N 3.12Å; L95-A98 WeakPolarHBondContact O-CB 3.07Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-A98 VanDerWaalsContact O-N 3.16Å; L95-A99 PolarHBondContact O-N 3.29Å; L95-Y129 HydrophobicContact CD1-CE1 4.5Å; L95-Y129 HydrophobicContact CD2-CE1 4.49Å; L95-T130 HydrophobicContact CB-CG2 3.57Å; L95-H133 HydrophobicContact CD1-CB 3.7Å; L95-T180 HydrophobicContact CD2-CG2 4.13Å; L95-T180 HydrophobicContact CG-CG2 4.13Å; L95-L183 HydrophobicContact CD2-CD2 3.99Å |
| 96 | S | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.2 | -34.7 | 175.7 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | N47 N92 S93 A99 L100 | N47-S96 PolarHBondContact ND2-OG 3.21Å; N92-S96 VanDerWaalsContact O-CB 3.28Å; N92-S96 WeakPolarHBondContact O-CB 3.43Å; N92-S96 PolarHBondContact O-N 3.44Å; N92-S96 PolarHBondContact O-OG 3.45Å; N92-S96 PolarHBondContact OD1-OG 2.76Å; S93-S96 PolarHBondContact O-N 2.86Å; S96-A99 WeakPolarHBondContact O-CB 3.34Å; S96-A99 PolarHBondContact O-N 3.43Å; S96-L100 WeakPolarHBondContact O-CB 3.21Å; S96-L100 WeakPolarHBondContact O-CG 3.16Å; S96-L100 PolarHBondContact O-N 3.36Å |
| 97 | M | 90.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | 174.3 | -65.1 | -179.3 | -73.4 | 0 | 0 | 112.9 | L48 S93 M94 L95 A99 L100 S101 F250 F254 K286 Y294 | L48-M97 HydrophobicContact CD1-CG 4.4Å; S93-M97 WeakPolarHBondContact O-CE 3.34Å; S93-M97 WeakPolarHBondContact O-CG 3.13Å; S93-M97 PolarHBondContact O-N 2.72Å; S93-M97 VanDerWaalsContact O-N 3.1Å; M94-M97 VanDerWaalsContact CA-CE 3.49Å; M94-M97 HydrophobicContact CB-CE 4.37Å; M94-M97 HydrophobicContact CG-CE 4.22Å; M94-M97 PolarHBondContact O-N 3.42Å; L95-M97 VanDerWaalsContact C-N 3.26Å; L95-M97 PolarHBondContact O-N 3.12Å; M97-A99 VanDerWaalsContact C-N 3.31Å; M97-L100 PolarHBondContact O-N 3.49Å; M97-S101 PolarHBondContact O-N 3.12Å; M97-F250 HydrophobicContact CE-CD2 3.34Å; M97-F250 HydrophobicContact CE-CE2 3.54Å; M97-F250 HydrophobicContact SD-CD2 3.92Å; M97-F254 HydrophobicContact CE-CD2 4.06Å; M97-F254 HydrophobicContact CE-CE2 3.31Å; M97-F254 HydrophobicContact CE-CZ 4.05Å; M97-F254 HydrophobicContact SD-CE2 4.34Å; M97-K286 HydrophobicContact SD-CD 4.3Å; M97-K286 WeakPolarHBondContact SD-CE 3.22Å; M97-K286 HydrophobicContact SD-CG 4.33Å; M97-K286 PolarHBondContact SD-NZ 3.29Å; M97-Y294 HydrophobicContact CG-CE2 4.35Å; M97-Y294 WeakPolarHBondContact CG-OH 3.49Å |
| 98 | A | 92.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 6% | 0.058 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M94 L95 S101 I102 V187 | M94-A98 PolarHBondContact O-N 3.4Å; L95-A98 WeakPolarHBondContact O-CB 3.07Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-A98 VanDerWaalsContact O-N 3.16Å; A98-S101 PolarHBondContact O-N 3.45Å; A98-S101 PolarHBondContact O-OG 3.36Å; A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 3.11Å; A98-V187 HydrophobicContact CB-CB 4.19Å; A98-V187 HydrophobicContact CB-CG1 3.92Å |
| 99 | A | 93.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 16.4 Ų | 16.4 | 5% | 0.05 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F44 L95 S96 M97 S101 I102 D103 V126 | F44-A99 HydrophobicContact CD1-CB 3.95Å; F44-A99 HydrophobicContact CE1-CB 3.84Å; F44-A99 HydrophobicContact CZ-CB 4.32Å; L95-A99 PolarHBondContact O-N 3.29Å; S96-A99 WeakPolarHBondContact O-CB 3.34Å; S96-A99 PolarHBondContact O-N 3.43Å; M97-A99 VanDerWaalsContact C-N 3.31Å; A99-S101 VanDerWaalsContact C-N 3.31Å; A99-S101 PolarHBondContact O-N 2.88Å; A99-I102 PolarHBondContact O-N 3.46Å; A99-D103 PolarHBondContact O-N 3.07Å; A99-V126 HydrophobicContact CB-CG1 3.46Å; A99-V126 VanDerWaalsContact CB-CG1 3.46Å |
| 100 | L | 90.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 175.2 | -78.6 | 166.4 | 0 | 0 | 0 | 112.4 | F44 N45 L48 S96 M97 D103 R104 Y294 | F44-L100 HydrophobicContact CB-CD1 4.45Å; F44-L100 HydrophobicContact CB-CD2 3.57Å; F44-L100 HydrophobicContact CB-CG 3.75Å; F44-L100 HydrophobicContact CD2-CD2 4.3Å; F44-L100 HydrophobicContact CG-CD2 4.34Å; F44-L100 HydrophobicContact CG-CG 4.49Å; N45-L100 WeakPolarHBondContact OD1-CD2 3.41Å; L48-L100 HydrophobicContact CD2-CD1 3.88Å; S96-L100 WeakPolarHBondContact O-CB 3.21Å; S96-L100 WeakPolarHBondContact O-CG 3.16Å; S96-L100 PolarHBondContact O-N 3.36Å; M97-L100 PolarHBondContact O-N 3.49Å; L100-D103 PolarHBondContact O-N 3.2Å; L100-R104 VanDerWaalsContact O-CG 3.29Å; L100-R104 WeakPolarHBondContact O-CG 3.44Å; L100-R104 PolarHBondContact O-N 2.86Å; L100-Y294 HydrophobicContact CB-CE1 4.26Å; L100-Y294 HydrophobicContact CD1-CD1 3.91Å; L100-Y294 HydrophobicContact CD1-CD2 4.42Å; L100-Y294 HydrophobicContact CD1-CE1 3.95Å; L100-Y294 HydrophobicContact CD1-CE2 4.48Å; L100-Y294 HydrophobicContact CD1-CG 4.17Å |
| 101 | S | 87.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.5 | -36.9 | 177.4 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | M97 A98 A99 R104 W105 L188 T191 | M97-S101 PolarHBondContact O-N 3.12Å; A98-S101 PolarHBondContact O-N 3.45Å; A98-S101 PolarHBondContact O-OG 3.36Å; A99-S101 VanDerWaalsContact C-N 3.31Å; A99-S101 PolarHBondContact O-N 2.88Å; S101-R104 PolarHBondContact O-N 3.3Å; S101-W105 WeakPolarHBondContact O-CB 3.36Å; S101-W105 PolarHBondContact O-N 2.87Å; S101-L188 VanDerWaalsContact CB-CD2 3.48Å; S101-T191 PolarHBondContact OG-OG1 2.94Å |
| 102 | I | 89.6 | Confident | 87 | Confident | 58 Ų | 58 | 28.9 Ų | 28.9 | 30% | 0.297 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.5 | -48.9 | 171.2 | -68.1 | 167.5 | 0 | 0 | 0 | 110.4 | A98 A99 R104 W105 I106 V187 T191 | A98-I102 WeakPolarHBondContact O-CG1 3.47Å; A98-I102 PolarHBondContact O-N 3.11Å; A99-I102 PolarHBondContact O-N 3.46Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.02Å; I102-W105 HydrophobicContact CG2-CE3 4.34Å; I102-W105 WeakPolarHBondContact O-CB 3.48Å; I102-W105 PolarHBondContact O-N 2.83Å; I102-W105 VanDerWaalsContact O-N 3.15Å; I102-I106 HydrophobicContact CG2-CD1 3.76Å; I102-I106 HydrophobicContact CG2-CG1 4.41Å; I102-I106 WeakPolarHBondContact O-CG1 3.38Å; I102-I106 PolarHBondContact O-N 2.9Å; I102-V187 HydrophobicContact CD1-CG1 3.6Å; I102-V187 HydrophobicContact CG1-CG1 3.54Å; I102-T191 HydrophobicContact CG1-CG2 3.91Å |
| 103 | D | 89.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.7 | -47.7 | 175.9 | 169.1 | 76.5 | 0 | 0 | 0 | 111.4 | P41 F44 A99 L100 W105 I106 A107 Y114 M118 | P41-D103 VanDerWaalsContact CG-OD2 3.31Å; P41-D103 WeakPolarHBondContact CG-OD2 3.37Å; F44-D103 HydrophobicContact CE2-CB 4.32Å; A99-D103 PolarHBondContact O-N 3.07Å; L100-D103 PolarHBondContact O-N 3.2Å; D103-W105 VanDerWaalsContact C-N 3.34Å; D103-W105 PolarHBondContact O-N 2.78Å; D103-I106 PolarHBondContact O-N 3.3Å; D103-A107 WeakPolarHBondContact O-CB 3.5Å; D103-A107 PolarHBondContact O-N 3.47Å; D103-Y114 WeakPolarHBondContact OD1-CE2 3.33Å; D103-Y114 PolarHBondContact OD1-OH 2.59Å; D103-M118 HydrophobicContact CB-CE 4.48Å |
| 104 | R | 83.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.8 | -67.3 | -59 | 143.4 | -152.7 | -3.5 | 112.5 | P41 L100 S101 I102 A107 V108 F246 R298 | P41-R104 VanDerWaalsContact CB-NH2 3.31Å; L100-R104 VanDerWaalsContact O-CG 3.29Å; L100-R104 WeakPolarHBondContact O-CG 3.44Å; L100-R104 PolarHBondContact O-N 2.86Å; S101-R104 PolarHBondContact O-N 3.3Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.02Å; R104-A107 PolarHBondContact O-N 3.34Å; R104-V108 WeakPolarHBondContact O-CB 3.47Å; R104-V108 VanDerWaalsContact O-CG2 3.24Å; R104-V108 WeakPolarHBondContact O-CG2 3.37Å; R104-V108 PolarHBondContact O-N 2.78Å; R104-F246 HydrophobicContact CG-CE2 3.76Å; R104-F246 HydrophobicContact CG-CZ 4.39Å; R104-R298 VanDerWaalsContact CZ-CZ 3.41Å; R104-R298 VanDerWaalsContact NH2-CZ 3.34Å; R104-R298 VanDerWaalsContact NH2-NH2 3.17Å |
| 105 | W | 83.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 21% | 0.205 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 176 | 163.9 | 60.3 | 0 | 0 | 0 | 111.3 | S101 I102 D103 A107 V108 V109 F110 F190 T191 K194 V195 | S101-W105 WeakPolarHBondContact O-CB 3.36Å; S101-W105 PolarHBondContact O-N 2.87Å; I102-W105 HydrophobicContact CG2-CE3 4.34Å; I102-W105 WeakPolarHBondContact O-CB 3.48Å; I102-W105 PolarHBondContact O-N 2.83Å; I102-W105 VanDerWaalsContact O-N 3.15Å; D103-W105 VanDerWaalsContact C-N 3.34Å; D103-W105 PolarHBondContact O-N 2.78Å; W105-A107 PolarHBondContact O-N 2.99Å; W105-V108 PolarHBondContact O-N 3.41Å; W105-V109 HydrophobicContact CG-CG2 4.44Å; W105-V109 WeakPolarHBondContact O-CB 3.44Å; W105-V109 WeakPolarHBondContact O-CG2 3.15Å; W105-V109 PolarHBondContact O-N 3.39Å; W105-F110 HydrophobicContact CZ2-CE2 4.46Å; W105-F190 HydrophobicContact CH2-CE1 4.49Å; W105-T191 HydrophobicContact CB-CG2 3.87Å; W105-T191 HydrophobicContact CD2-CG2 4.36Å; W105-T191 HydrophobicContact CE3-CG2 4.31Å; W105-T191 HydrophobicContact CG-CG2 4.19Å; W105-K194 HydrophobicContact CZ2-CG 4.48Å; W105-V195 HydrophobicContact CB-CG2 4.12Å; W105-V195 HydrophobicContact CG-CG2 4.3Å |
| 106 | I | 85.2 | Confident | 84.7 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 178.4 | -64.4 | 165.7 | 0 | 0 | 0 | 110.5 | I102 D103 V108 V109 F110 Y114 K117 M118 | I102-I106 HydrophobicContact CG2-CD1 3.76Å; I102-I106 HydrophobicContact CG2-CG1 4.41Å; I102-I106 WeakPolarHBondContact O-CG1 3.38Å; I102-I106 PolarHBondContact O-N 2.9Å; D103-I106 PolarHBondContact O-N 3.3Å; I106-V108 VanDerWaalsContact C-N 3.31Å; I106-V108 PolarHBondContact O-N 2.98Å; I106-V109 PolarHBondContact O-N 3.4Å; I106-F110 HydrophobicContact CG2-CD2 4.48Å; I106-F110 WeakPolarHBondContact O-CA 3.24Å; I106-F110 WeakPolarHBondContact O-CB 3.13Å; I106-F110 PolarHBondContact O-N 3.37Å; I106-Y114 HydrophobicContact CG2-CD2 4.09Å; I106-K117 HydrophobicContact CG2-CB 3.8Å; I106-M118 HydrophobicContact CD1-CE 3.63Å |
| 107 | A | 82.8 | Confident | 84.2 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D103 R104 W105 Y114 | D103-A107 WeakPolarHBondContact O-CB 3.5Å; D103-A107 PolarHBondContact O-N 3.47Å; R104-A107 PolarHBondContact O-N 3.34Å; W105-A107 PolarHBondContact O-N 2.99Å; A107-Y114 HydrophobicContact CB-CD2 3.78Å; A107-Y114 HydrophobicContact CB-CE2 3.93Å |
| 108 | V | 74.4 | Confident | 84.1 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -80.4 | -39.2 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 112 | R104 W105 I106 V195 A239 | R104-V108 WeakPolarHBondContact O-CB 3.47Å; R104-V108 VanDerWaalsContact O-CG2 3.24Å; R104-V108 WeakPolarHBondContact O-CG2 3.37Å; R104-V108 PolarHBondContact O-N 2.78Å; W105-V108 PolarHBondContact O-N 3.41Å; I106-V108 VanDerWaalsContact C-N 3.31Å; I106-V108 PolarHBondContact O-N 2.98Å; V108-V195 HydrophobicContact CB-CG2 4.31Å; V108-V195 HydrophobicContact CG1-CG1 3.72Å; V108-V195 HydrophobicContact CG1-CG2 4.24Å; V108-A239 HydrophobicContact CG2-CB 4.41Å |
| 109 | V | 75.6 | Confident | 84 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -84.2 | -30.9 | -176 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | W105 I106 P111 V195 V198 | W105-V109 HydrophobicContact CG-CG2 4.44Å; W105-V109 WeakPolarHBondContact O-CB 3.44Å; W105-V109 WeakPolarHBondContact O-CG2 3.15Å; W105-V109 PolarHBondContact O-N 3.39Å; I106-V109 PolarHBondContact O-N 3.4Å; V109-P111 VanDerWaalsContact C-CD 3.49Å; V109-V195 HydrophobicContact CG2-CG2 4.31Å; V109-V198 HydrophobicContact CB-CG1 4.41Å; V109-V198 HydrophobicContact CB-CG2 4.37Å; V109-V198 HydrophobicContact CG1-CG1 4.24Å; V109-V198 HydrophobicContact CG1-CG2 3.75Å; V109-V198 HydrophobicContact CG2-CB 3.97Å; V109-V198 HydrophobicContact CG2-CG1 4.02Å; V109-V198 HydrophobicContact CG2-CG2 3.76Å |
| 110 | F | 78.4 | Confident | 83.9 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | trans | -129.9 | 60 | -175.9 | -54.1 | -73.1 | 0 | 0 | 0 | 112.2 | W105 I106 L112 R113 Y114 | W105-F110 HydrophobicContact CZ2-CE2 4.46Å; I106-F110 HydrophobicContact CG2-CD2 4.48Å; I106-F110 WeakPolarHBondContact O-CA 3.24Å; I106-F110 WeakPolarHBondContact O-CB 3.13Å; I106-F110 PolarHBondContact O-N 3.37Å; F110-L112 PolarHBondContact O-N 3.27Å; F110-R113 HydrophobicContact CB-CB 4.39Å; F110-R113 CarbonylContact O-C 3.48Å; F110-R113 PolarHBondContact O-N 3.39Å; F110-R113 VanDerWaalsContact O-N 3.13Å; F110-Y114 PolarHBondContact O-N 2.73Å | ||
| 111 | P | 74.9 | Confident | 84 | Confident | 73 Ų | 73 | 71 Ų | 71 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -57.1 | -45.2 | -173.9 | 22.3 | -33.3 | 0 | 0 | 0 | 113.1 | V109 R113 | V109-P111 VanDerWaalsContact C-CD 3.49Å; P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 2.89Å |
| 112 | L | 78.6 | Confident | 84.3 | Confident | 149 Ų | 149 | 73 Ų | 73 | 78% | 0.78 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -74.7 | -19.4 | -178.6 | -60.2 | 177.8 | 0 | 0 | 0 | 114.1 | F110 | F110-L112 PolarHBondContact O-N 3.27Š|
| 113 | R | 80.1 | Confident | 84.4 | Confident | 177 Ų | 177 | 70.3 Ų | 70.3 | 67% | 0.668 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -110 | 5.8 | -179 | -62.6 | -176.4 | -178.1 | -176.4 | -0 | 112.5 | F110 P111 H115 S116 K117 | F110-R113 HydrophobicContact CB-CB 4.39Å; F110-R113 CarbonylContact O-C 3.48Å; F110-R113 PolarHBondContact O-N 3.39Å; F110-R113 VanDerWaalsContact O-N 3.13Å; P111-R113 VanDerWaalsContact C-N 3.32Å; P111-R113 PolarHBondContact O-N 2.89Å; R113-H115 PolarHBondContact O-N 3.47Å; R113-S116 PolarHBondContact O-N 3.01Å; R113-S116 VanDerWaalsContact O-N 3.11Å; R113-K117 HydrophobicContact CB-CG 4.36Å; R113-K117 WeakPolarHBondContact O-CB 3.27Å; R113-K117 WeakPolarHBondContact O-CG 3.23Å; R113-K117 PolarHBondContact O-N 3.49Å |
| 114 | Y | 85.3 | Confident | 84.7 | Confident | 27 Ų | 27 | 72.9 Ų | 72.9 | 11% | 0.106 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -53.6 | -51.9 | -177.4 | 173.6 | -100.1 | 0 | 0 | 0 | 111.7 | P41 D103 I106 A107 F110 S116 K117 M118 | P41-Y114 VanDerWaalsContact CD-OH 3.3Å; P41-Y114 WeakPolarHBondContact CD-OH 3.36Å; P41-Y114 WeakPolarHBondContact CG-OH 3.44Å; D103-Y114 WeakPolarHBondContact OD1-CE2 3.33Å; D103-Y114 PolarHBondContact OD1-OH 2.59Å; I106-Y114 HydrophobicContact CG2-CD2 4.09Å; A107-Y114 HydrophobicContact CB-CD2 3.78Å; A107-Y114 HydrophobicContact CB-CE2 3.93Å; F110-Y114 PolarHBondContact O-N 2.73Å; Y114-S116 PolarHBondContact O-N 2.73Å; Y114-K117 PolarHBondContact O-N 3.23Å; Y114-M118 HydrophobicContact CD2-CB 4.36Å; Y114-M118 HydrophobicContact CE2-CB 3.93Å; Y114-M118 HydrophobicContact CE2-CG 4.17Å; Y114-M118 PolarHBondContact O-N 3.41Å |
| 115 | H | 83.7 | Confident | 85.3 | Confident | 156 Ų | 156 | 77.2 Ų | 77.2 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -23.1 | -178.2 | -69.2 | -71.8 | 0 | 0 | 0 | 114.2 | R113 | R113-H115 PolarHBondContact O-N 3.47Å |
| 116 | S | 85.1 | Confident | 85.8 | Confident | 98 Ų | 98 | 77.1 Ų | 77.1 | 69% | 0.685 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -85.9 | -33.1 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 112 | R113 Y114 | R113-S116 PolarHBondContact O-N 3.01Å; R113-S116 VanDerWaalsContact O-N 3.11Å; Y114-S116 PolarHBondContact O-N 2.73Å |
| 117 | K | 83.9 | Confident | 86.4 | Confident | 115 Ų | 115 | 77.6 Ų | 77.6 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -82.2 | -31.4 | -177.7 | -76.1 | -95.2 | 177 | -168.9 | 0 | 114.2 | I106 R113 Y114 | I106-K117 HydrophobicContact CG2-CB 3.8Å; R113-K117 HydrophobicContact CB-CG 4.36Å; R113-K117 WeakPolarHBondContact O-CB 3.27Å; R113-K117 WeakPolarHBondContact O-CG 3.23Å; R113-K117 PolarHBondContact O-N 3.49Å; Y114-K117 PolarHBondContact O-N 3.23Å |
| 118 | M | 87.9 | Confident | 87.1 | Confident | 12 Ų | 12 | 78.2 Ų | 78.2 | 6% | 0.059 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -130.4 | 98.2 | -174.7 | -177.4 | 60.6 | 76.1 | 0 | 0 | 108.6 | V40 D103 I106 Y114 D122 A123 | V40-M118 HydrophobicContact CB-CG 4.25Å; V40-M118 HydrophobicContact CG1-CG 3.72Å; V40-M118 HydrophobicContact CG1-SD 4.11Å; D103-M118 HydrophobicContact CB-CE 4.48Å; I106-M118 HydrophobicContact CD1-CE 3.63Å; Y114-M118 HydrophobicContact CD2-CB 4.36Å; Y114-M118 HydrophobicContact CE2-CB 3.93Å; Y114-M118 HydrophobicContact CE2-CG 4.17Å; Y114-M118 PolarHBondContact O-N 3.41Å; M118-D122 HydrophobicContact SD-CB 4.42Å; M118-A123 HydrophobicContact SD-CB 4.49Å |
| 119 | R | 91.1 | Very high | 88.1 | Confident | 130 Ų | 130 | 80.5 Ų | 80.5 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | trans | -104.6 | 165.1 | 175.3 | -59.9 | 171.6 | 55.8 | -176.4 | -2.5 | 110.2 | K121 D122 A123 | R119-K121 HydrophobicContact CB-CG 4.01Å; R119-K121 PolarHBondContact O-N 2.9Å; R119-D122 VanDerWaalsContact CB-OD2 3.3Å; R119-D122 WeakPolarHBondContact CB-OD2 3.28Å; R119-D122 PolarHBondContact N-OD2 2.92Å; R119-D122 PolarHBondContact O-N 3.3Å; R119-A123 PolarHBondContact O-N 3.26Å | ||
| 120 | H | 90.4 | Very high | 89.1 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.9 | -35.2 | 176 | -69 | -73.2 | 0 | 0 | 0 | 113.4 | D122 A123 A124 | H120-D122 VanDerWaalsContact C-N 3.34Å; H120-D122 PolarHBondContact O-N 3.42Å; H120-A123 PolarHBondContact O-N 3.35Å; H120-A124 WeakPolarHBondContact O-CB 3.43Å; H120-A124 PolarHBondContact O-N 2.93Å |
| 121 | K | 92.7 | Very high | 90.1 | Very high | 114 Ų | 114 | 80.7 Ų | 80.7 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 174.7 | 62.9 | 169.8 | -166.1 | 167.7 | 0 | 112.5 | R119 A124 L125 | R119-K121 HydrophobicContact CB-CG 4.01Å; R119-K121 PolarHBondContact O-N 2.9Å; K121-A124 PolarHBondContact O-N 3.34Å; K121-L125 WeakPolarHBondContact O-CG 3.33Å; K121-L125 PolarHBondContact O-N 3.21Å |
| 122 | D | 93.1 | Very high | 91.2 | Very high | 45 Ų | 45 | 79.9 Ų | 79.9 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.9 | -40.4 | -178.5 | -48.5 | -47.4 | 0 | 0 | 0 | 109.2 | M118 R119 H120 A124 L125 V126 | M118-D122 HydrophobicContact SD-CB 4.42Å; R119-D122 VanDerWaalsContact CB-OD2 3.3Å; R119-D122 WeakPolarHBondContact CB-OD2 3.28Å; R119-D122 PolarHBondContact N-OD2 2.92Å; R119-D122 PolarHBondContact O-N 3.3Å; H120-D122 VanDerWaalsContact C-N 3.34Å; H120-D122 PolarHBondContact O-N 3.42Å; D122-A124 PolarHBondContact O-N 2.93Å; D122-L125 PolarHBondContact O-N 3.27Å; D122-V126 WeakPolarHBondContact O-CG2 3.42Å; D122-V126 PolarHBondContact O-N 3.45Å |
| 123 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -40 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V40 L43 F44 M118 R119 H120 V126 L127 | V40-A123 HydrophobicContact CG1-CB 3.44Å; V40-A123 VanDerWaalsContact CG1-CB 3.44Å; L43-A123 HydrophobicContact CD1-CB 4.25Å; F44-A123 HydrophobicContact CE1-CB 4.15Å; F44-A123 HydrophobicContact CE2-CB 4.01Å; F44-A123 HydrophobicContact CZ-CB 3.57Å; M118-A123 HydrophobicContact SD-CB 4.49Å; R119-A123 PolarHBondContact O-N 3.26Å; H120-A123 PolarHBondContact O-N 3.35Å; A123-V126 PolarHBondContact O-N 3.11Å; A123-L127 WeakPolarHBondContact O-CG 3.11Å; A123-L127 PolarHBondContact O-N 3.28Å |
| 124 | A | 94.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 65 Ų | 65 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | H120 K121 D122 L127 G128 | H120-A124 WeakPolarHBondContact O-CB 3.43Å; H120-A124 PolarHBondContact O-N 2.93Å; K121-A124 PolarHBondContact O-N 3.34Å; D122-A124 PolarHBondContact O-N 2.93Å; A124-L127 PolarHBondContact O-N 2.91Å; A124-G128 PolarHBondContact O-N 2.9Å |
| 125 | L | 96 | Very high | 93.5 | Very high | 128 Ų | 128 | 67 Ų | 67 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 173.6 | -72.6 | 171.5 | 0 | 0 | 0 | 111.9 | K121 D122 G128 Y129 | K121-L125 WeakPolarHBondContact O-CG 3.33Å; K121-L125 PolarHBondContact O-N 3.21Å; D122-L125 PolarHBondContact O-N 3.27Å; L125-G128 PolarHBondContact O-N 2.87Å; L125-Y129 PolarHBondContact O-N 2.94Å |
| 126 | V | 95.7 | Very high | 94.1 | Very high | 53 Ų | 53 | 63 Ų | 63 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 111 | F44 A99 D122 A123 Y129 T130 | F44-V126 HydrophobicContact CE1-CB 4.02Å; F44-V126 HydrophobicContact CE1-CG1 3.81Å; F44-V126 HydrophobicContact CZ-CB 4.25Å; F44-V126 HydrophobicContact CZ-CG1 4.23Å; A99-V126 HydrophobicContact CB-CG1 3.46Å; A99-V126 VanDerWaalsContact CB-CG1 3.46Å; D122-V126 WeakPolarHBondContact O-CG2 3.42Å; D122-V126 PolarHBondContact O-N 3.45Å; A123-V126 PolarHBondContact O-N 3.11Å; V126-Y129 WeakPolarHBondContact O-CB 3.37Å; V126-Y129 PolarHBondContact O-N 3.17Å; V126-T130 WeakPolarHBondContact O-CG2 3.44Å; V126-T130 PolarHBondContact O-N 2.84Å |
| 127 | L | 96.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 173.5 | -73.3 | 174 | 0 | 0 | 0 | 112.1 | L43 F44 N47 A123 A124 Y129 T130 W131 | L43-L127 HydrophobicContact CB-CD1 4.06Å; F44-L127 HydrophobicContact CD1-CD1 4.38Å; F44-L127 HydrophobicContact CD1-CD2 3.75Å; F44-L127 HydrophobicContact CD1-CG 3.88Å; F44-L127 HydrophobicContact CE1-CD2 4.23Å; F44-L127 HydrophobicContact CE1-CG 3.94Å; N47-L127 HydrophobicContact CB-CD2 3.78Å; A123-L127 WeakPolarHBondContact O-CG 3.11Å; A123-L127 PolarHBondContact O-N 3.28Å; A124-L127 PolarHBondContact O-N 2.91Å; L127-Y129 VanDerWaalsContact C-N 3.25Å; L127-Y129 PolarHBondContact O-N 3.44Å; L127-T130 PolarHBondContact O-N 3.15Å; L127-T130 VanDerWaalsContact O-N 3.11Å; L127-T130 PolarHBondContact O-OG1 2.88Å; L127-W131 WeakPolarHBondContact O-CB 3.22Å; L127-W131 PolarHBondContact O-N 3.36Å |
| 128 | G | 97.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A124 L125 A132 | A124-G128 PolarHBondContact O-N 2.9Å; L125-G128 PolarHBondContact O-N 2.87Å; G128-A132 VanDerWaalsContact O-CB 3.27Å; G128-A132 WeakPolarHBondContact O-CB 3.04Å; G128-A132 PolarHBondContact O-N 2.94Å |
| 129 | Y | 96.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 56.1 Ų | 56.1 | 42% | 0.424 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 172.6 | 172.8 | -96.7 | 0 | 0 | 0 | 112.7 | L95 L125 V126 L127 W131 A132 H133 L183 | L95-Y129 HydrophobicContact CD1-CE1 4.5Å; L95-Y129 HydrophobicContact CD2-CE1 4.49Å; L125-Y129 PolarHBondContact O-N 2.94Å; V126-Y129 WeakPolarHBondContact O-CB 3.37Å; V126-Y129 PolarHBondContact O-N 3.17Å; L127-Y129 VanDerWaalsContact C-N 3.25Å; L127-Y129 PolarHBondContact O-N 3.44Å; Y129-W131 VanDerWaalsContact C-N 3.27Å; Y129-W131 PolarHBondContact O-N 3.4Å; Y129-A132 PolarHBondContact O-N 3.49Å; Y129-H133 AromaticContact CZ-CD2 3.93Å; Y129-H133 VanDerWaalsContact O-CB 3.23Å; Y129-H133 WeakPolarHBondContact O-CB 3.17Å; Y129-H133 PolarHBondContact O-N 2.84Å; Y129-H133 PolarHBondContact OH-CD2 3.46Å; Y129-L183 HydrophobicContact CE1-CD2 4.37Å; Y129-L183 VanDerWaalsContact OH-CD2 3.26Å; Y129-L183 WeakPolarHBondContact OH-CD2 3.11Å |
| 130 | T | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | -180 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | L95 V126 L127 S134 | L95-T130 HydrophobicContact CB-CG2 3.57Å; V126-T130 WeakPolarHBondContact O-CG2 3.44Å; V126-T130 PolarHBondContact O-N 2.84Å; L127-T130 PolarHBondContact O-N 3.15Å; L127-T130 VanDerWaalsContact O-N 3.11Å; L127-T130 PolarHBondContact O-OG1 2.88Å; T130-S134 VanDerWaalsContact O-CB 3.31Å; T130-S134 WeakPolarHBondContact O-CB 3.27Å; T130-S134 PolarHBondContact O-N 3.38Å; T130-S134 PolarHBondContact O-OG 2.88Å |
| 131 | W | 97.9 | Very high | 96 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.5 | -50.3 | 176.1 | -82.7 | 71.6 | 0 | 0 | 0 | 112.3 | N47 F50 F88 N92 L127 Y129 H133 S134 M135 | N47-W131 PolarHBondContact OD1-NE1 3.33Å; F50-W131 HydrophobicContact CE1-CH2 4.23Å; F50-W131 HydrophobicContact CE1-CZ2 4.35Å; F88-W131 HydrophobicContact CE1-CH2 4.37Å; F88-W131 HydrophobicContact CE1-CZ3 4.21Å; F88-W131 HydrophobicContact CE2-CE3 4.15Å; F88-W131 HydrophobicContact CE2-CZ3 4.48Å; F88-W131 HydrophobicContact CZ-CD2 4.04Å; F88-W131 AromaticContact CZ-CE3 3.56Å; F88-W131 HydrophobicContact CZ-CE3 3.56Å; F88-W131 AromaticContact CZ-CH2 4Å; F88-W131 HydrophobicContact CZ-CH2 4Å; F88-W131 HydrophobicContact CZ-CZ2 4.43Å; F88-W131 AromaticContact CZ-CZ3 3.53Å; F88-W131 HydrophobicContact CZ-CZ3 3.53Å; N92-W131 VanDerWaalsContact ND2-CD1 3.3Å; N92-W131 PolarHBondContact ND2-NE1 3.27Å; L127-W131 WeakPolarHBondContact O-CB 3.22Å; L127-W131 PolarHBondContact O-N 3.36Å; Y129-W131 VanDerWaalsContact C-N 3.27Å; Y129-W131 PolarHBondContact O-N 3.4Å; W131-H133 VanDerWaalsContact C-N 3.33Å; W131-H133 PolarHBondContact O-N 2.88Å; W131-S134 WeakPolarHBondContact CA-OG 3.2Å; W131-S134 PolarHBondContact O-N 3Å; W131-S134 PolarHBondContact O-OG 2.84Å; W131-S134 VanDerWaalsContact O-OG 3.08Å; W131-M135 WeakPolarHBondContact O-CB 3.43Å; W131-M135 PolarHBondContact O-N 3.31Å |
| 132 | A | 97.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G128 Y129 S136 | G128-A132 VanDerWaalsContact O-CB 3.27Å; G128-A132 WeakPolarHBondContact O-CB 3.04Å; G128-A132 PolarHBondContact O-N 2.94Å; Y129-A132 PolarHBondContact O-N 3.49Å; A132-S136 WeakPolarHBondContact O-CB 3.43Å; A132-S136 PolarHBondContact O-N 2.86Å; A132-S136 PolarHBondContact O-OG 3.42Å |
| 133 | H | 96.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.06 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 177.6 | -177.7 | -59.2 | 0 | 0 | 0 | 111.8 | L95 Y129 W131 M135 S136 F137 F179 T180 | L95-H133 HydrophobicContact CD1-CB 3.7Å; Y129-H133 AromaticContact CZ-CD2 3.93Å; Y129-H133 VanDerWaalsContact O-CB 3.23Å; Y129-H133 WeakPolarHBondContact O-CB 3.17Å; Y129-H133 PolarHBondContact O-N 2.84Å; Y129-H133 PolarHBondContact OH-CD2 3.46Å; W131-H133 VanDerWaalsContact C-N 3.33Å; W131-H133 PolarHBondContact O-N 2.88Å; H133-M135 VanDerWaalsContact C-N 3.34Å; H133-M135 PolarHBondContact O-N 3.38Å; H133-S136 PolarHBondContact O-N 3.37Å; H133-F137 AromaticContact CE1-CD2 3.44Å; H133-F137 VanDerWaalsContact CE1-CD2 3.44Å; H133-F137 WeakPolarHBondContact CE1-CD2 3.33Å; H133-F137 AromaticContact CE1-CE2 3.31Å; H133-F137 WeakPolarHBondContact CE1-CE2 3.27Å; H133-F137 AromaticContact ND1-CD2 3.57Å; H133-F137 AromaticContact ND1-CE2 3.81Å; H133-F137 AromaticContact NE2-CE2 3.63Å; H133-F137 WeakPolarHBondContact O-CD2 3.2Å; H133-F137 PolarHBondContact O-N 2.97Å; H133-F179 AromaticContact CD2-CD1 3.93Å; H133-F179 AromaticContact CD2-CE1 3.66Å; H133-F179 AromaticContact NE2-CD1 3.11Å; H133-F179 WeakPolarHBondContact NE2-CD1 3.47Å; H133-F179 AromaticContact NE2-CE1 3.33Å; H133-F179 VanDerWaalsContact NE2-CE1 3.33Å; H133-F179 WeakPolarHBondContact NE2-CE1 3.32Å; H133-T180 PolarHBondContact CE1-OG1 3.45Å; H133-T180 VanDerWaalsContact CE1-OG1 3.3Å |
| 134 | S | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | -179.2 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | F88 N92 T130 W131 S138 | F88-S134 WeakPolarHBondContact CD2-OG 3.28Å; F88-S134 WeakPolarHBondContact CE2-OG 3.38Å; F88-S134 WeakPolarHBondContact O-CB 3.43Å; N92-S134 PolarHBondContact ND2-OG 3.13Å; T130-S134 VanDerWaalsContact O-CB 3.31Å; T130-S134 WeakPolarHBondContact O-CB 3.27Å; T130-S134 PolarHBondContact O-N 3.38Å; T130-S134 PolarHBondContact O-OG 2.88Å; W131-S134 WeakPolarHBondContact CA-OG 3.2Å; W131-S134 PolarHBondContact O-N 3Å; W131-S134 PolarHBondContact O-OG 2.84Å; W131-S134 VanDerWaalsContact O-OG 3.08Å; S134-S138 WeakPolarHBondContact O-CB 3.44Å; S134-S138 PolarHBondContact O-N 3.33Å; S134-S138 PolarHBondContact O-OG 3Å |
| 135 | M | 97.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 51 Ų | 51 | 35% | 0.345 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -45 | 178.4 | -167.2 | 65.1 | 72.5 | 0 | 0 | 111.4 | F84 F88 W131 H133 F137 S138 T139 | F84-M135 HydrophobicContact CE2-SD 4.42Å; F84-M135 HydrophobicContact CZ-SD 3.74Å; F88-M135 HydrophobicContact CD2-CB 4.46Å; F88-M135 HydrophobicContact CD2-CE 4.14Å; F88-M135 HydrophobicContact CD2-SD 4.32Å; F88-M135 HydrophobicContact CE2-CB 4.3Å; F88-M135 HydrophobicContact CE2-CE 3.68Å; F88-M135 HydrophobicContact CE2-SD 4.39Å; F88-M135 HydrophobicContact CZ-CE 4.06Å; W131-M135 WeakPolarHBondContact O-CB 3.43Å; W131-M135 PolarHBondContact O-N 3.31Å; H133-M135 VanDerWaalsContact C-N 3.34Å; H133-M135 PolarHBondContact O-N 3.38Å; M135-F137 PolarHBondContact O-N 2.65Å; M135-S138 PolarHBondContact O-N 2.96Å; M135-T139 WeakPolarHBondContact O-CB 3.47Å; M135-T139 PolarHBondContact O-N 2.89Å; M135-T139 PolarHBondContact O-OG1 2.93Å |
| 136 | S | 96.9 | Very high | 95.7 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57 | -53.3 | -179.3 | -68.4 | 0 | 0 | 0 | 0 | 112.1 | A132 H133 T139 V140 | A132-S136 WeakPolarHBondContact O-CB 3.43Å; A132-S136 PolarHBondContact O-N 2.86Å; A132-S136 PolarHBondContact O-OG 3.42Å; H133-S136 PolarHBondContact O-N 3.37Å; S136-T139 PolarHBondContact O-N 3.21Å; S136-V140 VanDerWaalsContact O-CG2 3.27Å; S136-V140 WeakPolarHBondContact O-CG2 3.21Å; S136-V140 PolarHBondContact O-N 2.73Å |
| 137 | F | 96 | Very high | 95.6 | Very high | 25 Ų | 25 | 43.4 Ų | 43.4 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | -179.2 | -78.9 | -76.8 | 0 | 0 | 0 | 112.7 | H133 M135 T139 V140 A141 F172 F175 F176 F179 | H133-F137 AromaticContact CE1-CD2 3.44Å; H133-F137 VanDerWaalsContact CE1-CD2 3.44Å; H133-F137 WeakPolarHBondContact CE1-CD2 3.33Å; H133-F137 AromaticContact CE1-CE2 3.31Å; H133-F137 WeakPolarHBondContact CE1-CE2 3.27Å; H133-F137 AromaticContact ND1-CD2 3.57Å; H133-F137 AromaticContact ND1-CE2 3.81Å; H133-F137 AromaticContact NE2-CE2 3.63Å; H133-F137 WeakPolarHBondContact O-CD2 3.2Å; H133-F137 PolarHBondContact O-N 2.97Å; M135-F137 PolarHBondContact O-N 2.65Å; F137-T139 VanDerWaalsContact C-N 3.35Å; F137-T139 PolarHBondContact O-N 2.98Å; F137-V140 PolarHBondContact O-N 3.46Å; F137-A141 WeakPolarHBondContact O-CB 3.5Å; F137-A141 PolarHBondContact O-N 3.44Å; F137-F172 AromaticContact CD1-CE2 3.79Å; F137-F172 HydrophobicContact CD1-CE2 3.79Å; F137-F172 HydrophobicContact CD1-CZ 4.11Å; F137-F172 HydrophobicContact CE1-CE2 4.49Å; F137-F172 WeakPolarHBondContact O-CZ 3.3Å; F137-F175 AromaticContact CE1-CD1 3.69Å; F137-F175 HydrophobicContact CE1-CD1 3.69Å; F137-F175 AromaticContact CE1-CE1 3.85Å; F137-F175 HydrophobicContact CE1-CE1 3.85Å; F137-F175 AromaticContact CZ-CD1 3.91Å; F137-F175 HydrophobicContact CZ-CD1 3.91Å; F137-F175 AromaticContact CZ-CE1 3.64Å; F137-F175 HydrophobicContact CZ-CE1 3.64Å; F137-F176 HydrophobicContact CB-CD2 3.64Å; F137-F176 HydrophobicContact CB-CE2 3.89Å; F137-F176 HydrophobicContact CD1-CB 3.9Å; F137-F176 AromaticContact CD1-CD2 3.67Å; F137-F176 HydrophobicContact CD1-CD2 3.67Å; F137-F176 HydrophobicContact CD1-CG 4.22Å; F137-F176 HydrophobicContact CD2-CD2 4.17Å; F137-F176 HydrophobicContact CE1-CB 4.08Å; F137-F176 HydrophobicContact CE1-CD2 4.33Å; F137-F176 AromaticContact CG-CD2 3.57Å; F137-F176 HydrophobicContact CG-CD2 3.57Å; F137-F176 HydrophobicContact CG-CE2 4.22Å; F137-F179 HydrophobicContact CE2-CD1 4.11Å; F137-F179 HydrophobicContact CZ-CD1 4.19Å |
| 138 | S | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.1 | -37.9 | -178.2 | -49.2 | 0 | 0 | 0 | 0 | 111.6 | F84 T87 F88 S134 M135 A141 A142 | F84-S138 WeakPolarHBondContact CD2-O 3.42Å; T87-S138 VanDerWaalsContact C-OG 3.28Å; T87-S138 WeakPolarHBondContact CG2-OG 3.12Å; F88-S138 WeakPolarHBondContact CA-OG 3.36Å; F88-S138 WeakPolarHBondContact CB-OG 3.3Å; F88-S138 PolarHBondContact N-OG 2.99Å; S134-S138 WeakPolarHBondContact O-CB 3.44Å; S134-S138 PolarHBondContact O-N 3.33Å; S134-S138 PolarHBondContact O-OG 3Å; M135-S138 PolarHBondContact O-N 2.96Å; S138-A141 PolarHBondContact O-N 3.49Å; S138-A142 WeakPolarHBondContact O-CB 3.44Å; S138-A142 PolarHBondContact O-N 3.2Å |
| 139 | T | 96.2 | Very high | 95.3 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.3 | -45 | 176 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | M135 S136 F137 A141 A142 C143 | M135-T139 WeakPolarHBondContact O-CB 3.47Å; M135-T139 PolarHBondContact O-N 2.89Å; M135-T139 PolarHBondContact O-OG1 2.93Å; S136-T139 PolarHBondContact O-N 3.21Å; F137-T139 VanDerWaalsContact C-N 3.35Å; F137-T139 PolarHBondContact O-N 2.98Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 3.36Å; T139-A142 PolarHBondContact O-N 3.12Å; T139-C143 WeakPolarHBondContact O-CB 3.17Å; T139-C143 PolarHBondContact O-N 3.06Å; T139-C143 PolarHBondContact O-SG 3.44Å |
| 140 | V | 95.2 | Very high | 95.2 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.5 | -46 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | S136 F137 A142 C143 L144 F172 | S136-V140 VanDerWaalsContact O-CG2 3.27Å; S136-V140 WeakPolarHBondContact O-CG2 3.21Å; S136-V140 PolarHBondContact O-N 2.73Å; F137-V140 PolarHBondContact O-N 3.46Å; V140-A142 VanDerWaalsContact C-N 3.34Å; V140-A142 PolarHBondContact O-N 2.87Å; V140-C143 PolarHBondContact O-N 2.95Å; V140-L144 HydrophobicContact CG1-CD1 3.8Å; V140-L144 WeakPolarHBondContact O-CB 3.41Å; V140-L144 WeakPolarHBondContact O-CG 3.33Å; V140-L144 PolarHBondContact O-N 3.43Å; V140-F172 HydrophobicContact CB-CE2 4.11Å; V140-F172 HydrophobicContact CG1-CD2 4.05Å; V140-F172 HydrophobicContact CG1-CE2 3.66Å |
| 141 | A | 94.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F137 S138 T139 S145 W146 V147 L158 F172 | F137-A141 WeakPolarHBondContact O-CB 3.5Å; F137-A141 PolarHBondContact O-N 3.44Å; S138-A141 PolarHBondContact O-N 3.49Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 3.36Å; A141-S145 PolarHBondContact O-N 2.84Å; A141-W146 HydrophobicContact CB-CB 4.49Å; A141-W146 WeakPolarHBondContact O-CA 3.49Å; A141-W146 PolarHBondContact O-N 3.42Å; A141-V147 HydrophobicContact CB-CG1 3.96Å; A141-L158 HydrophobicContact CB-CD2 3.48Å; A141-L158 VanDerWaalsContact CB-CD2 3.48Å; A141-F172 HydrophobicContact CB-CE1 3.97Å; A141-F172 HydrophobicContact CB-CZ 3.85Å |
| 142 | A | 94 | Very high | 94.7 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -48 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F84 S138 T139 V140 L144 S145 V147 | F84-A142 HydrophobicContact CD2-CB 3.93Å; S138-A142 WeakPolarHBondContact O-CB 3.44Å; S138-A142 PolarHBondContact O-N 3.2Å; T139-A142 PolarHBondContact O-N 3.12Å; V140-A142 VanDerWaalsContact C-N 3.34Å; V140-A142 PolarHBondContact O-N 2.87Å; A142-L144 PolarHBondContact O-N 3.17Å; A142-S145 PolarHBondContact O-N 2.93Å; A142-V147 HydrophobicContact CB-CG2 4.34Å |
| 143 | C | 93.1 | Very high | 94.5 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 66% | 0.662 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.2 | -35.3 | 179.1 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | T139 V140 S145 | T139-C143 WeakPolarHBondContact O-CB 3.17Å; T139-C143 PolarHBondContact O-N 3.06Å; T139-C143 PolarHBondContact O-SG 3.44Å; V140-C143 PolarHBondContact O-N 2.95Å; C143-S145 VanDerWaalsContact C-N 3.25Å; C143-S145 PolarHBondContact O-N 3.3Å |
| 144 | L | 91.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 45% | 0.445 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6 | 177.6 | -61.6 | 177.4 | 0 | 0 | 0 | 113.3 | V140 A142 W146 | V140-L144 HydrophobicContact CG1-CD1 3.8Å; V140-L144 WeakPolarHBondContact O-CB 3.41Å; V140-L144 WeakPolarHBondContact O-CG 3.33Å; V140-L144 PolarHBondContact O-N 3.43Å; A142-L144 PolarHBondContact O-N 3.17Å; L144-W146 HydrophobicContact CB-CD2 3.74Å; L144-W146 HydrophobicContact CB-CE3 3.99Å; L144-W146 HydrophobicContact CB-CG 4.1Å; L144-W146 HydrophobicContact CB-CZ2 4.28Å; L144-W146 HydrophobicContact CB-CZ3 4.35Å; L144-W146 HydrophobicContact CD1-CD2 4.29Å; L144-W146 HydrophobicContact CD1-CE3 3.83Å; L144-W146 HydrophobicContact CD1-CH2 3.43Å; L144-W146 VanDerWaalsContact CD1-CH2 3.43Å; L144-W146 HydrophobicContact CD1-CZ2 3.92Å; L144-W146 HydrophobicContact CD1-CZ3 3.35Å; L144-W146 HydrophobicContact CG-CZ3 4.48Å; L144-W146 PolarHBondContact O-N 2.85Å |
| 145 | S | 90.8 | Very high | 94.3 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 35.8 | -177.6 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | A141 A142 C143 V147 | A141-S145 PolarHBondContact O-N 2.84Å; A142-S145 PolarHBondContact O-N 2.93Å; C143-S145 VanDerWaalsContact C-N 3.25Å; C143-S145 PolarHBondContact O-N 3.3Å; S145-V147 VanDerWaalsContact C-N 3.31Å |
| 146 | W | 93.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | trans | -95.4 | 20.4 | 176.6 | -66.6 | -18.3 | 0 | 0 | 0 | 112.8 | A141 L144 L158 S159 S165 Q168 F169 F172 | A141-W146 HydrophobicContact CB-CB 4.49Å; A141-W146 WeakPolarHBondContact O-CA 3.49Å; A141-W146 PolarHBondContact O-N 3.42Å; L144-W146 HydrophobicContact CB-CD2 3.74Å; L144-W146 HydrophobicContact CB-CE3 3.99Å; L144-W146 HydrophobicContact CB-CG 4.1Å; L144-W146 HydrophobicContact CB-CZ2 4.28Å; L144-W146 HydrophobicContact CB-CZ3 4.35Å; L144-W146 HydrophobicContact CD1-CD2 4.29Å; L144-W146 HydrophobicContact CD1-CE3 3.83Å; L144-W146 HydrophobicContact CD1-CH2 3.43Å; L144-W146 VanDerWaalsContact CD1-CH2 3.43Å; L144-W146 HydrophobicContact CD1-CZ2 3.92Å; L144-W146 HydrophobicContact CD1-CZ3 3.35Å; L144-W146 HydrophobicContact CG-CZ3 4.48Å; L144-W146 PolarHBondContact O-N 2.85Å; W146-L158 CarbonylContact O-C 3.49Å; W146-L158 WeakPolarHBondContact O-CA 3.48Å; W146-S159 CarbonylContact C-O 3.2Å; W146-S159 VanDerWaalsContact CA-O 3.3Å; W146-S159 WeakPolarHBondContact CA-O 3.27Å; W146-S159 PolarHBondContact O-N 3.36Å; W146-S165 PolarHBondContact NE1-OG 3.31Å; W146-Q168 HydrophobicContact CH2-CB 3.81Å; W146-Q168 HydrophobicContact CZ2-CB 3.71Å; W146-F169 HydrophobicContact CB-CD2 3.93Å; W146-F169 HydrophobicContact CB-CE2 4.08Å; W146-F169 AromaticContact CD1-CD2 3.96Å; W146-F169 HydrophobicContact CD2-CB 4.41Å; W146-F169 AromaticContact CD2-CD2 3.85Å; W146-F169 HydrophobicContact CD2-CD2 3.85Å; W146-F169 HydrophobicContact CE3-CD2 4.38Å; W146-F169 AromaticContact CG-CD2 3.66Å; W146-F169 HydrophobicContact CG-CD2 3.66Å; W146-F169 HydrophobicContact CG-CE2 4.31Å; W146-F169 HydrophobicContact CZ2-CB 4.25Å; W146-F172 HydrophobicContact CE3-CB 4.02Å; W146-F172 AromaticContact CE3-CD1 3.67Å; W146-F172 HydrophobicContact CE3-CD1 3.67Å; W146-F172 HydrophobicContact CE3-CD2 4.29Å; W146-F172 HydrophobicContact CE3-CE1 4.22Å; W146-F172 AromaticContact CE3-CG 3.72Å; W146-F172 HydrophobicContact CE3-CG 3.72Å; W146-F172 HydrophobicContact CH2-CB 3.98Å; W146-F172 HydrophobicContact CH2-CG 4.46Å; W146-F172 HydrophobicContact CZ3-CB 3.32Å; W146-F172 AromaticContact CZ3-CD1 3.84Å; W146-F172 HydrophobicContact CZ3-CD1 3.84Å; W146-F172 AromaticContact CZ3-CD2 3.81Å; W146-F172 HydrophobicContact CZ3-CD2 3.81Å; W146-F172 AromaticContact CZ3-CG 3.36Å; W146-F172 HydrophobicContact CZ3-CG 3.36Å | ||
| 147 | V | 93.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.2 | 173.6 | -65.9 | 0 | 0 | 0 | 0 | 109.3 | Q80 A141 A142 S145 T157 L158 | Q80-V147 HydrophobicContact CB-CG2 4.26Å; Q80-V147 HydrophobicContact CG-CG2 4.38Å; A141-V147 HydrophobicContact CB-CG1 3.96Å; A142-V147 HydrophobicContact CB-CG2 4.34Å; S145-V147 VanDerWaalsContact C-N 3.31Å; V147-T157 WeakPolarHBondContact CA-O 3.28Å; V147-L158 HydrophobicContact CG1-CD2 4.23Å |
| 148 | G | 93.7 | Very high | 94 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | -174.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C79 H150 C156 T157 | C79-G148 VanDerWaalsContact SG-C 3.6Å; G148-H150 PolarHBondContact O-N 2.88Å; G148-C156 WeakPolarHBondContact O-CA 3.43Å; G148-T157 PolarHBondContact N-O 3.43Å; G148-T157 PolarHBondContact O-N 3.47Å |
| 149 | Y | 94.5 | Very high | 93.8 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 13% | 0.125 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.9 | -179.6 | -172.1 | -113.8 | 0 | 0 | 0 | 110.6 | G66 Q72 C79 R151 | G66-Y149 WeakPolarHBondContact CA-OH 3.39Å; G66-Y149 PolarHBondContact O-OH 2.97Å; Q72-Y149 HydrophobicContact CB-CD1 3.97Å; Q72-Y149 HydrophobicContact CB-CD2 4.41Å; Q72-Y149 HydrophobicContact CB-CG 3.9Å; Q72-Y149 HydrophobicContact CG-CD2 4.37Å; Q72-Y149 HydrophobicContact CG-CG 4.01Å; C79-Y149 WeakPolarHBondContact SG-CA 3.45Å; C79-Y149 VanDerWaalsContact SG-CB 3.59Å; C79-Y149 PolarHBondContact SG-N 3.44Å; Y149-R151 HydrophobicContact CD1-CG 4.3Å; Y149-R151 HydrophobicContact CE1-CG 4.01Å |
| 150 | H | 93.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.171 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 111.7 | 178.8 | -158.5 | -71 | 0 | 0 | 0 | 110.5 | G148 L152 Y153 A154 S155 T157 E264 | G148-H150 PolarHBondContact O-N 2.88Å; H150-L152 VanDerWaalsContact C-N 3.32Å; H150-L152 WeakPolarHBondContact ND1-CB 3.38Å; H150-L152 PolarHBondContact ND1-N 3.07Å; H150-L152 PolarHBondContact O-N 3.22Å; H150-Y153 HydrophobicContact CB-CD2 3.97Å; H150-Y153 AromaticContact CE1-CE2 3.92Å; H150-Y153 AromaticContact CG-CD2 3.67Å; H150-Y153 AromaticContact ND1-CD2 3.34Å; H150-Y153 VanDerWaalsContact ND1-CD2 3.34Å; H150-Y153 WeakPolarHBondContact ND1-CD2 3.16Å; H150-Y153 AromaticContact ND1-CE2 3.55Å; H150-Y153 PolarHBondContact O-N 3.45Å; H150-Y153 VanDerWaalsContact O-N 3.12Å; H150-A154 PolarHBondContact O-N 3.11Å; H150-A154 VanDerWaalsContact O-N 3.07Å; H150-S155 PolarHBondContact N-O 3.26Å; H150-S155 PolarHBondContact O-N 3.31Å; H150-T157 HydrophobicContact CB-CG2 3.55Å; H150-E264 IonicContact CE1-OE1 2.86Å; H150-E264 PolarHBondContact CE1-OE1 2.53Å; H150-E264 IonicContact ND1-OE1 2.66Å; H150-E264 IonicContact NE2-OE1 2.68Å; H150-E264 PolarHBondContact NE2-OE1 3.44Å; H150-E264 VanDerWaalsContact NE2-OE1 3.11Å |
| 151 | R | 91.9 | Very high | 92.1 | Very high | 214 Ų | 214 | 36.1 Ų | 36.1 | 81% | 0.808 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -60.8 | -37.5 | -172.8 | -66.1 | -174.4 | 179.5 | -159.9 | -0.2 | 113.2 | Y149 Y153 A154 | Y149-R151 HydrophobicContact CD1-CG 4.3Å; Y149-R151 HydrophobicContact CE1-CG 4.01Å; R151-Y153 PolarHBondContact O-N 3.25Å; R151-A154 PolarHBondContact O-N 3.39Å |
| 152 | L | 92.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -58.7 | -32.4 | 177.9 | 179.6 | 58.4 | 0 | 0 | 0 | 113 | H150 E264 I271 G276 I277 | H150-L152 VanDerWaalsContact C-N 3.32Å; H150-L152 WeakPolarHBondContact ND1-CB 3.38Å; H150-L152 PolarHBondContact ND1-N 3.07Å; H150-L152 PolarHBondContact O-N 3.22Å; L152-E264 WeakPolarHBondContact CD2-OE1 3.22Å; L152-I271 HydrophobicContact CD1-CB 4.32Å; L152-I271 HydrophobicContact CD1-CG2 3.93Å; L152-I271 HydrophobicContact CD2-CB 4.14Å; L152-I271 HydrophobicContact CD2-CD1 4.14Å; L152-I271 HydrophobicContact CD2-CG2 4.03Å; L152-G276 CarbonylContact O-C 3.38Å; L152-G276 WeakPolarHBondContact O-CA 3.38Å; L152-I277 PolarHBondContact O-N 2.73Å |
| 153 | Y | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -107.4 | 2.9 | -177.4 | -52.5 | -70.8 | 0 | 0 | 0 | 112.5 | H150 R151 S155 T157 Y257 T260 R261 E264 G276 | H150-Y153 HydrophobicContact CB-CD2 3.97Å; H150-Y153 AromaticContact CE1-CE2 3.92Å; H150-Y153 AromaticContact CG-CD2 3.67Å; H150-Y153 AromaticContact ND1-CD2 3.34Å; H150-Y153 VanDerWaalsContact ND1-CD2 3.34Å; H150-Y153 WeakPolarHBondContact ND1-CD2 3.16Å; H150-Y153 AromaticContact ND1-CE2 3.55Å; H150-Y153 PolarHBondContact O-N 3.45Å; H150-Y153 VanDerWaalsContact O-N 3.12Å; R151-Y153 PolarHBondContact O-N 3.25Å; Y153-S155 WeakPolarHBondContact CB-OG 3.49Å; Y153-S155 WeakPolarHBondContact O-CB 3.42Å; Y153-S155 PolarHBondContact O-N 3.29Å; Y153-S155 PolarHBondContact O-OG 3.38Å; Y153-T157 HydrophobicContact CD2-CG2 4.08Å; Y153-Y257 HydrophobicContact CD1-CD2 4.26Å; Y153-Y257 AromaticContact CD1-CE2 3.81Å; Y153-Y257 HydrophobicContact CD1-CE2 3.81Å; Y153-Y257 HydrophobicContact CE1-CD2 4.17Å; Y153-Y257 AromaticContact CE1-CE2 3.88Å; Y153-Y257 HydrophobicContact CE1-CE2 3.88Å; Y153-Y257 HydrophobicContact CG-CE2 4.3Å; Y153-T260 HydrophobicContact CE1-CG2 4.11Å; Y153-R261 VanDerWaalsContact OH-CD 3.25Å; Y153-R261 WeakPolarHBondContact OH-CD 3.37Å; Y153-E264 VanDerWaalsContact CE2-OE2 3.31Å; Y153-E264 WeakPolarHBondContact CE2-OE2 2.97Å; Y153-E264 VanDerWaalsContact OH-CD 3.31Å; Y153-E264 PolarHBondContact OH-OE2 2.95Å; Y153-G276 WeakPolarHBondContact CD1-O 3.35Å |
| 154 | A | 94.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | 31.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T63 L67 H150 R151 I277 | T63-A154 VanDerWaalsContact CA-O 3.31Å; T63-A154 WeakPolarHBondContact CA-O 3.45Å; L67-A154 HydrophobicContact CB-CB 4.16Å; L67-A154 HydrophobicContact CD1-CB 4.38Å; H150-A154 PolarHBondContact O-N 3.11Å; H150-A154 VanDerWaalsContact O-N 3.07Å; R151-A154 PolarHBondContact O-N 3.39Å; A154-I277 HydrophobicContact CB-CG1 4.27Å |
| 155 | S | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.3 | -167.7 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | T63 H150 Y153 K280 | T63-S155 WeakPolarHBondContact OG1-CB 3.33Å; H150-S155 PolarHBondContact N-O 3.26Å; H150-S155 PolarHBondContact O-N 3.31Å; Y153-S155 WeakPolarHBondContact CB-OG 3.49Å; Y153-S155 WeakPolarHBondContact O-CB 3.42Å; Y153-S155 PolarHBondContact O-N 3.29Å; Y153-S155 PolarHBondContact O-OG 3.38Å; S155-K280 WeakPolarHBondContact OG-CE 3.1Å |
| 156 | C | 94.9 | Very high | 87.3 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 111.8 | 173.1 | -64.8 | 0 | 0 | 0 | 0 | 109.3 | C79 A82 G83 E86 G148 | C79-C156 WeakPolarHBondContact CA-SG 3.38Å; C79-C156 HydrophobicContact CB-CB 4.13Å; C79-C156 WeakPolarHBondContact CB-SG 3.15Å; C79-C156 WeakPolarHBondContact O-CB 3.38Å; C79-C156 VanDerWaalsContact SG-CA 3.55Å; C79-C156 WeakPolarHBondContact SG-CB 3.42Å; C79-C156 CovalentContact SG-SG 2.03Å; C79-C156 PolarHBondContact SG-SG 2.92Å; A82-C156 HydrophobicContact CB-CB 3.68Å; G83-C156 WeakPolarHBondContact CA-O 3.29Å; E86-C156 VanDerWaalsContact OE2-O 3.09Å; G148-C156 WeakPolarHBondContact O-CA 3.43Å |
| 157 | T | 95.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -169.6 | -169.4 | -163.3 | 0 | 0 | 0 | 0 | 111.2 | E86 V147 G148 H150 Y153 S159 Y257 R261 | E86-T157 WeakPolarHBondContact OE2-CB 3.4Å; E86-T157 PolarHBondContact OE2-OG1 3Å; V147-T157 WeakPolarHBondContact CA-O 3.28Å; G148-T157 PolarHBondContact N-O 3.43Å; G148-T157 PolarHBondContact O-N 3.47Å; H150-T157 HydrophobicContact CB-CG2 3.55Å; Y153-T157 HydrophobicContact CD2-CG2 4.08Å; T157-S159 PolarHBondContact O-N 3.47Å; T157-Y257 PolarHBondContact OG1-OH 3.39Å; T157-Y257 VanDerWaalsContact OG1-OH 3.09Å; T157-R261 PolarHBondContact OG1-NH2 3.03Å |
| 158 | L | 93.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 122.2 | 171.4 | -64.1 | 171.2 | 0 | 0 | 0 | 110.3 | T87 A141 W146 V147 F169 F172 F176 R261 | T87-L158 HydrophobicContact CG2-CD2 4.42Å; A141-L158 HydrophobicContact CB-CD2 3.48Å; A141-L158 VanDerWaalsContact CB-CD2 3.48Å; W146-L158 CarbonylContact O-C 3.49Å; W146-L158 WeakPolarHBondContact O-CA 3.48Å; V147-L158 HydrophobicContact CG1-CD2 4.23Å; L158-F169 HydrophobicContact CB-CE2 4.41Å; L158-F172 HydrophobicContact CD1-CE1 4.34Å; L158-F172 HydrophobicContact CD2-CE1 4.02Å; L158-F176 HydrophobicContact CD1-CD1 3.74Å; L158-F176 HydrophobicContact CD1-CE1 3.78Å; L158-R261 VanDerWaalsContact CB-NH2 3.34Å; L158-R261 VanDerWaalsContact N-NH2 3.11Å; L158-R261 VanDerWaalsContact O-CZ 3.26Å; L158-R261 PolarHBondContact O-NH1 2.87Å; L158-R261 PolarHBondContact O-NH2 2.88Å |
| 159 | S | 91.6 | Very high | 86.8 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 12% | 0.119 | 31% | 0.31 | C | S | . | . | trans | -148.6 | 131.1 | -176.3 | -173.4 | 0 | 0 | 0 | 0 | 109 | W146 T157 A161 | W146-S159 CarbonylContact C-O 3.2Å; W146-S159 VanDerWaalsContact CA-O 3.3Å; W146-S159 WeakPolarHBondContact CA-O 3.27Å; W146-S159 PolarHBondContact O-N 3.36Å; T157-S159 PolarHBondContact O-N 3.47Å; S159-A161 PolarHBondContact O-N 3.32Å | ||
| 160 | N | 85.9 | Confident | 86.7 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | trans | -88.8 | 89.4 | 177.5 | -171.7 | 40.8 | 0 | 0 | 0 | 110.3 | R162 F169 | N160-R162 VanDerWaalsContact C-N 3.3Å; N160-R162 PolarHBondContact ND2-O 2.89Å; N160-R162 PolarHBondContact O-N 2.89Å; N160-R162 PolarHBondContact OD1-O 3.29Å; N160-F169 HydrophobicContact CB-CB 4.37Å; N160-F169 HydrophobicContact CB-CD1 3.73Å; N160-F169 HydrophobicContact CB-CD2 3.94Å; N160-F169 HydrophobicContact CB-CE1 3.92Å; N160-F169 HydrophobicContact CB-CE2 4.12Å; N160-F169 HydrophobicContact CB-CG 3.74Å; N160-F169 HydrophobicContact CB-CZ 4.11Å | ||
| 161 | A | 70.4 | Confident | 86.7 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 69% | 0.694 | 34% | 0.335 | S | S | * | . | trans | -71.9 | -21.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S159 | S159-A161 PolarHBondContact O-N 3.32Š| ||
| 162 | R | 67.6 | Low | 86.8 | Confident | 161 Ų | 161 | 52.7 Ų | 52.7 | 61% | 0.608 | 30% | 0.301 | S | S | * | . | trans | -113.3 | 120.7 | -178.5 | -69 | -178.8 | -178.4 | 163 | 1.1 | 111.3 | N160 S164 | N160-R162 VanDerWaalsContact C-N 3.3Å; N160-R162 PolarHBondContact ND2-O 2.89Å; N160-R162 PolarHBondContact O-N 2.89Å; N160-R162 PolarHBondContact OD1-O 3.29Å; R162-S164 PolarHBondContact O-N 3.18Å | ||
| 163 | A | 62.8 | Low | 86.8 | Confident | 94 Ų | 94 | 51.6 Ų | 51.6 | 78% | 0.777 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.1 | -24.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | S165 | A163-S165 VanDerWaalsContact C-N 3.28Å; A163-S165 PolarHBondContact O-N 3.4Å |
| 164 | S | 66.1 | Low | 86.7 | Confident | 115 Ų | 115 | 54.3 Ų | 54.3 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.7 | -16.4 | -173.5 | 56.1 | 0 | 0 | 0 | 0 | 115.3 | R162 | R162-S164 PolarHBondContact O-N 3.18Š|
| 165 | S | 80.2 | Confident | 86.7 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -118.4 | 25 | -177.4 | 59.6 | 0 | 0 | 0 | 0 | 114 | W146 A163 T167 Q168 F169 | W146-S165 PolarHBondContact NE1-OG 3.31Å; A163-S165 VanDerWaalsContact C-N 3.28Å; A163-S165 PolarHBondContact O-N 3.4Å; S165-T167 VanDerWaalsContact C-N 3.35Å; S165-T167 PolarHBondContact O-N 2.84Å; S165-Q168 PolarHBondContact O-N 3.4Å; S165-Q168 VanDerWaalsContact O-N 3.14Å; S165-F169 PolarHBondContact O-N 3.45Å |
| 166 | R | 86.3 | Confident | 86.7 | Confident | 127 Ų | 127 | 60.1 Ų | 60.1 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.2 | -46.7 | -173.2 | -174.1 | 176.7 | -179.5 | 171.8 | 3 | 113.3 | Q168 F169 V170 | R166-Q168 PolarHBondContact O-N 2.9Å; R166-F169 PolarHBondContact O-N 2.84Å; R166-V170 HydrophobicContact CG-CG2 4.42Å; R166-V170 VanDerWaalsContact O-CG2 3.27Å; R166-V170 WeakPolarHBondContact O-CG2 3.34Å; R166-V170 PolarHBondContact O-N 3.39Å |
| 167 | T | 88.3 | Confident | 86.5 | Confident | 112 Ų | 112 | 60.6 Ų | 60.6 | 69% | 0.687 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -42.3 | -179.4 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | S165 V170 V171 | S165-T167 VanDerWaalsContact C-N 3.35Å; S165-T167 PolarHBondContact O-N 2.84Å; T167-V170 PolarHBondContact O-N 3.43Å; T167-V171 WeakPolarHBondContact O-CG2 3.3Å; T167-V171 PolarHBondContact O-N 2.98Å |
| 168 | Q | 91.2 | Very high | 86.1 | Confident | 126 Ų | 126 | 63 Ų | 63 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.5 | -42.1 | 178.3 | -67 | 174.2 | -24.4 | 0 | 0 | 111.3 | W146 S165 R166 V171 F172 | W146-Q168 HydrophobicContact CH2-CB 3.81Å; W146-Q168 HydrophobicContact CZ2-CB 3.71Å; S165-Q168 PolarHBondContact O-N 3.4Å; S165-Q168 VanDerWaalsContact O-N 3.14Å; R166-Q168 PolarHBondContact O-N 2.9Å; Q168-V171 PolarHBondContact O-N 3.3Å; Q168-F172 VanDerWaalsContact O-CB 3.3Å; Q168-F172 WeakPolarHBondContact O-CB 3.37Å; Q168-F172 PolarHBondContact O-N 3.49Å |
| 169 | F | 91.9 | Very high | 86 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.1 | 176 | -97.5 | 0 | 0 | 0 | 112.1 | W146 L158 N160 S165 R166 F172 T173 L265 | W146-F169 HydrophobicContact CB-CD2 3.93Å; W146-F169 HydrophobicContact CB-CE2 4.08Å; W146-F169 AromaticContact CD1-CD2 3.96Å; W146-F169 HydrophobicContact CD2-CB 4.41Å; W146-F169 AromaticContact CD2-CD2 3.85Å; W146-F169 HydrophobicContact CD2-CD2 3.85Å; W146-F169 HydrophobicContact CE3-CD2 4.38Å; W146-F169 AromaticContact CG-CD2 3.66Å; W146-F169 HydrophobicContact CG-CD2 3.66Å; W146-F169 HydrophobicContact CG-CE2 4.31Å; W146-F169 HydrophobicContact CZ2-CB 4.25Å; L158-F169 HydrophobicContact CB-CE2 4.41Å; N160-F169 HydrophobicContact CB-CB 4.37Å; N160-F169 HydrophobicContact CB-CD1 3.73Å; N160-F169 HydrophobicContact CB-CD2 3.94Å; N160-F169 HydrophobicContact CB-CE1 3.92Å; N160-F169 HydrophobicContact CB-CE2 4.12Å; N160-F169 HydrophobicContact CB-CG 3.74Å; N160-F169 HydrophobicContact CB-CZ 4.11Å; S165-F169 PolarHBondContact O-N 3.45Å; R166-F169 PolarHBondContact O-N 2.84Å; F169-F172 PolarHBondContact O-N 3.1Å; F169-T173 VanDerWaalsContact O-CB 3.25Å; F169-T173 WeakPolarHBondContact O-CB 3.5Å; F169-T173 PolarHBondContact O-N 3.38Å; F169-T173 PolarHBondContact O-OG1 3.4Å; F169-L265 HydrophobicContact CD1-CD2 4.31Å; F169-L265 HydrophobicContact CE1-CD2 3.97Å |
| 170 | V | 91.8 | Very high | 86 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -52 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | R166 T167 F172 T173 V174 L265 | R166-V170 HydrophobicContact CG-CG2 4.42Å; R166-V170 VanDerWaalsContact O-CG2 3.27Å; R166-V170 WeakPolarHBondContact O-CG2 3.34Å; R166-V170 PolarHBondContact O-N 3.39Å; T167-V170 PolarHBondContact O-N 3.43Å; V170-F172 VanDerWaalsContact C-N 3.33Å; V170-F172 PolarHBondContact O-N 2.86Å; V170-T173 PolarHBondContact O-N 3.37Å; V170-V174 HydrophobicContact CG1-CG2 4.45Å; V170-V174 WeakPolarHBondContact O-CG2 3.07Å; V170-V174 PolarHBondContact O-N 3.18Å; V170-L265 HydrophobicContact CG1-CB 4.46Å; V170-L265 HydrophobicContact CG1-CD1 4.19Å; V170-L265 HydrophobicContact CG2-CB 4.33Å; V170-L265 HydrophobicContact CG2-CD2 4.11Å |
| 171 | V | 92.9 | Very high | 86.2 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 56% | 0.564 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 179.4 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | T167 Q168 F175 | T167-V171 WeakPolarHBondContact O-CG2 3.3Å; T167-V171 PolarHBondContact O-N 2.98Å; Q168-V171 PolarHBondContact O-N 3.3Å; V171-F175 WeakPolarHBondContact O-CB 3.21Å; V171-F175 PolarHBondContact O-N 3.4Å |
| 172 | F | 94.2 | Very high | 87.1 | Confident | 21 Ų | 21 | 66 Ų | 66 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 177 | 172.9 | -94.6 | 0 | 0 | 0 | 112.1 | F137 V140 A141 W146 L158 Q168 F169 V170 F175 F176 | F137-F172 AromaticContact CD1-CE2 3.79Å; F137-F172 HydrophobicContact CD1-CE2 3.79Å; F137-F172 HydrophobicContact CD1-CZ 4.11Å; F137-F172 HydrophobicContact CE1-CE2 4.49Å; F137-F172 WeakPolarHBondContact O-CZ 3.3Å; V140-F172 HydrophobicContact CB-CE2 4.11Å; V140-F172 HydrophobicContact CG1-CD2 4.05Å; V140-F172 HydrophobicContact CG1-CE2 3.66Å; A141-F172 HydrophobicContact CB-CE1 3.97Å; A141-F172 HydrophobicContact CB-CZ 3.85Å; W146-F172 HydrophobicContact CE3-CB 4.02Å; W146-F172 AromaticContact CE3-CD1 3.67Å; W146-F172 HydrophobicContact CE3-CD1 3.67Å; W146-F172 HydrophobicContact CE3-CD2 4.29Å; W146-F172 HydrophobicContact CE3-CE1 4.22Å; W146-F172 AromaticContact CE3-CG 3.72Å; W146-F172 HydrophobicContact CE3-CG 3.72Å; W146-F172 HydrophobicContact CH2-CB 3.98Å; W146-F172 HydrophobicContact CH2-CG 4.46Å; W146-F172 HydrophobicContact CZ3-CB 3.32Å; W146-F172 AromaticContact CZ3-CD1 3.84Å; W146-F172 HydrophobicContact CZ3-CD1 3.84Å; W146-F172 AromaticContact CZ3-CD2 3.81Å; W146-F172 HydrophobicContact CZ3-CD2 3.81Å; W146-F172 AromaticContact CZ3-CG 3.36Å; W146-F172 HydrophobicContact CZ3-CG 3.36Å; L158-F172 HydrophobicContact CD1-CE1 4.34Å; L158-F172 HydrophobicContact CD2-CE1 4.02Å; Q168-F172 VanDerWaalsContact O-CB 3.3Å; Q168-F172 WeakPolarHBondContact O-CB 3.37Å; Q168-F172 PolarHBondContact O-N 3.49Å; F169-F172 PolarHBondContact O-N 3.1Å; V170-F172 VanDerWaalsContact C-N 3.33Å; V170-F172 PolarHBondContact O-N 2.86Å; F172-F175 PolarHBondContact O-N 3.43Å; F172-F176 HydrophobicContact CE1-CB 4.41Å; F172-F176 HydrophobicContact CZ-CB 4.47Å; F172-F176 WeakPolarHBondContact O-CB 3.39Å; F172-F176 PolarHBondContact O-N 2.88Å |
| 173 | T | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | -177.1 | -60.2 | 0 | 0 | 0 | 0 | 111 | F169 V170 H177 L265 | F169-T173 VanDerWaalsContact O-CB 3.25Å; F169-T173 WeakPolarHBondContact O-CB 3.5Å; F169-T173 PolarHBondContact O-N 3.38Å; F169-T173 PolarHBondContact O-OG1 3.4Å; V170-T173 PolarHBondContact O-N 3.37Å; T173-H177 WeakPolarHBondContact O-CB 3.14Å; T173-H177 PolarHBondContact O-CD2 3.36Å; T173-H177 PolarHBondContact O-N 2.8Å; T173-L265 HydrophobicContact CG2-CD1 4.02Å; T173-L265 HydrophobicContact CG2-CD2 4.22Å |
| 174 | V | 93.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 34% | 0.339 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 174.5 | 173 | 0 | 0 | 0 | 0 | 110.4 | V170 S178 I262 L265 | V170-V174 HydrophobicContact CG1-CG2 4.45Å; V170-V174 WeakPolarHBondContact O-CG2 3.07Å; V170-V174 PolarHBondContact O-N 3.18Å; V174-S178 WeakPolarHBondContact O-CB 3.38Å; V174-S178 PolarHBondContact O-N 3.25Å; V174-S178 PolarHBondContact O-OG 3.26Å; V174-I262 HydrophobicContact CB-CD1 4.49Å; V174-I262 HydrophobicContact CG2-CD1 4.13Å; V174-L265 HydrophobicContact CG2-CD1 3.57Å |
| 175 | F | 94.4 | Very high | 90.7 | Very high | 115 Ų | 115 | 54 Ų | 54 | 50% | 0.504 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | -178.2 | -176.9 | -109.1 | 0 | 0 | 0 | 111.8 | F137 V171 F172 F179 | F137-F175 AromaticContact CE1-CD1 3.69Å; F137-F175 HydrophobicContact CE1-CD1 3.69Å; F137-F175 AromaticContact CE1-CE1 3.85Å; F137-F175 HydrophobicContact CE1-CE1 3.85Å; F137-F175 AromaticContact CZ-CD1 3.91Å; F137-F175 HydrophobicContact CZ-CD1 3.91Å; F137-F175 AromaticContact CZ-CE1 3.64Å; F137-F175 HydrophobicContact CZ-CE1 3.64Å; V171-F175 WeakPolarHBondContact O-CB 3.21Å; V171-F175 PolarHBondContact O-N 3.4Å; F172-F175 PolarHBondContact O-N 3.43Å; F175-F179 WeakPolarHBondContact O-CB 3.38Å; F175-F179 PolarHBondContact O-N 2.99Å |
| 176 | F | 94.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 57.6 Ų | 57.6 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -53.4 | 177.1 | 165.8 | -114.6 | 0 | 0 | 0 | 112.2 | T87 T91 F137 L158 F172 T180 | T87-F176 HydrophobicContact CG2-CE1 4.31Å; T87-F176 HydrophobicContact CG2-CE2 4.23Å; T87-F176 HydrophobicContact CG2-CZ 3.76Å; T91-F176 HydrophobicContact CG2-CE2 4.2Å; T91-F176 VanDerWaalsContact OG1-CE2 3.24Å; T91-F176 WeakPolarHBondContact OG1-CE2 3.03Å; T91-F176 WeakPolarHBondContact OG1-CZ 3.43Å; F137-F176 HydrophobicContact CB-CD2 3.64Å; F137-F176 HydrophobicContact CB-CE2 3.89Å; F137-F176 HydrophobicContact CD1-CB 3.9Å; F137-F176 AromaticContact CD1-CD2 3.67Å; F137-F176 HydrophobicContact CD1-CD2 3.67Å; F137-F176 HydrophobicContact CD1-CG 4.22Å; F137-F176 HydrophobicContact CD2-CD2 4.17Å; F137-F176 HydrophobicContact CE1-CB 4.08Å; F137-F176 HydrophobicContact CE1-CD2 4.33Å; F137-F176 AromaticContact CG-CD2 3.57Å; F137-F176 HydrophobicContact CG-CD2 3.57Å; F137-F176 HydrophobicContact CG-CE2 4.22Å; L158-F176 HydrophobicContact CD1-CD1 3.74Å; L158-F176 HydrophobicContact CD1-CE1 3.78Å; F172-F176 HydrophobicContact CE1-CB 4.41Å; F172-F176 HydrophobicContact CZ-CB 4.47Å; F172-F176 WeakPolarHBondContact O-CB 3.39Å; F172-F176 PolarHBondContact O-N 2.88Å; F176-T180 WeakPolarHBondContact O-CB 3.31Å; F176-T180 PolarHBondContact O-N 3.3Å; F176-T180 PolarHBondContact O-OG1 3.06Å |
| 177 | H | 91.4 | Very high | 91.3 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.4 | -42.2 | -178.9 | -80.2 | -58.8 | 0 | 0 | 0 | 111.6 | T173 F181 V258 I262 | T173-H177 WeakPolarHBondContact O-CB 3.14Å; T173-H177 PolarHBondContact O-CD2 3.36Å; T173-H177 PolarHBondContact O-N 2.8Å; H177-F181 WeakPolarHBondContact O-CB 3.43Å; H177-F181 PolarHBondContact O-N 3.36Å; H177-V258 HydrophobicContact CB-CG1 3.96Å; H177-I262 HydrophobicContact CB-CD1 4.16Å |
| 178 | S | 87.8 | Confident | 91.2 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -61.7 | -55.1 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | V174 T180 L182 | V174-S178 WeakPolarHBondContact O-CB 3.38Å; V174-S178 PolarHBondContact O-N 3.25Å; V174-S178 PolarHBondContact O-OG 3.26Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.28Å; S178-L182 WeakPolarHBondContact O-CA 3.48Å; S178-L182 WeakPolarHBondContact O-CB 3.42Å; S178-L182 PolarHBondContact O-N 3.33Å |
| 179 | F | 90.5 | Very high | 91 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -63.8 | -35.5 | -175 | -165.1 | -109.6 | 0 | 0 | 0 | 112.2 | H133 F137 F175 L183 | H133-F179 AromaticContact CD2-CD1 3.93Å; H133-F179 AromaticContact CD2-CE1 3.66Å; H133-F179 AromaticContact NE2-CD1 3.11Å; H133-F179 WeakPolarHBondContact NE2-CD1 3.47Å; H133-F179 AromaticContact NE2-CE1 3.33Å; H133-F179 VanDerWaalsContact NE2-CE1 3.33Å; H133-F179 WeakPolarHBondContact NE2-CE1 3.32Å; F137-F179 HydrophobicContact CE2-CD1 4.11Å; F137-F179 HydrophobicContact CZ-CD1 4.19Å; F175-F179 WeakPolarHBondContact O-CB 3.38Å; F175-F179 PolarHBondContact O-N 2.99Å; F179-L183 WeakPolarHBondContact O-CB 3.34Å; F179-L183 PolarHBondContact O-N 3.12Å |
| 180 | T | 91.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -82.1 | -51.1 | 179.2 | -39.3 | 0 | 0 | 0 | 0 | 112.8 | T91 M94 L95 H133 F176 S178 S184 | T91-T180 HydrophobicContact CG2-CG2 3.66Å; M94-T180 HydrophobicContact CB-CG2 4.45Å; M94-T180 VanDerWaalsContact CE-C 3.4Å; M94-T180 HydrophobicContact CE-CG2 3.14Å; L95-T180 HydrophobicContact CD2-CG2 4.13Å; L95-T180 HydrophobicContact CG-CG2 4.13Å; H133-T180 PolarHBondContact CE1-OG1 3.45Å; H133-T180 VanDerWaalsContact CE1-OG1 3.3Å; F176-T180 WeakPolarHBondContact O-CB 3.31Å; F176-T180 PolarHBondContact O-N 3.3Å; F176-T180 PolarHBondContact O-OG1 3.06Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 3.28Å; T180-S184 WeakPolarHBondContact O-CB 3.48Å; T180-S184 PolarHBondContact O-N 3.39Å; T180-S184 VanDerWaalsContact O-N 3.13Å; T180-S184 PolarHBondContact O-OG 2.81Å |
| 181 | F | 91.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -72.7 | -45.3 | -174.3 | 178.9 | -95.5 | 0 | 0 | 0 | 111 | M94 H177 S184 F185 F250 M251 F254 A255 V258 | M94-F181 HydrophobicContact CE-CB 3.94Å; M94-F181 VanDerWaalsContact CE-N 3.34Å; M94-F181 HydrophobicContact SD-CB 4.21Å; M94-F181 HydrophobicContact SD-CD2 3.9Å; H177-F181 WeakPolarHBondContact O-CB 3.43Å; H177-F181 PolarHBondContact O-N 3.36Å; F181-S184 PolarHBondContact O-N 2.83Å; F181-F185 VanDerWaalsContact O-CB 3.26Å; F181-F185 WeakPolarHBondContact O-CB 3.33Å; F181-F185 PolarHBondContact O-N 2.65Å; F181-F250 AromaticContact CD2-CE1 3.79Å; F181-F250 HydrophobicContact CD2-CE1 3.79Å; F181-F250 HydrophobicContact CD2-CZ 4.07Å; F181-F250 HydrophobicContact CE2-CD1 4.33Å; F181-F250 AromaticContact CE2-CE1 3.55Å; F181-F250 HydrophobicContact CE2-CE1 3.55Å; F181-F250 HydrophobicContact CE2-CZ 4.27Å; F181-F250 HydrophobicContact CZ-CE1 4.25Å; F181-M251 HydrophobicContact CE1-CE 3.97Å; F181-M251 HydrophobicContact CE2-CE 3.71Å; F181-M251 HydrophobicContact CZ-CE 3.24Å; F181-M251 HydrophobicContact CZ-SD 4.09Å; F181-F254 HydrophobicContact CD2-CB 4.15Å; F181-F254 HydrophobicContact CE2-CB 3.87Å; F181-A255 HydrophobicContact CE2-CB 4.19Å; F181-A255 HydrophobicContact CZ-CB 3.71Å; F181-V258 HydrophobicContact CB-CG1 4.31Å; F181-V258 HydrophobicContact CB-CG2 4.37Å; F181-V258 HydrophobicContact CD1-CG1 4.44Å; F181-V258 HydrophobicContact CD2-CB 4.44Å; F181-V258 HydrophobicContact CD2-CG2 3.93Å; F181-V258 HydrophobicContact CE2-CG2 4.5Å; F181-V258 HydrophobicContact CG-CG1 4.23Å; F181-V258 HydrophobicContact CG-CG2 4.24Å |
| 182 | L | 89.3 | Confident | 89.8 | Confident | 88 Ų | 88 | 44.2 Ų | 44.2 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -66.6 | -41.8 | 179.5 | -171.8 | 60 | 0 | 0 | 0 | 111 | S178 S184 F185 I186 | S178-L182 WeakPolarHBondContact O-CA 3.48Å; S178-L182 WeakPolarHBondContact O-CB 3.42Å; S178-L182 PolarHBondContact O-N 3.33Å; L182-S184 PolarHBondContact O-N 2.68Å; L182-F185 HydrophobicContact CD1-CD1 4.44Å; L182-F185 PolarHBondContact O-N 3.08Å; L182-I186 HydrophobicContact CD1-CD1 3.96Å; L182-I186 HydrophobicContact CD1-CG1 4.02Å; L182-I186 HydrophobicContact CD2-CD1 4.27Å; L182-I186 HydrophobicContact CG-CD1 3.66Å; L182-I186 HydrophobicContact CG-CG1 4.15Å; L182-I186 VanDerWaalsContact O-CB 3.31Å; L182-I186 WeakPolarHBondContact O-CB 3.38Å; L182-I186 VanDerWaalsContact O-CG1 3.22Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 2.91Å |
| 183 | L | 90 | Very high | 89.3 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 27% | 0.272 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57 | -51 | 174.3 | 175.1 | 63.4 | 0 | 0 | 0 | 110.9 | L95 Y129 F179 F185 I186 V187 | L95-L183 HydrophobicContact CD2-CD2 3.99Å; Y129-L183 HydrophobicContact CE1-CD2 4.37Å; Y129-L183 VanDerWaalsContact OH-CD2 3.26Å; Y129-L183 WeakPolarHBondContact OH-CD2 3.11Å; F179-L183 WeakPolarHBondContact O-CB 3.34Å; F179-L183 PolarHBondContact O-N 3.12Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.03Å; L183-I186 PolarHBondContact O-N 3.16Å; L183-V187 HydrophobicContact CD1-CG2 4.24Å; L183-V187 WeakPolarHBondContact O-CB 3.41Å; L183-V187 VanDerWaalsContact O-CG2 3.25Å; L183-V187 WeakPolarHBondContact O-CG2 3.23Å; L183-V187 PolarHBondContact O-N 3.47Å |
| 184 | S | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | T180 F181 L182 L188 F250 | T180-S184 WeakPolarHBondContact O-CB 3.48Å; T180-S184 PolarHBondContact O-N 3.39Å; T180-S184 VanDerWaalsContact O-N 3.13Å; T180-S184 PolarHBondContact O-OG 2.81Å; F181-S184 PolarHBondContact O-N 2.83Å; L182-S184 PolarHBondContact O-N 2.68Å; S184-L188 VanDerWaalsContact O-CB 3.3Å; S184-L188 WeakPolarHBondContact O-CB 3.37Å; S184-L188 WeakPolarHBondContact O-CD1 3.44Å; S184-L188 VanDerWaalsContact O-CG 3.25Å; S184-L188 WeakPolarHBondContact O-CG 3.21Å; S184-L188 PolarHBondContact O-N 3.19Å; S184-F250 VanDerWaalsContact CB-CZ 3.47Å |
| 185 | F | 90.4 | Very high | 87.7 | Confident | 65 Ų | 65 | 50 Ų | 50 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -45.4 | 177.7 | 179.5 | -120.5 | 0 | 0 | 0 | 112.9 | F181 L182 L183 V187 L188 C189 M251 | F181-F185 VanDerWaalsContact O-CB 3.26Å; F181-F185 WeakPolarHBondContact O-CB 3.33Å; F181-F185 PolarHBondContact O-N 2.65Å; L182-F185 HydrophobicContact CD1-CD1 4.44Å; L182-F185 PolarHBondContact O-N 3.08Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.03Å; F185-V187 VanDerWaalsContact C-N 3.33Å; F185-V187 PolarHBondContact O-N 3.07Å; F185-L188 WeakPolarHBondContact O-CB 3.29Å; F185-L188 PolarHBondContact O-N 3.43Å; F185-C189 WeakPolarHBondContact CE2-SG 3.37Å; F185-C189 WeakPolarHBondContact CZ-SG 3.26Å; F185-C189 WeakPolarHBondContact O-CB 3.42Å; F185-C189 PolarHBondContact O-N 2.73Å; F185-C189 PolarHBondContact O-SG 3.18Å; F185-M251 HydrophobicContact CB-CE 3.96Å; F185-M251 HydrophobicContact CD2-CE 3.12Å; F185-M251 HydrophobicContact CD2-CG 4.42Å; F185-M251 HydrophobicContact CD2-SD 3.55Å; F185-M251 VanDerWaalsContact CD2-SD 3.55Å; F185-M251 HydrophobicContact CE2-CE 3.7Å; F185-M251 HydrophobicContact CE2-CG 4.16Å; F185-M251 HydrophobicContact CE2-SD 3.41Å; F185-M251 WeakPolarHBondContact CE2-SD 3.5Å; F185-M251 HydrophobicContact CG-CE 3.72Å; F185-M251 HydrophobicContact CG-SD 4.39Å; F185-M251 HydrophobicContact CZ-SD 4.2Å |
| 186 | I | 90.6 | Very high | 86.6 | Confident | 95 Ų | 95 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177 | -73.2 | 173 | 0 | 0 | 0 | 109.8 | L182 L183 L188 C189 F190 | L182-I186 HydrophobicContact CD1-CD1 3.96Å; L182-I186 HydrophobicContact CD1-CG1 4.02Å; L182-I186 HydrophobicContact CD2-CD1 4.27Å; L182-I186 HydrophobicContact CG-CD1 3.66Å; L182-I186 HydrophobicContact CG-CG1 4.15Å; L182-I186 VanDerWaalsContact O-CB 3.31Å; L182-I186 WeakPolarHBondContact O-CB 3.38Å; L182-I186 VanDerWaalsContact O-CG1 3.22Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 2.91Å; L183-I186 PolarHBondContact O-N 3.16Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 2.94Å; I186-C189 PolarHBondContact O-N 3.47Å; I186-F190 WeakPolarHBondContact O-CB 3.26Å; I186-F190 PolarHBondContact O-N 3.49Å |
| 187 | V | 89.1 | Confident | 85.7 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | A98 I102 L183 F185 F190 T191 | A98-V187 HydrophobicContact CB-CB 4.19Å; A98-V187 HydrophobicContact CB-CG1 3.92Å; I102-V187 HydrophobicContact CD1-CG1 3.6Å; I102-V187 HydrophobicContact CG1-CG1 3.54Å; L183-V187 HydrophobicContact CD1-CG2 4.24Å; L183-V187 WeakPolarHBondContact O-CB 3.41Å; L183-V187 VanDerWaalsContact O-CG2 3.25Å; L183-V187 WeakPolarHBondContact O-CG2 3.23Å; L183-V187 PolarHBondContact O-N 3.47Å; F185-V187 VanDerWaalsContact C-N 3.33Å; F185-V187 PolarHBondContact O-N 3.07Å; V187-F190 PolarHBondContact O-N 3.04Å; V187-T191 HydrophobicContact CG1-CG2 4.35Å; V187-T191 WeakPolarHBondContact O-CB 3.44Å; V187-T191 VanDerWaalsContact O-CG2 3.23Å; V187-T191 WeakPolarHBondContact O-CG2 3.29Å; V187-T191 PolarHBondContact O-N 2.89Å; V187-T191 PolarHBondContact O-OG1 3.41Å |
| 188 | L | 85.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 176.5 | -82.5 | 167.3 | 0 | 0 | 0 | 112.3 | S101 S184 F185 I186 T191 Y192 I247 F250 | S101-L188 VanDerWaalsContact CB-CD2 3.48Å; S184-L188 VanDerWaalsContact O-CB 3.3Å; S184-L188 WeakPolarHBondContact O-CB 3.37Å; S184-L188 WeakPolarHBondContact O-CD1 3.44Å; S184-L188 VanDerWaalsContact O-CG 3.25Å; S184-L188 WeakPolarHBondContact O-CG 3.21Å; S184-L188 PolarHBondContact O-N 3.19Å; F185-L188 WeakPolarHBondContact O-CB 3.29Å; F185-L188 PolarHBondContact O-N 3.43Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 2.94Å; L188-T191 WeakPolarHBondContact CA-OG1 3.45Å; L188-T191 PolarHBondContact O-OG1 2.89Å; L188-Y192 VanDerWaalsContact O-CB 3.32Å; L188-Y192 WeakPolarHBondContact O-CB 3.49Å; L188-Y192 PolarHBondContact O-N 3.29Å; L188-I247 HydrophobicContact CB-CG1 4.1Å; L188-I247 HydrophobicContact CD2-CG1 4.23Å; L188-F250 HydrophobicContact CD1-CB 3.97Å; L188-F250 HydrophobicContact CD1-CD1 3.82Å; L188-F250 HydrophobicContact CD1-CD2 3.54Å; L188-F250 HydrophobicContact CD1-CE1 4.2Å; L188-F250 HydrophobicContact CD1-CE2 3.92Å; L188-F250 HydrophobicContact CD1-CG 3.51Å; L188-F250 HydrophobicContact CD1-CZ 4.27Å |
| 189 | C | 87.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 25% | 0.25 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 177.4 | -77.7 | 0 | 0 | 0 | 0 | 112 | F185 I186 Y192 L193 | F185-C189 WeakPolarHBondContact CE2-SG 3.37Å; F185-C189 WeakPolarHBondContact CZ-SG 3.26Å; F185-C189 WeakPolarHBondContact O-CB 3.42Å; F185-C189 PolarHBondContact O-N 2.73Å; F185-C189 PolarHBondContact O-SG 3.18Å; I186-C189 PolarHBondContact O-N 3.47Å; C189-Y192 PolarHBondContact O-N 3.42Å; C189-L193 WeakPolarHBondContact O-CB 3.2Å; C189-L193 VanDerWaalsContact O-CG 3.3Å; C189-L193 WeakPolarHBondContact O-CG 3.33Å; C189-L193 PolarHBondContact O-N 2.96Å |
| 190 | F | 88.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 179 | 175.1 | -97.9 | 0 | 0 | 0 | 111.6 | W105 I186 V187 Y192 L193 K194 | W105-F190 HydrophobicContact CH2-CE1 4.49Å; I186-F190 WeakPolarHBondContact O-CB 3.26Å; I186-F190 PolarHBondContact O-N 3.49Å; V187-F190 PolarHBondContact O-N 3.04Å; F190-Y192 VanDerWaalsContact C-N 3.3Å; F190-Y192 PolarHBondContact O-N 3.32Å; F190-L193 PolarHBondContact O-N 3.3Å; F190-K194 HydrophobicContact CD1-CG 4.37Å; F190-K194 HydrophobicContact CD2-CG 4.48Å; F190-K194 HydrophobicContact CE1-CG 4.02Å; F190-K194 HydrophobicContact CE2-CD 4.44Å; F190-K194 HydrophobicContact CE2-CG 4.14Å; F190-K194 HydrophobicContact CZ-CD 4.26Å; F190-K194 HydrophobicContact CZ-CG 3.91Å; F190-K194 WeakPolarHBondContact O-CB 3.31Å; F190-K194 WeakPolarHBondContact O-CG 3.36Å; F190-K194 PolarHBondContact O-N 2.94Å |
| 191 | T | 82.6 | Confident | 80.8 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 178 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | S101 I102 W105 V187 L188 K194 V195 | S101-T191 PolarHBondContact OG-OG1 2.94Å; I102-T191 HydrophobicContact CG1-CG2 3.91Å; W105-T191 HydrophobicContact CB-CG2 3.87Å; W105-T191 HydrophobicContact CD2-CG2 4.36Å; W105-T191 HydrophobicContact CE3-CG2 4.31Å; W105-T191 HydrophobicContact CG-CG2 4.19Å; V187-T191 HydrophobicContact CG1-CG2 4.35Å; V187-T191 WeakPolarHBondContact O-CB 3.44Å; V187-T191 VanDerWaalsContact O-CG2 3.23Å; V187-T191 WeakPolarHBondContact O-CG2 3.29Å; V187-T191 PolarHBondContact O-N 2.89Å; V187-T191 PolarHBondContact O-OG1 3.41Å; L188-T191 WeakPolarHBondContact CA-OG1 3.45Å; L188-T191 PolarHBondContact O-OG1 2.89Å; T191-K194 PolarHBondContact O-N 2.82Å; T191-V195 WeakPolarHBondContact O-CG2 3.49Å; T191-V195 PolarHBondContact O-N 3.36Å |
| 192 | Y | 80.4 | Confident | 79.2 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 174 | 173.8 | -109.2 | 0 | 0 | 0 | 113.5 | L188 C189 F190 K194 V195 L196 T240 I243 I247 | L188-Y192 VanDerWaalsContact O-CB 3.32Å; L188-Y192 WeakPolarHBondContact O-CB 3.49Å; L188-Y192 PolarHBondContact O-N 3.29Å; C189-Y192 PolarHBondContact O-N 3.42Å; F190-Y192 VanDerWaalsContact C-N 3.3Å; F190-Y192 PolarHBondContact O-N 3.32Å; Y192-K194 VanDerWaalsContact C-N 3.27Å; Y192-K194 PolarHBondContact O-N 3.5Å; Y192-V195 PolarHBondContact O-N 2.94Å; Y192-L196 HydrophobicContact CD1-CD1 3.92Å; Y192-L196 HydrophobicContact CD1-CG 4.39Å; Y192-L196 HydrophobicContact CD2-CG 4.23Å; Y192-L196 HydrophobicContact CE1-CD1 3.31Å; Y192-L196 HydrophobicContact CE1-CG 4.06Å; Y192-L196 HydrophobicContact CE2-CD1 3.98Å; Y192-L196 HydrophobicContact CE2-CD2 4.06Å; Y192-L196 HydrophobicContact CE2-CG 3.89Å; Y192-L196 HydrophobicContact CG-CD1 4.5Å; Y192-L196 HydrophobicContact CG-CG 4.49Å; Y192-L196 WeakPolarHBondContact O-CB 3.49Å; Y192-L196 WeakPolarHBondContact O-CG 3.34Å; Y192-L196 PolarHBondContact O-N 2.7Å; Y192-T240 HydrophobicContact CE2-CG2 4.17Å; Y192-I243 HydrophobicContact CD2-CB 4.27Å; Y192-I243 HydrophobicContact CD2-CG2 3.68Å; Y192-I243 HydrophobicContact CG-CG2 4.27Å; Y192-I247 HydrophobicContact CD1-CD1 4.12Å; Y192-I247 HydrophobicContact CD2-CD1 4.05Å; Y192-I247 HydrophobicContact CG-CD1 3.61Å |
| 193 | L | 82.5 | Confident | 77.6 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 58% | 0.581 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 178.7 | -71.2 | 175.9 | 0 | 0 | 0 | 111.5 | C189 F190 L196 K197 | C189-L193 WeakPolarHBondContact O-CB 3.2Å; C189-L193 VanDerWaalsContact O-CG 3.3Å; C189-L193 WeakPolarHBondContact O-CG 3.33Å; C189-L193 PolarHBondContact O-N 2.96Å; F190-L193 PolarHBondContact O-N 3.3Å; L193-L196 PolarHBondContact O-N 3.49Å; L193-K197 WeakPolarHBondContact O-CB 3.3Å; L193-K197 PolarHBondContact O-N 2.82Å |
| 194 | K | 79.7 | Confident | 75.9 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 175.8 | -70.6 | -72.6 | -173.8 | 174.1 | 0 | 111.9 | W105 F190 T191 Y192 L196 K197 V198 | W105-K194 HydrophobicContact CZ2-CG 4.48Å; F190-K194 HydrophobicContact CD1-CG 4.37Å; F190-K194 HydrophobicContact CD2-CG 4.48Å; F190-K194 HydrophobicContact CE1-CG 4.02Å; F190-K194 HydrophobicContact CE2-CD 4.44Å; F190-K194 HydrophobicContact CE2-CG 4.14Å; F190-K194 HydrophobicContact CZ-CD 4.26Å; F190-K194 HydrophobicContact CZ-CG 3.91Å; F190-K194 WeakPolarHBondContact O-CB 3.31Å; F190-K194 WeakPolarHBondContact O-CG 3.36Å; F190-K194 PolarHBondContact O-N 2.94Å; T191-K194 PolarHBondContact O-N 2.82Å; Y192-K194 VanDerWaalsContact C-N 3.27Å; Y192-K194 PolarHBondContact O-N 3.5Å; K194-L196 VanDerWaalsContact C-N 3.33Å; K194-L196 PolarHBondContact O-N 2.92Å; K194-K197 PolarHBondContact O-N 3.3Å; K194-V198 WeakPolarHBondContact O-CB 3.49Å; K194-V198 VanDerWaalsContact O-CG2 3.26Å; K194-V198 WeakPolarHBondContact O-CG2 3.16Å; K194-V198 PolarHBondContact O-N 3.43Å |
| 195 | V | 72.8 | Confident | 74.2 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 111 | W105 V108 V109 T191 Y192 K197 V198 A199 I243 | W105-V195 HydrophobicContact CB-CG2 4.12Å; W105-V195 HydrophobicContact CG-CG2 4.3Å; V108-V195 HydrophobicContact CB-CG2 4.31Å; V108-V195 HydrophobicContact CG1-CG1 3.72Å; V108-V195 HydrophobicContact CG1-CG2 4.24Å; V109-V195 HydrophobicContact CG2-CG2 4.31Å; T191-V195 WeakPolarHBondContact O-CG2 3.49Å; T191-V195 PolarHBondContact O-N 3.36Å; Y192-V195 PolarHBondContact O-N 2.94Å; V195-K197 PolarHBondContact O-N 3.02Å; V195-V198 PolarHBondContact O-N 2.96Å; V195-A199 WeakPolarHBondContact O-CB 3.21Å; V195-A199 PolarHBondContact O-N 3.48Å; V195-I243 HydrophobicContact CB-CD1 3.67Å; V195-I243 HydrophobicContact CG1-CD1 3.47Å; V195-I243 VanDerWaalsContact CG1-CD1 3.47Å; V195-I243 HydrophobicContact CG2-CD1 3.55Å |
| 196 | L | 71.9 | Confident | 72.4 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 175.2 | -75.8 | -173.2 | 0 | 0 | 0 | 112.1 | Y192 L193 K194 A199 R200 T240 | Y192-L196 HydrophobicContact CD1-CD1 3.92Å; Y192-L196 HydrophobicContact CD1-CG 4.39Å; Y192-L196 HydrophobicContact CD2-CG 4.23Å; Y192-L196 HydrophobicContact CE1-CD1 3.31Å; Y192-L196 HydrophobicContact CE1-CG 4.06Å; Y192-L196 HydrophobicContact CE2-CD1 3.98Å; Y192-L196 HydrophobicContact CE2-CD2 4.06Å; Y192-L196 HydrophobicContact CE2-CG 3.89Å; Y192-L196 HydrophobicContact CG-CD1 4.5Å; Y192-L196 HydrophobicContact CG-CG 4.49Å; Y192-L196 WeakPolarHBondContact O-CB 3.49Å; Y192-L196 WeakPolarHBondContact O-CG 3.34Å; Y192-L196 PolarHBondContact O-N 2.7Å; L193-L196 PolarHBondContact O-N 3.49Å; K194-L196 VanDerWaalsContact C-N 3.33Å; K194-L196 PolarHBondContact O-N 2.92Å; L196-A199 PolarHBondContact O-N 3.45Å; L196-R200 WeakPolarHBondContact O-CB 3.19Å; L196-R200 VanDerWaalsContact O-CG 3.3Å; L196-R200 WeakPolarHBondContact O-CG 3.46Å; L196-R200 PolarHBondContact O-N 3.49Å; L196-T240 HydrophobicContact CD2-CG2 3.52Å |
| 197 | K | 76.3 | Confident | 70.5 | Confident | 151 Ų | 151 | 72.3 Ų | 72.3 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 179.8 | -173.5 | 169.2 | -177.3 | 162 | 0 | 111.1 | L193 K194 V195 R200 F201 | L193-K197 WeakPolarHBondContact O-CB 3.3Å; L193-K197 PolarHBondContact O-N 2.82Å; K194-K197 PolarHBondContact O-N 3.3Å; V195-K197 PolarHBondContact O-N 3.02Å; K197-R200 PolarHBondContact O-N 2.86Å; K197-F201 VanDerWaalsContact O-CB 3.29Å; K197-F201 WeakPolarHBondContact O-CB 3.41Å; K197-F201 PolarHBondContact O-N 3.44Å |
| 198 | V | 65.8 | Low | 68.8 | Low | 31 Ų | 31 | 75 Ų | 75 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V109 K194 V195 R200 F201 H202 | V109-V198 HydrophobicContact CB-CG1 4.41Å; V109-V198 HydrophobicContact CB-CG2 4.37Å; V109-V198 HydrophobicContact CG1-CG1 4.24Å; V109-V198 HydrophobicContact CG1-CG2 3.75Å; V109-V198 HydrophobicContact CG2-CB 3.97Å; V109-V198 HydrophobicContact CG2-CG1 4.02Å; V109-V198 HydrophobicContact CG2-CG2 3.76Å; K194-V198 WeakPolarHBondContact O-CB 3.49Å; K194-V198 VanDerWaalsContact O-CG2 3.26Å; K194-V198 WeakPolarHBondContact O-CG2 3.16Å; K194-V198 PolarHBondContact O-N 3.43Å; V195-V198 PolarHBondContact O-N 2.96Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 3.48Å; V198-F201 PolarHBondContact O-N 3.36Å; V198-H202 WeakPolarHBondContact CG1-CD2 3.48Å; V198-H202 WeakPolarHBondContact O-CB 3.16Å; V198-H202 PolarHBondContact O-CD2 3.28Å; V198-H202 PolarHBondContact O-N 2.87Å |
| 199 | A | 62.7 | Low | 67.3 | Low | 21 Ų | 21 | 78.5 Ų | 78.5 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V195 L196 C203 R236 | V195-A199 WeakPolarHBondContact O-CB 3.21Å; V195-A199 PolarHBondContact O-N 3.48Å; L196-A199 PolarHBondContact O-N 3.45Å; A199-C203 PolarHBondContact O-N 3.47Å; A199-C203 PolarHBondContact O-SG 3.48Å; A199-C203 VanDerWaalsContact O-SG 3.36Å; A199-R236 PolarHBondContact O-NH1 3.21Å |
| 200 | R | 65 | Low | 65.6 | Low | 172 Ų | 172 | 78.3 Ų | 78.3 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -71.9 | -39.5 | 175.6 | -70.7 | -177.7 | -166.3 | -178.5 | 4.9 | 112.2 | L196 K197 V198 C203 K204 | L196-R200 WeakPolarHBondContact O-CB 3.19Å; L196-R200 VanDerWaalsContact O-CG 3.3Å; L196-R200 WeakPolarHBondContact O-CG 3.46Å; L196-R200 PolarHBondContact O-N 3.49Å; K197-R200 PolarHBondContact O-N 2.86Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 3.48Å; R200-C203 WeakPolarHBondContact O-CB 3.41Å; R200-C203 PolarHBondContact O-N 2.89Å; R200-C203 VanDerWaalsContact O-N 3.12Å; R200-K204 PolarHBondContact O-N 2.9Å |
| 201 | F | 63.9 | Low | 63.7 | Low | 118 Ų | 118 | 79.2 Ų | 79.2 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 179.2 | -176.5 | -99.6 | 0 | 0 | 0 | 112.1 | K197 V198 C203 K204 R205 | K197-F201 VanDerWaalsContact O-CB 3.29Å; K197-F201 WeakPolarHBondContact O-CB 3.41Å; K197-F201 PolarHBondContact O-N 3.44Å; V198-F201 PolarHBondContact O-N 3.36Å; F201-C203 PolarHBondContact O-N 3.26Å; F201-K204 PolarHBondContact O-N 2.94Å; F201-R205 VanDerWaalsContact CE1-CD 3.43Å; F201-R205 HydrophobicContact CE1-CG 4.01Å; F201-R205 HydrophobicContact CZ-CG 4.07Å; F201-R205 PolarHBondContact O-N 3.27Å |
| 202 | H | 57.8 | Low | 62 | Low | 88 Ų | 88 | 85.4 Ų | 85.4 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.4 | -16.9 | 172.1 | -72.1 | -70.5 | 0 | 0 | 0 | 112.6 | V198 I206 R236 | V198-H202 WeakPolarHBondContact CG1-CD2 3.48Å; V198-H202 WeakPolarHBondContact O-CB 3.16Å; V198-H202 PolarHBondContact O-CD2 3.28Å; V198-H202 PolarHBondContact O-N 2.87Å; H202-I206 WeakPolarHBondContact O-CB 3.45Å; H202-I206 WeakPolarHBondContact O-CD1 3.33Å; H202-I206 WeakPolarHBondContact O-CG1 3.4Å; H202-I206 PolarHBondContact O-N 3.46Å; H202-R236 PolarHBondContact O-NH1 2.89Å; H202-R236 PolarHBondContact O-NH2 3.29Å |
| 203 | C | 54.8 | Low | 60.6 | Low | 56 Ų | 56 | 85.1 Ų | 85.1 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -76.2 | -51.6 | 172.1 | -82.8 | 0 | 0 | 0 | 0 | 108.1 | A199 R200 F201 R205 I206 D207 R236 | A199-C203 PolarHBondContact O-N 3.47Å; A199-C203 PolarHBondContact O-SG 3.48Å; A199-C203 VanDerWaalsContact O-SG 3.36Å; R200-C203 WeakPolarHBondContact O-CB 3.41Å; R200-C203 PolarHBondContact O-N 2.89Å; R200-C203 VanDerWaalsContact O-N 3.12Å; F201-C203 PolarHBondContact O-N 3.26Å; C203-R205 PolarHBondContact O-N 2.98Å; C203-I206 PolarHBondContact O-N 3.29Å; C203-D207 PolarHBondContact O-N 3.19Å; C203-R236 VanDerWaalsContact CA-NH1 3.3Å; C203-R236 PolarHBondContact SG-NH1 2.96Å |
| 204 | K | 55.4 | Low | 59 | Low | 154 Ų | 154 | 83.3 Ų | 83.3 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.7 | -44.5 | 177.8 | -69.5 | -166.5 | 175.7 | -166.9 | 0 | 112.9 | R200 F201 I206 D207 V208 | R200-K204 PolarHBondContact O-N 2.9Å; F201-K204 PolarHBondContact O-N 2.94Å; K204-I206 VanDerWaalsContact C-N 3.3Å; K204-I206 PolarHBondContact O-N 3.09Å; K204-D207 PolarHBondContact O-N 3.03Å; K204-V208 WeakPolarHBondContact O-CB 3.25Å; K204-V208 WeakPolarHBondContact O-CG2 3.38Å; K204-V208 PolarHBondContact O-N 3.23Å |
| 205 | R | 55.5 | Low | 57.7 | Low | 139 Ų | 139 | 85 Ų | 85 | 53% | 0.525 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.9 | -29.9 | 176.9 | -83.1 | -164.8 | 71.3 | -178.1 | 3 | 113.2 | F201 C203 I209 | F201-R205 VanDerWaalsContact CE1-CD 3.43Å; F201-R205 HydrophobicContact CE1-CG 4.01Å; F201-R205 HydrophobicContact CZ-CG 4.07Å; F201-R205 PolarHBondContact O-N 3.27Å; C203-R205 PolarHBondContact O-N 2.98Å; R205-I209 VanDerWaalsContact O-CB 3.24Å; R205-I209 WeakPolarHBondContact O-CB 3.44Å; R205-I209 WeakPolarHBondContact O-CD1 3.41Å; R205-I209 WeakPolarHBondContact O-CG1 3.35Å; R205-I209 PolarHBondContact O-N 2.92Å |
| 206 | I | 52.8 | Low | 56.7 | Low | 37 Ų | 37 | 91.9 Ų | 91.9 | 19% | 0.19 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -81.9 | -35 | 177.7 | -68.9 | -179.5 | 0 | 0 | 0 | 110.9 | H202 C203 K204 V208 T210 L229 | H202-I206 WeakPolarHBondContact O-CB 3.45Å; H202-I206 WeakPolarHBondContact O-CD1 3.33Å; H202-I206 WeakPolarHBondContact O-CG1 3.4Å; H202-I206 PolarHBondContact O-N 3.46Å; C203-I206 PolarHBondContact O-N 3.29Å; K204-I206 VanDerWaalsContact C-N 3.3Å; K204-I206 PolarHBondContact O-N 3.09Å; I206-V208 VanDerWaalsContact C-N 3.3Å; I206-V208 PolarHBondContact O-N 3.13Å; I206-T210 HydrophobicContact CG2-CG2 3.79Å; I206-T210 WeakPolarHBondContact O-CA 3.5Å; I206-T210 WeakPolarHBondContact O-CB 3.45Å; I206-T210 WeakPolarHBondContact O-CG2 3.32Å; I206-T210 PolarHBondContact O-N 3.01Å; I206-T210 PolarHBondContact O-OG1 2.99Å; I206-L229 HydrophobicContact CG2-CD2 4.3Å |
| 207 | D | 50.8 | Low | 55.9 | Low | 91 Ų | 91 | 95.1 Ų | 95.1 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 168.1 | -73.2 | -23.1 | 0 | 0 | 0 | 110.3 | C203 K204 T210 M211 | C203-D207 PolarHBondContact O-N 3.19Å; K204-D207 PolarHBondContact O-N 3.03Å; D207-T210 PolarHBondContact O-OG1 3.07Å; D207-M211 WeakPolarHBondContact O-CB 3.18Å; D207-M211 WeakPolarHBondContact O-CG 3.14Å; D207-M211 PolarHBondContact O-N 3.19Å |
| 208 | V | 52.6 | Low | 54.9 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -47 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 112.6 | K204 I206 M211 Q212 | K204-V208 WeakPolarHBondContact O-CB 3.25Å; K204-V208 WeakPolarHBondContact O-CG2 3.38Å; K204-V208 PolarHBondContact O-N 3.23Å; I206-V208 VanDerWaalsContact C-N 3.3Å; I206-V208 PolarHBondContact O-N 3.13Å; V208-M211 WeakPolarHBondContact O-CB 3.44Å; V208-M211 PolarHBondContact O-N 3.25Å; V208-Q212 PolarHBondContact O-N 2.92Å |
| 209 | I | 54.9 | Low | 54.3 | Low | 74 Ų | 74 | 100 Ų | 100 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 178.9 | -67.6 | 166.6 | 0 | 0 | 0 | 110.8 | R205 M211 Q212 T213 | R205-I209 VanDerWaalsContact O-CB 3.24Å; R205-I209 WeakPolarHBondContact O-CB 3.44Å; R205-I209 WeakPolarHBondContact O-CD1 3.41Å; R205-I209 WeakPolarHBondContact O-CG1 3.35Å; R205-I209 PolarHBondContact O-N 2.92Å; I209-M211 VanDerWaalsContact C-N 3.26Å; I209-M211 PolarHBondContact O-N 3.24Å; I209-Q212 PolarHBondContact O-N 3.17Å; I209-T213 WeakPolarHBondContact O-CB 3.42Å; I209-T213 PolarHBondContact O-N 3.41Å; I209-T213 PolarHBondContact O-OG1 2.95Å |
| 210 | T | 51.3 | Low | 54.1 | Low | 33 Ų | 33 | 103.5 Ų | 103.5 | 20% | 0.202 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -69 | -24.8 | 173.5 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | I206 D207 L214 | I206-T210 HydrophobicContact CG2-CG2 3.79Å; I206-T210 WeakPolarHBondContact O-CA 3.5Å; I206-T210 WeakPolarHBondContact O-CB 3.45Å; I206-T210 WeakPolarHBondContact O-CG2 3.32Å; I206-T210 PolarHBondContact O-N 3.01Å; I206-T210 PolarHBondContact O-OG1 2.99Å; D207-T210 PolarHBondContact O-OG1 3.07Å; T210-L214 WeakPolarHBondContact O-CB 3.49Å; T210-L214 WeakPolarHBondContact O-CD1 3.25Å; T210-L214 WeakPolarHBondContact O-CG 3.21Å; T210-L214 PolarHBondContact O-N 3.45Å |
| 211 | M | 48.4 | Very low | 54.1 | Low | 118 Ų | 118 | 101.3 Ų | 101.3 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73.7 | -38.3 | 167.9 | -77.9 | -74.3 | 159.5 | 0 | 0 | 112.6 | D207 V208 I209 L214 | D207-M211 WeakPolarHBondContact O-CB 3.18Å; D207-M211 WeakPolarHBondContact O-CG 3.14Å; D207-M211 PolarHBondContact O-N 3.19Å; V208-M211 WeakPolarHBondContact O-CB 3.44Å; V208-M211 PolarHBondContact O-N 3.25Å; I209-M211 VanDerWaalsContact C-N 3.26Å; I209-M211 PolarHBondContact O-N 3.24Å; M211-L214 HydrophobicContact CE-CD1 4Å; M211-L214 WeakPolarHBondContact O-CB 3.24Å; M211-L214 HydrophobicContact SD-CD1 3.75Å |
| 212 | Q | 47.4 | Very low | 54.1 | Low | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.6 | -42 | 175.8 | -102.3 | 170.8 | -20.7 | 0 | 0 | 112.9 | V208 I209 L214 V215 L216 | V208-Q212 PolarHBondContact O-N 2.92Å; I209-Q212 PolarHBondContact O-N 3.17Å; Q212-L214 VanDerWaalsContact C-N 3.28Å; Q212-L214 PolarHBondContact O-N 3.39Å; Q212-V215 PolarHBondContact O-N 3.49Å; Q212-L216 PolarHBondContact O-N 3.08Å |
| 213 | T | 50.9 | Low | 54.7 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.7 | -25.2 | 173 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | I209 V215 L216 L217 | I209-T213 WeakPolarHBondContact O-CB 3.42Å; I209-T213 PolarHBondContact O-N 3.41Å; I209-T213 PolarHBondContact O-OG1 2.95Å; T213-V215 VanDerWaalsContact C-N 3.29Å; T213-V215 PolarHBondContact O-N 3.29Å; T213-L216 PolarHBondContact O-N 3.46Å; T213-L217 HydrophobicContact CG2-CB 4.3Å; T213-L217 HydrophobicContact CG2-CD1 3.47Å; T213-L217 VanDerWaalsContact CG2-CD1 3.47Å; T213-L217 HydrophobicContact CG2-CG 4.01Å; T213-L217 WeakPolarHBondContact O-CB 3.36Å; T213-L217 PolarHBondContact O-N 2.82Å |
| 214 | L | 49.3 | Very low | 55.3 | Low | 73 Ų | 73 | 98 Ų | 98 | 38% | 0.382 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 169 | -120.1 | 163.8 | 0 | 0 | 0 | 113 | T210 M211 Q212 L216 R225 | T210-L214 WeakPolarHBondContact O-CB 3.49Å; T210-L214 WeakPolarHBondContact O-CD1 3.25Å; T210-L214 WeakPolarHBondContact O-CG 3.21Å; T210-L214 PolarHBondContact O-N 3.45Å; M211-L214 HydrophobicContact CE-CD1 4Å; M211-L214 WeakPolarHBondContact O-CB 3.24Å; M211-L214 HydrophobicContact SD-CD1 3.75Å; Q212-L214 VanDerWaalsContact C-N 3.28Å; Q212-L214 PolarHBondContact O-N 3.39Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-R225 VanDerWaalsContact CD1-CZ 3.42Å; L214-R225 VanDerWaalsContact CD1-NH1 3.27Å |
| 215 | V | 50.8 | Low | 55.6 | Low | 124 Ų | 124 | 94.7 Ų | 94.7 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.4 | -22 | 179.4 | 175 | 0 | 0 | 0 | 0 | 110.8 | Q212 T213 | Q212-V215 PolarHBondContact O-N 3.49Å; T213-V215 VanDerWaalsContact C-N 3.29Å; T213-V215 PolarHBondContact O-N 3.29Å |
| 216 | L | 53.1 | Low | 56.3 | Low | 147 Ų | 147 | 93.3 Ų | 93.3 | 77% | 0.77 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -109.6 | -17.5 | -170.6 | -133 | 128.3 | 0 | 0 | 0 | 114.8 | Q212 T213 L214 | Q212-L216 PolarHBondContact O-N 3.08Å; T213-L216 PolarHBondContact O-N 3.46Å; L214-L216 VanDerWaalsContact C-N 3.3Å |
| 217 | L | 54.3 | Low | 57.2 | Low | 93 Ų | 93 | 98.9 Ų | 98.9 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | trans | -120.5 | 87.9 | 176.8 | -74.8 | 176.4 | 0 | 0 | 0 | 110.4 | T213 D219 I220 | T213-L217 HydrophobicContact CG2-CB 4.3Å; T213-L217 HydrophobicContact CG2-CD1 3.47Å; T213-L217 VanDerWaalsContact CG2-CD1 3.47Å; T213-L217 HydrophobicContact CG2-CG 4.01Å; T213-L217 WeakPolarHBondContact O-CB 3.36Å; T213-L217 PolarHBondContact O-N 2.82Å; L217-D219 PolarHBondContact O-N 2.93Å; L217-I220 HydrophobicContact CD1-CD1 3.96Å | ||
| 218 | V | 54.9 | Low | 57.9 | Low | 131 Ų | 131 | 96.4 Ų | 96.4 | 79% | 0.794 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -9.6 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 219 | D | 53.2 | Low | 58.7 | Low | 153 Ų | 153 | 94.5 Ų | 94.5 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 10.5 | -166.3 | -82.6 | -53.1 | 0 | 0 | 0 | 117.9 | L217 H221 | L217-D219 PolarHBondContact O-N 2.93Å; D219-H221 PolarHBondContact O-N 3.48Å |
| 220 | I | 60 | Low | 59.5 | Low | 95 Ų | 95 | 94.9 Ų | 94.9 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -89.7 | 110.8 | 172.8 | -59 | -179.3 | 0 | 0 | 0 | 110.2 | L217 V224 R225 | L217-I220 HydrophobicContact CD1-CD1 3.96Å; I220-V224 HydrophobicContact CG2-CB 4.36Å; I220-R225 HydrophobicContact CG2-CB 4.44Å |
| 221 | H | 63 | Low | 60.4 | Low | 126 Ų | 126 | 96.5 Ų | 96.5 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | trans | -48.5 | 128.8 | 176.6 | -166.1 | -89.7 | 0 | 0 | 0 | 111.4 | D219 S223 V224 | D219-H221 PolarHBondContact O-N 3.48Å; H221-S223 PolarHBondContact CE1-OG 2.91Å; H221-S223 PolarHBondContact ND1-OG 3.37Å; H221-S223 PolarHBondContact O-N 3.5Å; H221-V224 PolarHBondContact O-N 2.99Å | ||
| 222 | P | 65.8 | Low | 61.2 | Low | 96 Ų | 96 | 94 Ų | 94 | 62% | 0.623 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.4 | -27.5 | -169.1 | 19.2 | -32.2 | 0 | 0 | 0 | 113.7 | Q226 | P222-Q226 PolarHBondContact O-N 2.76Å; P222-Q226 VanDerWaalsContact O-N 3.12Å |
| 223 | S | 69.9 | Low | 62.1 | Low | 48 Ų | 48 | 94.2 Ų | 94.2 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -31 | 177.3 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | H221 R227 | H221-S223 PolarHBondContact CE1-OG 2.91Å; H221-S223 PolarHBondContact ND1-OG 3.37Å; H221-S223 PolarHBondContact O-N 3.5Å; S223-R227 WeakPolarHBondContact O-CG 3.46Å; S223-R227 PolarHBondContact O-N 3.19Å |
| 224 | V | 66.9 | Low | 63.1 | Low | 49 Ų | 49 | 98.2 Ų | 98.2 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77 | -39.6 | 179.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | I220 H221 R227 C228 I355 | I220-V224 HydrophobicContact CG2-CB 4.36Å; H221-V224 PolarHBondContact O-N 2.99Å; V224-R227 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-N 3.08Å; V224-C228 VanDerWaalsContact O-N 3.12Å; V224-I355 HydrophobicContact CG1-CD1 3.83Å |
| 225 | R | 61.2 | Low | 63.8 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 32% | 0.321 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 175.3 | 178.7 | 177.6 | 175.8 | -151.2 | -4.2 | 112.2 | L214 I220 R227 C228 L229 | L214-R225 VanDerWaalsContact CD1-CZ 3.42Å; L214-R225 VanDerWaalsContact CD1-NH1 3.27Å; I220-R225 HydrophobicContact CG2-CB 4.44Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-R227 PolarHBondContact O-N 3.09Å; R225-C228 PolarHBondContact O-N 3.39Å; R225-L229 HydrophobicContact CG-CD1 3.98Å; R225-L229 PolarHBondContact O-N 3.22Å; R225-L229 VanDerWaalsContact O-N 3.12Å |
| 226 | Q | 70.6 | Confident | 64.4 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 179.3 | -171.1 | 69.5 | -0.1 | 0 | 0 | 111.4 | P222 C228 L229 E230 | P222-Q226 PolarHBondContact O-N 2.76Å; P222-Q226 VanDerWaalsContact O-N 3.12Å; Q226-C228 PolarHBondContact O-N 3.06Å; Q226-L229 PolarHBondContact O-N 3.37Å; Q226-E230 PolarHBondContact NE2-OE1 3.37Å; Q226-E230 WeakPolarHBondContact O-CB 3.36Å; Q226-E230 WeakPolarHBondContact O-CG 3.3Å; Q226-E230 PolarHBondContact O-N 3.01Å |
| 227 | R | 71.8 | Confident | 65.1 | Low | 154 Ų | 154 | 94.5 Ų | 94.5 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.8 | -42.9 | 175.9 | -78.1 | -170.6 | -122 | -166.4 | -4.2 | 112.9 | S223 V224 R225 E230 E231 | S223-R227 WeakPolarHBondContact O-CG 3.46Å; S223-R227 PolarHBondContact O-N 3.19Å; V224-R227 PolarHBondContact O-N 3.28Å; R225-R227 VanDerWaalsContact C-N 3.32Å; R225-R227 PolarHBondContact O-N 3.09Å; R227-E230 PolarHBondContact O-N 3.45Å; R227-E231 WeakPolarHBondContact O-CB 3.43Å; R227-E231 WeakPolarHBondContact O-CG 3.34Å; R227-E231 PolarHBondContact O-N 2.92Å |
| 228 | C | 66.3 | Low | 66 | Low | 40 Ų | 40 | 97 Ų | 97 | 27% | 0.27 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -44.1 | -178.6 | -157.5 | 0 | 0 | 0 | 0 | 112.1 | V224 R225 Q226 E231 Q232 C349 | V224-C228 PolarHBondContact O-N 3.08Å; V224-C228 VanDerWaalsContact O-N 3.12Å; R225-C228 PolarHBondContact O-N 3.39Å; Q226-C228 PolarHBondContact O-N 3.06Å; C228-E231 PolarHBondContact O-N 3.13Å; C228-Q232 WeakPolarHBondContact O-CB 3.5Å; C228-Q232 PolarHBondContact O-N 2.87Å; C228-C349 VanDerWaalsContact SG-SG 3.63Å |
| 229 | L | 68.1 | Low | 66.5 | Low | 45 Ų | 45 | 92 Ų | 92 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 173.7 | -87.3 | 146 | 0 | 0 | 0 | 112.1 | I206 R225 Q226 Q232 K233 | I206-L229 HydrophobicContact CG2-CD2 4.3Å; R225-L229 HydrophobicContact CG-CD1 3.98Å; R225-L229 PolarHBondContact O-N 3.22Å; R225-L229 VanDerWaalsContact O-N 3.12Å; Q226-L229 PolarHBondContact O-N 3.37Å; L229-Q232 PolarHBondContact O-N 2.92Å; L229-K233 WeakPolarHBondContact O-CB 3.48Å; L229-K233 PolarHBondContact O-N 2.81Å |
| 230 | E | 72.5 | Confident | 67.3 | Low | 81 Ų | 81 | 86.2 Ų | 86.2 | 38% | 0.379 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 177 | -78.1 | -176.4 | -167.4 | 0 | 0 | 112.6 | Q226 R227 Q232 K233 R234 | Q226-E230 PolarHBondContact NE2-OE1 3.37Å; Q226-E230 WeakPolarHBondContact O-CB 3.36Å; Q226-E230 WeakPolarHBondContact O-CG 3.3Å; Q226-E230 PolarHBondContact O-N 3.01Å; R227-E230 PolarHBondContact O-N 3.45Å; E230-Q232 VanDerWaalsContact C-N 3.29Å; E230-Q232 PolarHBondContact O-N 2.92Å; E230-K233 PolarHBondContact O-N 2.89Å; E230-R234 WeakPolarHBondContact O-CB 3.49Å; E230-R234 VanDerWaalsContact O-CG 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.33Å; E230-R234 PolarHBondContact O-N 2.88Å |
| 231 | E | 69.5 | Low | 68 | Low | 68 Ų | 68 | 90.2 Ų | 90.2 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 173.8 | -84 | -161.2 | -177.3 | 0 | 0 | 111.4 | R227 C228 R234 R235 | R227-E231 WeakPolarHBondContact O-CB 3.43Å; R227-E231 WeakPolarHBondContact O-CG 3.34Å; R227-E231 PolarHBondContact O-N 2.92Å; C228-E231 PolarHBondContact O-N 3.13Å; E231-R234 PolarHBondContact O-N 3.38Å; E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.3Å; E231-R235 PolarHBondContact O-N 3.44Å; E231-R235 IonicContact OE2-NH2 3.35Å; E231-R235 PolarHBondContact OE2-NH2 3.4Å |
| 232 | Q | 64.9 | Low | 68.5 | Low | 65 Ų | 65 | 89.2 Ų | 89.2 | 30% | 0.304 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 179.8 | -157.5 | 179.1 | 9.5 | 0 | 0 | 112.2 | C228 L229 E230 R235 R236 | C228-Q232 WeakPolarHBondContact O-CB 3.5Å; C228-Q232 PolarHBondContact O-N 2.87Å; L229-Q232 PolarHBondContact O-N 2.92Å; E230-Q232 VanDerWaalsContact C-N 3.29Å; E230-Q232 PolarHBondContact O-N 2.92Å; Q232-R235 PolarHBondContact O-N 2.75Å; Q232-R236 VanDerWaalsContact O-CG 3.3Å; Q232-R236 WeakPolarHBondContact O-CG 3.3Å; Q232-R236 PolarHBondContact O-N 3.39Å |
| 233 | K | 66.8 | Low | 68.8 | Low | 138 Ų | 138 | 85.1 Ų | 85.1 | 60% | 0.6 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.4 | -45.1 | 171.7 | -174.3 | 178.1 | 179.9 | 180 | 0 | 111.1 | L229 E230 R236 Q237 | L229-K233 WeakPolarHBondContact O-CB 3.48Å; L229-K233 PolarHBondContact O-N 2.81Å; E230-K233 PolarHBondContact O-N 2.89Å; K233-R236 PolarHBondContact O-N 2.97Å; K233-Q237 WeakPolarHBondContact O-CB 3.44Å; K233-Q237 WeakPolarHBondContact O-CG 3.4Å; K233-Q237 PolarHBondContact O-N 2.94Å |
| 234 | R | 71.3 | Confident | 69.1 | Low | 143 Ų | 143 | 85.7 Ų | 85.7 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.6 | -76.2 | 176.2 | -176.6 | -149.9 | 0.6 | 111.8 | E230 E231 R236 Q237 R238 | E230-R234 WeakPolarHBondContact O-CB 3.49Å; E230-R234 VanDerWaalsContact O-CG 3.27Å; E230-R234 WeakPolarHBondContact O-CG 3.33Å; E230-R234 PolarHBondContact O-N 2.88Å; E231-R234 PolarHBondContact O-N 3.38Å; R234-R236 VanDerWaalsContact C-N 3.31Å; R234-R236 PolarHBondContact O-N 3.23Å; R234-Q237 PolarHBondContact O-N 3.42Å; R234-R238 WeakPolarHBondContact O-CB 3.32Å; R234-R238 WeakPolarHBondContact O-CD 3.27Å; R234-R238 WeakPolarHBondContact O-CG 3.45Å; R234-R238 PolarHBondContact O-N 3.19Å |
| 235 | R | 64.1 | Low | 69.9 | Low | 112 Ų | 112 | 86.3 Ų | 86.3 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 177.4 | -72.2 | 177.7 | -167.8 | -158.3 | 11.8 | 111.5 | E231 Q232 R238 A239 D348 | E231-R235 VanDerWaalsContact O-CG 3.31Å; E231-R235 WeakPolarHBondContact O-CG 3.3Å; E231-R235 PolarHBondContact O-N 3.44Å; E231-R235 IonicContact OE2-NH2 3.35Å; E231-R235 PolarHBondContact OE2-NH2 3.4Å; Q232-R235 PolarHBondContact O-N 2.75Å; R235-R238 WeakPolarHBondContact O-CB 3.41Å; R235-R238 PolarHBondContact O-N 3.45Å; R235-A239 PolarHBondContact O-N 3.05Å; R235-A239 VanDerWaalsContact O-N 3.11Å; R235-D348 PolarHBondContact NH1-O 2.76Å |
| 236 | R | 64.3 | Low | 70.8 | Confident | 40 Ų | 40 | 82.5 Ų | 82.5 | 15% | 0.151 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 176.9 | -70 | 170.6 | -171.9 | -149.6 | 14.3 | 112.9 | A199 H202 C203 Q232 K233 R234 R238 A239 T240 | A199-R236 PolarHBondContact O-NH1 3.21Å; H202-R236 PolarHBondContact O-NH1 2.89Å; H202-R236 PolarHBondContact O-NH2 3.29Å; C203-R236 VanDerWaalsContact CA-NH1 3.3Å; C203-R236 PolarHBondContact SG-NH1 2.96Å; Q232-R236 VanDerWaalsContact O-CG 3.3Å; Q232-R236 WeakPolarHBondContact O-CG 3.3Å; Q232-R236 PolarHBondContact O-N 3.39Å; K233-R236 PolarHBondContact O-N 2.97Å; R234-R236 VanDerWaalsContact C-N 3.31Å; R234-R236 PolarHBondContact O-N 3.23Å; R236-R238 PolarHBondContact O-N 3.4Å; R236-A239 WeakPolarHBondContact O-CB 3.31Å; R236-A239 PolarHBondContact O-N 2.73Å; R236-T240 PolarHBondContact O-N 3.13Å; R236-T240 PolarHBondContact O-OG1 2.62Å |
| 237 | Q | 68.5 | Low | 71.5 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 174.4 | -80.4 | -179.3 | -25.5 | 0 | 0 | 111.3 | K233 R234 A239 R241 | K233-Q237 WeakPolarHBondContact O-CB 3.44Å; K233-Q237 WeakPolarHBondContact O-CG 3.4Å; K233-Q237 PolarHBondContact O-N 2.94Å; R234-Q237 PolarHBondContact O-N 3.42Å; Q237-A239 VanDerWaalsContact C-N 3.35Å; Q237-A239 PolarHBondContact O-N 3.3Å; Q237-R241 WeakPolarHBondContact O-CB 3.44Å; Q237-R241 PolarHBondContact O-N 3.43Å |
| 238 | R | 72.3 | Confident | 72.3 | Confident | 145 Ų | 145 | 73 Ų | 73 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.8 | -71.6 | 167.4 | -176.5 | -170.4 | 1.4 | 112.3 | R234 R235 R236 K242 | R234-R238 WeakPolarHBondContact O-CB 3.32Å; R234-R238 WeakPolarHBondContact O-CD 3.27Å; R234-R238 WeakPolarHBondContact O-CG 3.45Å; R234-R238 PolarHBondContact O-N 3.19Å; R235-R238 WeakPolarHBondContact O-CB 3.41Å; R235-R238 PolarHBondContact O-N 3.45Å; R236-R238 PolarHBondContact O-N 3.4Å; R238-K242 WeakPolarHBondContact O-CG 3.11Å; R238-K242 PolarHBondContact O-N 2.84Å |
| 239 | A | 65.8 | Low | 73.4 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 21% | 0.207 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.5 | -49.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V108 R235 R236 Q237 R241 K242 I243 | V108-A239 HydrophobicContact CG2-CB 4.41Å; R235-A239 PolarHBondContact O-N 3.05Å; R235-A239 VanDerWaalsContact O-N 3.11Å; R236-A239 WeakPolarHBondContact O-CB 3.31Å; R236-A239 PolarHBondContact O-N 2.73Å; Q237-A239 VanDerWaalsContact C-N 3.35Å; Q237-A239 PolarHBondContact O-N 3.3Å; A239-R241 PolarHBondContact O-N 2.8Å; A239-K242 PolarHBondContact O-N 3.32Å; A239-I243 PolarHBondContact O-N 3.47Å |
| 240 | T | 69.3 | Low | 74.6 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | Y192 L196 R236 K242 I243 S244 | Y192-T240 HydrophobicContact CE2-CG2 4.17Å; L196-T240 HydrophobicContact CD2-CG2 3.52Å; R236-T240 PolarHBondContact O-N 3.13Å; R236-T240 PolarHBondContact O-OG1 2.62Å; T240-K242 VanDerWaalsContact C-N 3.32Å; T240-K242 PolarHBondContact O-N 3.42Å; T240-I243 PolarHBondContact O-N 2.82Å; T240-S244 WeakPolarHBondContact O-CB 2.9Å; T240-S244 PolarHBondContact O-N 3.25Å |
| 241 | R | 76 | Confident | 75.5 | Confident | 179 Ų | 179 | 68.5 Ų | 68.5 | 68% | 0.675 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -58.3 | -44.7 | 177.6 | -171.3 | 175 | 79.6 | -170.2 | 8.5 | 111.3 | Q237 A239 I243 S244 T245 | Q237-R241 WeakPolarHBondContact O-CB 3.44Å; Q237-R241 PolarHBondContact O-N 3.43Å; A239-R241 PolarHBondContact O-N 2.8Å; R241-I243 PolarHBondContact O-N 3.34Å; R241-S244 PolarHBondContact O-N 3.46Å; R241-T245 PolarHBondContact O-N 3.48Å; R241-T245 PolarHBondContact O-OG1 3Å |
| 242 | K | 72.7 | Confident | 76.7 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 178.3 | -75.9 | 178.6 | -179.3 | -175.8 | 0 | 112.4 | R238 A239 T240 T245 F246 | R238-K242 WeakPolarHBondContact O-CG 3.11Å; R238-K242 PolarHBondContact O-N 2.84Å; A239-K242 PolarHBondContact O-N 3.32Å; T240-K242 VanDerWaalsContact C-N 3.32Å; T240-K242 PolarHBondContact O-N 3.42Å; K242-T245 WeakPolarHBondContact O-CB 3.33Å; K242-T245 PolarHBondContact O-N 2.95Å; K242-F246 WeakPolarHBondContact O-CD1 3.37Å; K242-F246 WeakPolarHBondContact O-CG 3.36Å; K242-F246 PolarHBondContact O-N 3.36Å; K242-F246 VanDerWaalsContact O-N 3.11Å |
| 243 | I | 72.8 | Confident | 78.2 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.9 | -39.2 | -179.6 | -60 | 162.5 | 0 | 0 | 0 | 111.2 | Y192 V195 A239 T240 R241 T245 F246 I247 | Y192-I243 HydrophobicContact CD2-CB 4.27Å; Y192-I243 HydrophobicContact CD2-CG2 3.68Å; Y192-I243 HydrophobicContact CG-CG2 4.27Å; V195-I243 HydrophobicContact CB-CD1 3.67Å; V195-I243 HydrophobicContact CG1-CD1 3.47Å; V195-I243 VanDerWaalsContact CG1-CD1 3.47Å; V195-I243 HydrophobicContact CG2-CD1 3.55Å; A239-I243 PolarHBondContact O-N 3.47Å; T240-I243 PolarHBondContact O-N 2.82Å; R241-I243 PolarHBondContact O-N 3.34Å; I243-T245 VanDerWaalsContact C-N 3.31Å; I243-T245 PolarHBondContact O-N 3.41Å; I243-F246 WeakPolarHBondContact O-CB 3.25Å; I243-F246 PolarHBondContact O-N 2.95Å; I243-I247 HydrophobicContact CG2-CD1 4.38Å; I243-I247 PolarHBondContact O-N 2.8Å; I243-I247 VanDerWaalsContact O-N 3.09Å |
| 244 | S | 76.4 | Confident | 79.5 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 173.6 | 174 | 0 | 0 | 0 | 0 | 111.5 | T240 R241 F246 I247 G248 | T240-S244 WeakPolarHBondContact O-CB 2.9Å; T240-S244 PolarHBondContact O-N 3.25Å; R241-S244 PolarHBondContact O-N 3.46Å; S244-F246 VanDerWaalsContact C-N 3.29Å; S244-F246 PolarHBondContact O-N 3.32Å; S244-I247 PolarHBondContact O-N 2.86Å; S244-G248 PolarHBondContact O-N 2.91Å |
| 245 | T | 82.1 | Confident | 80.6 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 172.2 | -56.7 | 0 | 0 | 0 | 0 | 112 | R241 K242 I243 T249 V293 | R241-T245 PolarHBondContact O-N 3.48Å; R241-T245 PolarHBondContact O-OG1 3Å; K242-T245 WeakPolarHBondContact O-CB 3.33Å; K242-T245 PolarHBondContact O-N 2.95Å; I243-T245 VanDerWaalsContact C-N 3.31Å; I243-T245 PolarHBondContact O-N 3.41Å; T245-T249 HydrophobicContact CG2-CG2 4.19Å; T245-T249 WeakPolarHBondContact O-CB 3.31Å; T245-T249 VanDerWaalsContact O-CG2 3.3Å; T245-T249 WeakPolarHBondContact O-CG2 3.34Å; T245-T249 PolarHBondContact O-N 3.31Å; T245-T249 PolarHBondContact O-OG1 2.82Å; T245-V293 HydrophobicContact CG2-CG1 4.4Å; T245-V293 HydrophobicContact CG2-CG2 4.14Å |
| 246 | F | 81.1 | Confident | 82.1 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 178.8 | -69.4 | 10.9 | 0 | 0 | 0 | 111.2 | R104 K242 I243 S244 T249 F250 V293 Y294 | R104-F246 HydrophobicContact CG-CE2 3.76Å; R104-F246 HydrophobicContact CG-CZ 4.39Å; K242-F246 WeakPolarHBondContact O-CD1 3.37Å; K242-F246 WeakPolarHBondContact O-CG 3.36Å; K242-F246 PolarHBondContact O-N 3.36Å; K242-F246 VanDerWaalsContact O-N 3.11Å; I243-F246 WeakPolarHBondContact O-CB 3.25Å; I243-F246 PolarHBondContact O-N 2.95Å; S244-F246 VanDerWaalsContact C-N 3.29Å; S244-F246 PolarHBondContact O-N 3.32Å; F246-T249 PolarHBondContact O-OG1 3.34Å; F246-F250 VanDerWaalsContact O-CB 3.25Å; F246-F250 WeakPolarHBondContact O-CB 3.21Å; F246-F250 PolarHBondContact O-N 2.84Å; F246-F250 VanDerWaalsContact O-N 3.08Å; F246-V293 HydrophobicContact CD1-CG1 3.16Å; F246-V293 HydrophobicContact CE1-CG1 3.2Å; F246-V293 HydrophobicContact CG-CG1 4.27Å; F246-V293 HydrophobicContact CZ-CG1 4.3Å; F246-Y294 HydrophobicContact CD1-CE1 4.03Å; F246-Y294 AromaticContact CD2-CE1 3.71Å; F246-Y294 HydrophobicContact CD2-CE1 3.71Å; F246-Y294 AromaticContact CE1-CD1 3.9Å; F246-Y294 HydrophobicContact CE1-CD1 3.9Å; F246-Y294 AromaticContact CE1-CE1 3.79Å; F246-Y294 HydrophobicContact CE1-CE1 3.79Å; F246-Y294 AromaticContact CE2-CD1 3.79Å; F246-Y294 HydrophobicContact CE2-CD1 3.79Å; F246-Y294 AromaticContact CE2-CE1 3.4Å; F246-Y294 HydrophobicContact CE2-CE1 3.4Å; F246-Y294 VanDerWaalsContact CE2-CE1 3.4Å; F246-Y294 HydrophobicContact CG-CE1 4.01Å; F246-Y294 AromaticContact CZ-CD1 3.44Å; F246-Y294 HydrophobicContact CZ-CD1 3.44Å; F246-Y294 VanDerWaalsContact CZ-CD1 3.44Å; F246-Y294 AromaticContact CZ-CE1 3.45Å; F246-Y294 HydrophobicContact CZ-CE1 3.45Å; F246-Y294 VanDerWaalsContact CZ-CE1 3.45Å |
| 247 | I | 85.3 | Confident | 83.6 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 178.3 | -64.4 | 169.5 | 0 | 0 | 0 | 110.8 | L188 Y192 I243 S244 T249 F250 M251 | L188-I247 HydrophobicContact CB-CG1 4.1Å; L188-I247 HydrophobicContact CD2-CG1 4.23Å; Y192-I247 HydrophobicContact CD1-CD1 4.12Å; Y192-I247 HydrophobicContact CD2-CD1 4.05Å; Y192-I247 HydrophobicContact CG-CD1 3.61Å; I243-I247 HydrophobicContact CG2-CD1 4.38Å; I243-I247 PolarHBondContact O-N 2.8Å; I243-I247 VanDerWaalsContact O-N 3.09Å; S244-I247 PolarHBondContact O-N 2.86Å; I247-T249 PolarHBondContact O-N 3.43Å; I247-F250 PolarHBondContact O-N 2.84Å; I247-M251 HydrophobicContact CG2-CG 4.23Å; I247-M251 WeakPolarHBondContact O-CB 3.36Å; I247-M251 WeakPolarHBondContact O-CG 3.2Å; I247-M251 PolarHBondContact O-N 3.05Å |
| 248 | G | 87.7 | Confident | 84.9 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -46.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | S244 M251 L252 | S244-G248 PolarHBondContact O-N 2.91Å; G248-M251 PolarHBondContact O-N 3.28Å; G248-L252 WeakPolarHBondContact O-CB 3.45Å; G248-L252 PolarHBondContact O-N 3.47Å |
| 249 | T | 91 | Very high | 85.9 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -38.2 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | T245 F246 I247 C253 V293 | T245-T249 HydrophobicContact CG2-CG2 4.19Å; T245-T249 WeakPolarHBondContact O-CB 3.31Å; T245-T249 VanDerWaalsContact O-CG2 3.3Å; T245-T249 WeakPolarHBondContact O-CG2 3.34Å; T245-T249 PolarHBondContact O-N 3.31Å; T245-T249 PolarHBondContact O-OG1 2.82Å; F246-T249 PolarHBondContact O-OG1 3.34Å; I247-T249 PolarHBondContact O-N 3.43Å; T249-C253 VanDerWaalsContact O-CB 3.3Å; T249-C253 WeakPolarHBondContact O-CB 3.41Å; T249-C253 PolarHBondContact O-N 2.83Å; T249-C253 VanDerWaalsContact O-N 3.07Å; T249-C253 PolarHBondContact O-SG 2.97Å; T249-V293 HydrophobicContact CG2-CG2 4.24Å |
| 250 | F | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 174.4 | 179.8 | -77.4 | 0 | 0 | 0 | 111.5 | M94 M97 F181 S184 L188 F246 I247 F254 | M94-F250 HydrophobicContact CG-CE2 3.34Å; M94-F250 HydrophobicContact CG-CZ 3.49Å; M94-F250 VanDerWaalsContact CG-CZ 3.49Å; M94-F250 HydrophobicContact SD-CE2 4.08Å; M94-F250 HydrophobicContact SD-CZ 3.64Å; M97-F250 HydrophobicContact CE-CD2 3.34Å; M97-F250 HydrophobicContact CE-CE2 3.54Å; M97-F250 HydrophobicContact SD-CD2 3.92Å; F181-F250 AromaticContact CD2-CE1 3.79Å; F181-F250 HydrophobicContact CD2-CE1 3.79Å; F181-F250 HydrophobicContact CD2-CZ 4.07Å; F181-F250 HydrophobicContact CE2-CD1 4.33Å; F181-F250 AromaticContact CE2-CE1 3.55Å; F181-F250 HydrophobicContact CE2-CE1 3.55Å; F181-F250 HydrophobicContact CE2-CZ 4.27Å; F181-F250 HydrophobicContact CZ-CE1 4.25Å; S184-F250 VanDerWaalsContact CB-CZ 3.47Å; L188-F250 HydrophobicContact CD1-CB 3.97Å; L188-F250 HydrophobicContact CD1-CD1 3.82Å; L188-F250 HydrophobicContact CD1-CD2 3.54Å; L188-F250 HydrophobicContact CD1-CE1 4.2Å; L188-F250 HydrophobicContact CD1-CE2 3.92Å; L188-F250 HydrophobicContact CD1-CG 3.51Å; L188-F250 HydrophobicContact CD1-CZ 4.27Å; F246-F250 VanDerWaalsContact O-CB 3.25Å; F246-F250 WeakPolarHBondContact O-CB 3.21Å; F246-F250 PolarHBondContact O-N 2.84Å; F246-F250 VanDerWaalsContact O-N 3.08Å; I247-F250 PolarHBondContact O-N 2.84Å; F250-F254 HydrophobicContact CD2-CD2 4.17Å; F250-F254 HydrophobicContact CE2-CD2 4.31Å; F250-F254 HydrophobicContact CG-CD2 4.39Å; F250-F254 WeakPolarHBondContact O-CB 3.38Å; F250-F254 PolarHBondContact O-N 3.41Å |
| 251 | M | 93 | Very high | 88.5 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -48.6 | 180 | -70.8 | -73.4 | 103.1 | 0 | 0 | 111.4 | F181 F185 I247 G248 C253 A255 P256 | F181-M251 HydrophobicContact CE1-CE 3.97Å; F181-M251 HydrophobicContact CE2-CE 3.71Å; F181-M251 HydrophobicContact CZ-CE 3.24Å; F181-M251 HydrophobicContact CZ-SD 4.09Å; F185-M251 HydrophobicContact CB-CE 3.96Å; F185-M251 HydrophobicContact CD2-CE 3.12Å; F185-M251 HydrophobicContact CD2-CG 4.42Å; F185-M251 HydrophobicContact CD2-SD 3.55Å; F185-M251 VanDerWaalsContact CD2-SD 3.55Å; F185-M251 HydrophobicContact CE2-CE 3.7Å; F185-M251 HydrophobicContact CE2-CG 4.16Å; F185-M251 HydrophobicContact CE2-SD 3.41Å; F185-M251 WeakPolarHBondContact CE2-SD 3.5Å; F185-M251 HydrophobicContact CG-CE 3.72Å; F185-M251 HydrophobicContact CG-SD 4.39Å; F185-M251 HydrophobicContact CZ-SD 4.2Å; I247-M251 HydrophobicContact CG2-CG 4.23Å; I247-M251 WeakPolarHBondContact O-CB 3.36Å; I247-M251 WeakPolarHBondContact O-CG 3.2Å; I247-M251 PolarHBondContact O-N 3.05Å; G248-M251 PolarHBondContact O-N 3.28Å; M251-C253 VanDerWaalsContact C-N 3.28Å; M251-C253 PolarHBondContact O-N 3.42Å; M251-A255 WeakPolarHBondContact O-CB 3.28Å; M251-A255 PolarHBondContact O-N 3.46Å; M251-P256 WeakPolarHBondContact O-CD 3.38Å |
| 252 | L | 94.4 | Very high | 89.3 | Confident | 115 Ų | 115 | 34.9 Ų | 34.9 | 60% | 0.602 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61 | -36.9 | -178.1 | -176.2 | 64.7 | 0 | 0 | 0 | 112.6 | G248 P256 | G248-L252 WeakPolarHBondContact O-CB 3.45Å; G248-L252 PolarHBondContact O-N 3.47Å; L252-P256 WeakPolarHBondContact O-CD 3.21Å; L252-P256 WeakPolarHBondContact O-CG 3.45Å |
| 253 | C | 95.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -85.6 | -43 | -176.8 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | T249 M251 L282 A283 K286 | T249-C253 VanDerWaalsContact O-CB 3.3Å; T249-C253 WeakPolarHBondContact O-CB 3.41Å; T249-C253 PolarHBondContact O-N 2.83Å; T249-C253 VanDerWaalsContact O-N 3.07Å; T249-C253 PolarHBondContact O-SG 2.97Å; M251-C253 VanDerWaalsContact C-N 3.28Å; M251-C253 PolarHBondContact O-N 3.42Å; C253-L282 WeakPolarHBondContact CA-O 3.36Å; C253-L282 WeakPolarHBondContact CB-O 3.39Å; C253-L282 CarbonylContact O-C 3.29Å; C253-L282 VanDerWaalsContact O-C 3.29Å; C253-A283 VanDerWaalsContact O-CA 3.24Å; C253-A283 WeakPolarHBondContact O-CA 3.17Å; C253-A283 PolarHBondContact O-N 2.86Å; C253-A283 VanDerWaalsContact O-N 3.12Å; C253-K286 HydrophobicContact CB-CB 3.9Å; C253-K286 HydrophobicContact CB-CD 3.74Å; C253-K286 HydrophobicContact CB-CG 4.42Å |
| 254 | F | 94.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -96.6 | -33.8 | -173.1 | -71.3 | -69.9 | 0 | 0 | 0 | 114.5 | M94 M97 F181 F250 Y257 V258 A283 K286 | M94-F254 HydrophobicContact SD-CD1 4.46Å; M94-F254 HydrophobicContact SD-CG 4.29Å; M97-F254 HydrophobicContact CE-CD2 4.06Å; M97-F254 HydrophobicContact CE-CE2 3.31Å; M97-F254 HydrophobicContact CE-CZ 4.05Å; M97-F254 HydrophobicContact SD-CE2 4.34Å; F181-F254 HydrophobicContact CD2-CB 4.15Å; F181-F254 HydrophobicContact CE2-CB 3.87Å; F250-F254 HydrophobicContact CD2-CD2 4.17Å; F250-F254 HydrophobicContact CE2-CD2 4.31Å; F250-F254 HydrophobicContact CG-CD2 4.39Å; F250-F254 WeakPolarHBondContact O-CB 3.38Å; F250-F254 PolarHBondContact O-N 3.41Å; F254-Y257 PolarHBondContact O-N 2.95Å; F254-V258 WeakPolarHBondContact O-CG2 3.05Å; F254-V258 PolarHBondContact O-N 3.45Å; F254-A283 HydrophobicContact CD1-CB 4.47Å; F254-K286 HydrophobicContact CD2-CD 4.35Å; F254-K286 HydrophobicContact CD2-CG 4.45Å; F254-K286 HydrophobicContact CE2-CB 3.96Å; F254-K286 HydrophobicContact CE2-CD 3.8Å; F254-K286 HydrophobicContact CE2-CG 3.49Å; F254-K286 VanDerWaalsContact CE2-CG 3.49Å; F254-K286 HydrophobicContact CZ-CB 3.94Å; F254-K286 HydrophobicContact CZ-CG 3.84Å |
| 255 | A | 94.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F181 M251 Y257 V258 I259 | F181-A255 HydrophobicContact CE2-CB 4.19Å; F181-A255 HydrophobicContact CZ-CB 3.71Å; M251-A255 WeakPolarHBondContact O-CB 3.28Å; M251-A255 PolarHBondContact O-N 3.46Å; A255-Y257 VanDerWaalsContact C-N 3.33Å; A255-Y257 PolarHBondContact O-N 3Å; A255-V258 PolarHBondContact O-N 2.89Å; A255-I259 HydrophobicContact CB-CD1 4.32Å; A255-I259 VanDerWaalsContact O-CB 3.31Å; A255-I259 WeakPolarHBondContact O-CB 3.31Å; A255-I259 WeakPolarHBondContact O-CD1 3.38Å; A255-I259 WeakPolarHBondContact O-CG1 3.15Å; A255-I259 PolarHBondContact O-N 2.84Å |
| 256 | P | 96.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 17% | 0.169 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 178.8 | -26.4 | 37.1 | 0 | 0 | 0 | 112.6 | M251 L252 T260 W275 L282 | M251-P256 WeakPolarHBondContact O-CD 3.38Å; L252-P256 WeakPolarHBondContact O-CD 3.21Å; L252-P256 WeakPolarHBondContact O-CG 3.45Å; P256-T260 VanDerWaalsContact O-CB 3.32Å; P256-T260 WeakPolarHBondContact O-CB 3.43Å; P256-T260 PolarHBondContact O-N 3Å; P256-T260 PolarHBondContact O-OG1 3.49Å; P256-W275 HydrophobicContact CB-CZ2 4.31Å; P256-L282 HydrophobicContact CB-CD1 3.99Å; P256-L282 HydrophobicContact CG-CD1 3.89Å |
| 257 | Y | 95.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -48.3 | 177.7 | 178.9 | -112.8 | 0 | 0 | 0 | 111.9 | Y153 T157 F254 A255 I259 T260 R261 K280 A283 | Y153-Y257 HydrophobicContact CD1-CD2 4.26Å; Y153-Y257 AromaticContact CD1-CE2 3.81Å; Y153-Y257 HydrophobicContact CD1-CE2 3.81Å; Y153-Y257 HydrophobicContact CE1-CD2 4.17Å; Y153-Y257 AromaticContact CE1-CE2 3.88Å; Y153-Y257 HydrophobicContact CE1-CE2 3.88Å; Y153-Y257 HydrophobicContact CG-CE2 4.3Å; T157-Y257 PolarHBondContact OG1-OH 3.39Å; T157-Y257 VanDerWaalsContact OG1-OH 3.09Å; F254-Y257 PolarHBondContact O-N 2.95Å; A255-Y257 VanDerWaalsContact C-N 3.33Å; A255-Y257 PolarHBondContact O-N 3Å; Y257-I259 PolarHBondContact O-N 3.47Å; Y257-T260 PolarHBondContact O-N 3.26Å; Y257-R261 HydrophobicContact CE1-CG 4.19Å; Y257-R261 HydrophobicContact CE2-CG 4.17Å; Y257-R261 WeakPolarHBondContact O-CG 3.4Å; Y257-R261 PolarHBondContact O-N 2.97Å; Y257-R261 PolarHBondContact OH-NE 3.29Å; Y257-K280 HydrophobicContact CD2-CD 4.14Å; Y257-K280 HydrophobicContact CE2-CD 3.73Å; Y257-K280 PolarHBondContact OH-NZ 3.09Å; Y257-A283 HydrophobicContact CD1-CB 4.38Å; Y257-A283 HydrophobicContact CG-CB 4.21Å |
| 258 | V | 94.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 180 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | H177 F181 F254 A255 T260 R261 I262 | H177-V258 HydrophobicContact CB-CG1 3.96Å; F181-V258 HydrophobicContact CB-CG1 4.31Å; F181-V258 HydrophobicContact CB-CG2 4.37Å; F181-V258 HydrophobicContact CD1-CG1 4.44Å; F181-V258 HydrophobicContact CD2-CB 4.44Å; F181-V258 HydrophobicContact CD2-CG2 3.93Å; F181-V258 HydrophobicContact CE2-CG2 4.5Å; F181-V258 HydrophobicContact CG-CG1 4.23Å; F181-V258 HydrophobicContact CG-CG2 4.24Å; F254-V258 WeakPolarHBondContact O-CG2 3.05Å; F254-V258 PolarHBondContact O-N 3.45Å; A255-V258 PolarHBondContact O-N 2.89Å; V258-T260 VanDerWaalsContact C-N 3.33Å; V258-T260 PolarHBondContact O-N 3.28Å; V258-R261 WeakPolarHBondContact O-CB 3Å; V258-R261 PolarHBondContact O-N 3.48Å; V258-I262 WeakPolarHBondContact O-CG1 3.42Å; V258-I262 PolarHBondContact O-N 3.22Å |
| 259 | I | 94.1 | Very high | 91.7 | Very high | 102 Ų | 102 | 44.3 Ų | 44.3 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.2 | -68.4 | 165.4 | 0 | 0 | 0 | 109.9 | A255 Y257 R261 I262 V263 | A255-I259 HydrophobicContact CB-CD1 4.32Å; A255-I259 VanDerWaalsContact O-CB 3.31Å; A255-I259 WeakPolarHBondContact O-CB 3.31Å; A255-I259 WeakPolarHBondContact O-CD1 3.38Å; A255-I259 WeakPolarHBondContact O-CG1 3.15Å; A255-I259 PolarHBondContact O-N 2.84Å; Y257-I259 PolarHBondContact O-N 3.47Å; I259-R261 VanDerWaalsContact C-N 3.31Å; I259-R261 PolarHBondContact O-N 3.31Å; I259-I262 PolarHBondContact O-N 3.39Å; I259-I262 VanDerWaalsContact O-N 3.11Å; I259-V263 HydrophobicContact CG2-CG2 4.11Å; I259-V263 VanDerWaalsContact O-CG2 3.3Å; I259-V263 WeakPolarHBondContact O-CG2 3.49Å; I259-V263 PolarHBondContact O-N 3.41Å |
| 260 | T | 94.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 178.4 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | Y153 P256 Y257 V258 I262 V263 E264 I271 W275 | Y153-T260 HydrophobicContact CE1-CG2 4.11Å; P256-T260 VanDerWaalsContact O-CB 3.32Å; P256-T260 WeakPolarHBondContact O-CB 3.43Å; P256-T260 PolarHBondContact O-N 3Å; P256-T260 PolarHBondContact O-OG1 3.49Å; Y257-T260 PolarHBondContact O-N 3.26Å; V258-T260 VanDerWaalsContact C-N 3.33Å; V258-T260 PolarHBondContact O-N 3.28Å; T260-I262 VanDerWaalsContact C-N 3.33Å; T260-I262 PolarHBondContact O-N 3.44Å; T260-V263 PolarHBondContact O-N 2.77Å; T260-E264 VanDerWaalsContact O-CB 3.25Å; T260-E264 WeakPolarHBondContact O-CB 2.94Å; T260-E264 PolarHBondContact O-N 3.31Å; T260-I271 HydrophobicContact CG2-CD1 4.02Å; T260-I271 HydrophobicContact CG2-CG2 3.97Å; T260-W275 PolarHBondContact OG1-NE1 3.23Å |
| 261 | R | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.011 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 174.2 | -72.3 | -56 | -133.1 | 157.2 | -1.7 | 113.8 | Y153 T157 L158 Y257 V258 I259 E264 L265 | Y153-R261 VanDerWaalsContact OH-CD 3.25Å; Y153-R261 WeakPolarHBondContact OH-CD 3.37Å; T157-R261 PolarHBondContact OG1-NH2 3.03Å; L158-R261 VanDerWaalsContact CB-NH2 3.34Å; L158-R261 VanDerWaalsContact N-NH2 3.11Å; L158-R261 VanDerWaalsContact O-CZ 3.26Å; L158-R261 PolarHBondContact O-NH1 2.87Å; L158-R261 PolarHBondContact O-NH2 2.88Å; Y257-R261 HydrophobicContact CE1-CG 4.19Å; Y257-R261 HydrophobicContact CE2-CG 4.17Å; Y257-R261 WeakPolarHBondContact O-CG 3.4Å; Y257-R261 PolarHBondContact O-N 2.97Å; Y257-R261 PolarHBondContact OH-NE 3.29Å; V258-R261 WeakPolarHBondContact O-CB 3Å; V258-R261 PolarHBondContact O-N 3.48Å; I259-R261 VanDerWaalsContact C-N 3.31Å; I259-R261 PolarHBondContact O-N 3.31Å; R261-E264 WeakPolarHBondContact CD-OE2 3.47Å; R261-E264 IonicContact CZ-OE2 3.72Å; R261-E264 IonicContact NH1-OE2 3.96Å; R261-E264 PolarHBondContact NH1-OE2 2.95Å; R261-L265 WeakPolarHBondContact O-CG 2.98Å |
| 262 | I | 92.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -74.4 | -43.3 | 177.9 | -63.2 | -60.9 | 0 | 0 | 0 | 110.5 | V174 H177 V258 I259 T260 E264 L265 F266 | V174-I262 HydrophobicContact CB-CD1 4.49Å; V174-I262 HydrophobicContact CG2-CD1 4.13Å; H177-I262 HydrophobicContact CB-CD1 4.16Å; V258-I262 WeakPolarHBondContact O-CG1 3.42Å; V258-I262 PolarHBondContact O-N 3.22Å; I259-I262 PolarHBondContact O-N 3.39Å; I259-I262 VanDerWaalsContact O-N 3.11Å; T260-I262 VanDerWaalsContact C-N 3.33Å; T260-I262 PolarHBondContact O-N 3.44Å; I262-E264 VanDerWaalsContact C-N 3.28Å; I262-E264 PolarHBondContact O-N 3.45Å; I262-L265 HydrophobicContact CD1-CD1 4.46Å; I262-L265 WeakPolarHBondContact O-CB 3.2Å; I262-L265 PolarHBondContact O-N 2.9Å; I262-F266 HydrophobicContact CG2-CE2 4.17Å; I262-F266 VanDerWaalsContact O-CD2 3.26Å; I262-F266 WeakPolarHBondContact O-CD2 3.36Å; I262-F266 WeakPolarHBondContact O-CE2 3.37Å |
| 263 | V | 92.4 | Very high | 91.5 | Very high | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 178 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I259 T260 L265 F266 V269 I271 | I259-V263 HydrophobicContact CG2-CG2 4.11Å; I259-V263 VanDerWaalsContact O-CG2 3.3Å; I259-V263 WeakPolarHBondContact O-CG2 3.49Å; I259-V263 PolarHBondContact O-N 3.41Å; T260-V263 PolarHBondContact O-N 2.77Å; V263-L265 PolarHBondContact O-N 3Å; V263-L265 VanDerWaalsContact O-N 3.1Å; V263-F266 WeakPolarHBondContact O-CB 3.24Å; V263-F266 PolarHBondContact O-N 3.37Å; V263-V269 HydrophobicContact CG1-CB 3.97Å; V263-V269 HydrophobicContact CG1-CG1 3.64Å; V263-I271 HydrophobicContact CB-CD1 4.45Å; V263-I271 HydrophobicContact CG1-CD1 4.17Å; V263-I271 HydrophobicContact CG1-CG1 4.34Å |
| 264 | E | 90.9 | Very high | 91.4 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.2 | 176.9 | 172.5 | 171.4 | -128.9 | 0 | 0 | 113.6 | H150 L152 Y153 T260 R261 I262 F266 I271 | H150-E264 IonicContact CE1-OE1 2.86Å; H150-E264 PolarHBondContact CE1-OE1 2.53Å; H150-E264 IonicContact ND1-OE1 2.66Å; H150-E264 IonicContact NE2-OE1 2.68Å; H150-E264 PolarHBondContact NE2-OE1 3.44Å; H150-E264 VanDerWaalsContact NE2-OE1 3.11Å; L152-E264 WeakPolarHBondContact CD2-OE1 3.22Å; Y153-E264 VanDerWaalsContact CE2-OE2 3.31Å; Y153-E264 WeakPolarHBondContact CE2-OE2 2.97Å; Y153-E264 VanDerWaalsContact OH-CD 3.31Å; Y153-E264 PolarHBondContact OH-OE2 2.95Å; T260-E264 VanDerWaalsContact O-CB 3.25Å; T260-E264 WeakPolarHBondContact O-CB 2.94Å; T260-E264 PolarHBondContact O-N 3.31Å; R261-E264 WeakPolarHBondContact CD-OE2 3.47Å; R261-E264 IonicContact CZ-OE2 3.72Å; R261-E264 IonicContact NH1-OE2 3.96Å; R261-E264 PolarHBondContact NH1-OE2 2.95Å; I262-E264 VanDerWaalsContact C-N 3.28Å; I262-E264 PolarHBondContact O-N 3.45Å; E264-F266 PolarHBondContact O-N 2.95Å; E264-I271 HydrophobicContact CB-CD1 3.67Å |
| 265 | L | 89.4 | Confident | 91.4 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.4 | 178.2 | -55.6 | 175.7 | 0 | 0 | 0 | 112.4 | F169 V170 T173 V174 R261 I262 V263 P267 | F169-L265 HydrophobicContact CD1-CD2 4.31Å; F169-L265 HydrophobicContact CE1-CD2 3.97Å; V170-L265 HydrophobicContact CG1-CB 4.46Å; V170-L265 HydrophobicContact CG1-CD1 4.19Å; V170-L265 HydrophobicContact CG2-CB 4.33Å; V170-L265 HydrophobicContact CG2-CD2 4.11Å; T173-L265 HydrophobicContact CG2-CD1 4.02Å; T173-L265 HydrophobicContact CG2-CD2 4.22Å; V174-L265 HydrophobicContact CG2-CD1 3.57Å; R261-L265 WeakPolarHBondContact O-CG 2.98Å; I262-L265 HydrophobicContact CD1-CD1 4.46Å; I262-L265 WeakPolarHBondContact O-CB 3.2Å; I262-L265 PolarHBondContact O-N 2.9Å; V263-L265 PolarHBondContact O-N 3Å; V263-L265 VanDerWaalsContact O-N 3.1Å; L265-P267 WeakPolarHBondContact O-CD 3.3Å |
| 266 | F | 87.8 | Confident | 91.5 | Very high | 122 Ų | 122 | 57.8 Ų | 57.8 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | trans | -94.6 | 108.2 | -179.7 | -59.9 | -85.6 | 0 | 0 | 0 | 110.7 | I262 V263 E264 A268 V269 | I262-F266 HydrophobicContact CG2-CE2 4.17Å; I262-F266 VanDerWaalsContact O-CD2 3.26Å; I262-F266 WeakPolarHBondContact O-CD2 3.36Å; I262-F266 WeakPolarHBondContact O-CE2 3.37Å; V263-F266 WeakPolarHBondContact O-CB 3.24Å; V263-F266 PolarHBondContact O-N 3.37Å; E264-F266 PolarHBondContact O-N 2.95Å; F266-A268 PolarHBondContact O-N 2.72Å; F266-V269 PolarHBondContact O-N 3.11Å | ||
| 267 | P | 79.6 | Confident | 91.4 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.7 | -174.7 | 21.5 | -28.9 | 0 | 0 | 0 | 114.8 | L265 V269 | L265-P267 WeakPolarHBondContact O-CD 3.3Å; P267-V269 VanDerWaalsContact C-N 3.32Å |
| 268 | A | 83.6 | Confident | 91.5 | Very high | 93 Ų | 93 | 58.7 Ų | 58.7 | 77% | 0.769 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F266 P270 | F266-A268 PolarHBondContact O-N 2.72Å; A268-P270 WeakPolarHBondContact O-CD 3.22Å |
| 269 | V | 86.2 | Confident | 91.6 | Very high | 73 Ų | 73 | 58 Ų | 58 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -112 | 103 | -174.9 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | V263 F266 P267 I271 | V263-V269 HydrophobicContact CG1-CB 3.97Å; V263-V269 HydrophobicContact CG1-CG1 3.64Å; F266-V269 PolarHBondContact O-N 3.11Å; P267-V269 VanDerWaalsContact C-N 3.32Å; V269-I271 PolarHBondContact O-N 2.87Å |
| 270 | P | 88.8 | Confident | 91.7 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 81% | 0.805 | 30% | 0.302 | S | S | * | . | trans | -67.2 | 133.2 | 172.7 | 28.3 | -32.6 | 0 | 0 | 0 | 109.4 | A268 | A268-P270 WeakPolarHBondContact O-CD 3.22Š| ||
| 271 | I | 92.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 20% | 0.195 | 30% | 0.301 | C | S | . | . | trans | -106.1 | 128.3 | 175.5 | -55.9 | 175.9 | 0 | 0 | 0 | 108.4 | L152 T260 V263 E264 V269 | L152-I271 HydrophobicContact CD1-CB 4.32Å; L152-I271 HydrophobicContact CD1-CG2 3.93Å; L152-I271 HydrophobicContact CD2-CB 4.14Å; L152-I271 HydrophobicContact CD2-CD1 4.14Å; L152-I271 HydrophobicContact CD2-CG2 4.03Å; T260-I271 HydrophobicContact CG2-CD1 4.02Å; T260-I271 HydrophobicContact CG2-CG2 3.97Å; V263-I271 HydrophobicContact CB-CD1 4.45Å; V263-I271 HydrophobicContact CG1-CD1 4.17Å; V263-I271 HydrophobicContact CG1-CG1 4.34Å; E264-I271 HydrophobicContact CB-CD1 3.67Å; V269-I271 PolarHBondContact O-N 2.87Å | ||
| 272 | D | 92.8 | Very high | 92 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | trans | -61 | 129.4 | 174.5 | 178 | -98.1 | 0 | 0 | 0 | 111.3 | H274 W275 G276 | D272-H274 VanDerWaalsContact C-N 3.29Å; D272-H274 PolarHBondContact O-N 3.43Å; D272-H274 WeakPolarHBondContact OD1-CA 3.49Å; D272-H274 VanDerWaalsContact OD1-CB 3.24Å; D272-H274 WeakPolarHBondContact OD1-CB 3.36Å; D272-H274 IonicContact OD1-CG 3.82Å; D272-H274 PolarHBondContact OD1-N 2.93Å; D272-H274 IonicContact OD1-ND1 3.54Å; D272-H274 IonicContact OD2-ND1 2.88Å; D272-W275 HydrophobicContact CB-CB 4.03Å; D272-W275 WeakPolarHBondContact O-CB 3.5Å; D272-W275 PolarHBondContact O-N 3.1Å; D272-W275 PolarHBondContact OD1-N 2.69Å; D272-G276 PolarHBondContact O-N 2.89Å; D272-G276 VanDerWaalsContact O-N 3.12Å | ||
| 273 | P | 90.7 | Very high | 92.1 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.6 | -38.9 | 179.1 | -28 | 36.4 | 0 | 0 | 0 | 114.1 | G276 I277 | P273-G276 PolarHBondContact O-N 3.14Å; P273-I277 PolarHBondContact O-N 2.66Å |
| 274 | H | 93.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 25% | 0.25 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 179.4 | -51 | 95.2 | 0 | 0 | 0 | 110.7 | D2 L8 D272 G276 I277 V278 | D2-H274 IonicContact OD1-NE2 3.87Å; D2-H274 IonicContact OD2-CE1 2.75Å; D2-H274 IonicContact OD2-NE2 3.11Å; D2-H274 PolarHBondContact OD2-NE2 3.41Å; L8-H274 HydrophobicContact CD1-CB 4.31Å; D272-H274 VanDerWaalsContact C-N 3.29Å; D272-H274 PolarHBondContact O-N 3.43Å; D272-H274 WeakPolarHBondContact OD1-CA 3.49Å; D272-H274 VanDerWaalsContact OD1-CB 3.24Å; D272-H274 WeakPolarHBondContact OD1-CB 3.36Å; D272-H274 IonicContact OD1-CG 3.82Å; D272-H274 PolarHBondContact OD1-N 2.93Å; D272-H274 IonicContact OD1-ND1 3.54Å; D272-H274 IonicContact OD2-ND1 2.88Å; H274-G276 VanDerWaalsContact C-N 3.33Å; H274-G276 PolarHBondContact O-N 2.69Å; H274-I277 PolarHBondContact O-N 3.2Å; H274-V278 VanDerWaalsContact O-CG2 3.28Å; H274-V278 WeakPolarHBondContact O-CG2 3.41Å; H274-V278 PolarHBondContact O-N 3.16Å |
| 275 | W | 95.9 | Very high | 92.6 | Very high | 119 Ų | 119 | 51 Ų | 51 | 45% | 0.451 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 172.6 | 178.4 | -102 | 0 | 0 | 0 | 112.6 | P256 T260 D272 I277 V278 S279 | P256-W275 HydrophobicContact CB-CZ2 4.31Å; T260-W275 PolarHBondContact OG1-NE1 3.23Å; D272-W275 HydrophobicContact CB-CB 4.03Å; D272-W275 WeakPolarHBondContact O-CB 3.5Å; D272-W275 PolarHBondContact O-N 3.1Å; D272-W275 PolarHBondContact OD1-N 2.69Å; W275-I277 VanDerWaalsContact C-N 3.33Å; W275-I277 PolarHBondContact O-N 2.72Å; W275-V278 HydrophobicContact CE3-CG1 4.43Å; W275-V278 HydrophobicContact CZ3-CG1 4.42Å; W275-V278 PolarHBondContact O-N 2.99Å; W275-S279 WeakPolarHBondContact O-CB 3.22Å; W275-S279 PolarHBondContact O-N 3.31Å; W275-S279 PolarHBondContact O-OG 2.03Å |
| 276 | G | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.4 | -50 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L152 Y153 D272 P273 H274 S279 K280 | L152-G276 CarbonylContact O-C 3.38Å; L152-G276 WeakPolarHBondContact O-CA 3.38Å; Y153-G276 WeakPolarHBondContact CD1-O 3.35Å; D272-G276 PolarHBondContact O-N 2.89Å; D272-G276 VanDerWaalsContact O-N 3.12Å; P273-G276 PolarHBondContact O-N 3.14Å; H274-G276 VanDerWaalsContact C-N 3.33Å; H274-G276 PolarHBondContact O-N 2.69Å; G276-S279 PolarHBondContact O-N 2.92Å; G276-S279 PolarHBondContact O-OG 3.46Å; G276-K280 PolarHBondContact O-N 2.92Å; G276-K280 VanDerWaalsContact O-N 3.11Å |
| 277 | I | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 177.2 | -59.4 | 157.5 | 0 | 0 | 0 | 111.6 | L8 L67 L152 A154 P273 H274 W275 K280 C281 | L8-I277 HydrophobicContact CB-CG2 4.12Å; L8-I277 HydrophobicContact CD1-CB 4.05Å; L8-I277 HydrophobicContact CD1-CD1 4.18Å; L8-I277 HydrophobicContact CD1-CG2 3.89Å; L8-I277 HydrophobicContact CD2-CG2 4.22Å; L8-I277 HydrophobicContact CG-CG2 4.29Å; L67-I277 HydrophobicContact CD1-CD1 3.6Å; L67-I277 HydrophobicContact CD1-CG1 4.46Å; L67-I277 HydrophobicContact CD2-CG2 4.44Å; L152-I277 PolarHBondContact O-N 2.73Å; A154-I277 HydrophobicContact CB-CG1 4.27Å; P273-I277 PolarHBondContact O-N 2.66Å; H274-I277 PolarHBondContact O-N 3.2Å; W275-I277 VanDerWaalsContact C-N 3.33Å; W275-I277 PolarHBondContact O-N 2.72Å; I277-K280 WeakPolarHBondContact O-CB 3.49Å; I277-K280 PolarHBondContact O-N 3.12Å; I277-C281 PolarHBondContact O-N 3.24Å; I277-C281 PolarHBondContact O-SG 2.82Å |
| 278 | V | 97.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 177 | 168.4 | 0 | 0 | 0 | 0 | 111 | L8 H274 W275 K280 C281 L282 | L8-V278 HydrophobicContact CD2-CG2 3.57Å; H274-V278 VanDerWaalsContact O-CG2 3.28Å; H274-V278 WeakPolarHBondContact O-CG2 3.41Å; H274-V278 PolarHBondContact O-N 3.16Å; W275-V278 HydrophobicContact CE3-CG1 4.43Å; W275-V278 HydrophobicContact CZ3-CG1 4.42Å; W275-V278 PolarHBondContact O-N 2.99Å; V278-K280 PolarHBondContact O-N 3.07Å; V278-C281 WeakPolarHBondContact O-CB 3.26Å; V278-C281 PolarHBondContact O-N 3.01Å; V278-C281 VanDerWaalsContact O-N 3.11Å; V278-L282 HydrophobicContact CG1-CD1 4.4Å; V278-L282 WeakPolarHBondContact O-CG 3.36Å; V278-L282 PolarHBondContact O-N 2.86Å |
| 279 | S | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -37.4 | 178.7 | 78.2 | 0 | 0 | 0 | 0 | 111.3 | W275 G276 L282 A283 | W275-S279 WeakPolarHBondContact O-CB 3.22Å; W275-S279 PolarHBondContact O-N 3.31Å; W275-S279 PolarHBondContact O-OG 2.03Å; G276-S279 PolarHBondContact O-N 2.92Å; G276-S279 PolarHBondContact O-OG 3.46Å; S279-L282 PolarHBondContact O-N 3.32Å; S279-A283 PolarHBondContact O-N 2.89Å; S279-A283 VanDerWaalsContact O-N 3.16Å |
| 280 | K | 95.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 174.2 | -170 | 62.6 | 165.5 | -163.4 | 0 | 112.5 | E86 S155 Y257 G276 I277 V278 L282 A283 Y284 | E86-K280 WeakPolarHBondContact OE1-CE 3.46Å; E86-K280 IonicContact OE1-NZ 2.73Å; E86-K280 PolarHBondContact OE1-NZ 3.2Å; E86-K280 IonicContact OE2-NZ 2.53Å; E86-K280 PolarHBondContact OE2-NZ 2.91Å; S155-K280 WeakPolarHBondContact OG-CE 3.1Å; Y257-K280 HydrophobicContact CD2-CD 4.14Å; Y257-K280 HydrophobicContact CE2-CD 3.73Å; Y257-K280 PolarHBondContact OH-NZ 3.09Å; G276-K280 PolarHBondContact O-N 2.92Å; G276-K280 VanDerWaalsContact O-N 3.11Å; I277-K280 WeakPolarHBondContact O-CB 3.49Å; I277-K280 PolarHBondContact O-N 3.12Å; V278-K280 PolarHBondContact O-N 3.07Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 3.45Å; K280-A283 WeakPolarHBondContact O-CB 3.3Å; K280-A283 PolarHBondContact O-N 2.9Å; K280-A283 VanDerWaalsContact O-N 3.14Å; K280-Y284 WeakPolarHBondContact CE-OH 3.11Å; K280-Y284 HydrophobicContact CG-CD2 4.48Å; K280-Y284 HydrophobicContact CG-CE2 4.15Å; K280-Y284 PolarHBondContact O-N 3.47Å |
| 281 | C | 96.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.02 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 175.5 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | L11 V12 I15 I277 V278 A283 Y284 S285 | L11-C281 HydrophobicContact CD2-CB 3.99Å; V12-C281 VanDerWaalsContact CG2-SG 3.56Å; I15-C281 HydrophobicContact CD1-CB 3.98Å; I277-C281 PolarHBondContact O-N 3.24Å; I277-C281 PolarHBondContact O-SG 2.82Å; V278-C281 WeakPolarHBondContact O-CB 3.26Å; V278-C281 PolarHBondContact O-N 3.01Å; V278-C281 VanDerWaalsContact O-N 3.11Å; C281-A283 VanDerWaalsContact C-N 3.35Å; C281-Y284 PolarHBondContact O-N 2.77Å; C281-S285 WeakPolarHBondContact O-CB 3.47Å; C281-S285 PolarHBondContact O-N 3.47Å; C281-S285 PolarHBondContact O-OG 3.3Å |
| 282 | L | 97.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62 | -42.3 | 173.4 | -70.2 | 172.5 | 0 | 0 | 0 | 111.4 | C253 P256 V278 S279 K280 S285 | C253-L282 WeakPolarHBondContact CA-O 3.36Å; C253-L282 WeakPolarHBondContact CB-O 3.39Å; C253-L282 CarbonylContact O-C 3.29Å; C253-L282 VanDerWaalsContact O-C 3.29Å; P256-L282 HydrophobicContact CB-CD1 3.99Å; P256-L282 HydrophobicContact CG-CD1 3.89Å; V278-L282 HydrophobicContact CG1-CD1 4.4Å; V278-L282 WeakPolarHBondContact O-CG 3.36Å; V278-L282 PolarHBondContact O-N 2.86Å; S279-L282 PolarHBondContact O-N 3.32Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 3.45Å; L282-S285 WeakPolarHBondContact O-CB 2.92Å; L282-S285 PolarHBondContact O-N 3.29Å |
| 283 | A | 96.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | C253 F254 Y257 S279 K280 C281 S285 K286 | C253-A283 VanDerWaalsContact O-CA 3.24Å; C253-A283 WeakPolarHBondContact O-CA 3.17Å; C253-A283 PolarHBondContact O-N 2.86Å; C253-A283 VanDerWaalsContact O-N 3.12Å; F254-A283 HydrophobicContact CD1-CB 4.47Å; Y257-A283 HydrophobicContact CD1-CB 4.38Å; Y257-A283 HydrophobicContact CG-CB 4.21Å; S279-A283 PolarHBondContact O-N 2.89Å; S279-A283 VanDerWaalsContact O-N 3.16Å; K280-A283 WeakPolarHBondContact O-CB 3.3Å; K280-A283 PolarHBondContact O-N 2.9Å; K280-A283 VanDerWaalsContact O-N 3.14Å; C281-A283 VanDerWaalsContact C-N 3.35Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 2.77Å; A283-K286 WeakPolarHBondContact O-CB 3.4Å; A283-K286 PolarHBondContact O-N 2.99Å |
| 284 | Y | 96.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 2% | 0.024 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -32.6 | 175.3 | -73.9 | -16.2 | 0 | 0 | 0 | 113.6 | L55 M60 T63 E86 K280 C281 K286 A287 | L55-Y284 HydrophobicContact CD1-CE1 4.18Å; L55-Y284 HydrophobicContact CD2-CD1 4.11Å; L55-Y284 HydrophobicContact CD2-CE1 4.32Å; L55-Y284 HydrophobicContact CG-CD1 4.46Å; L55-Y284 HydrophobicContact CG-CE1 4.3Å; M60-Y284 HydrophobicContact CB-CD2 4.5Å; M60-Y284 HydrophobicContact CB-CE2 4.37Å; M60-Y284 HydrophobicContact CE-CD1 4Å; M60-Y284 HydrophobicContact CE-CG 3.85Å; M60-Y284 HydrophobicContact CG-CD1 4.27Å; M60-Y284 HydrophobicContact CG-CD2 3.76Å; M60-Y284 HydrophobicContact CG-CE1 4.39Å; M60-Y284 HydrophobicContact CG-CE2 3.87Å; M60-Y284 HydrophobicContact CG-CG 3.97Å; M60-Y284 HydrophobicContact SD-CD2 4.47Å; M60-Y284 HydrophobicContact SD-CG 4.34Å; T63-Y284 HydrophobicContact CG2-CE2 4.03Å; T63-Y284 PolarHBondContact OG1-OH 2.98Å; E86-Y284 WeakPolarHBondContact OE1-CE1 3.3Å; E86-Y284 PolarHBondContact OE1-OH 3.38Å; K280-Y284 WeakPolarHBondContact CE-OH 3.11Å; K280-Y284 HydrophobicContact CG-CD2 4.48Å; K280-Y284 HydrophobicContact CG-CE2 4.15Å; K280-Y284 PolarHBondContact O-N 3.47Å; C281-Y284 PolarHBondContact O-N 2.77Å; Y284-K286 PolarHBondContact O-N 2.79Å; Y284-A287 WeakPolarHBondContact O-CB 3.18Å; Y284-A287 PolarHBondContact O-N 2.84Å |
| 285 | S | 96.4 | Very high | 92.6 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 19% | 0.189 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.8 | -23.9 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | I15 C281 L282 A283 A287 A288 C289 | I15-S285 WeakPolarHBondContact CD1-OG 3.45Å; C281-S285 WeakPolarHBondContact O-CB 3.47Å; C281-S285 PolarHBondContact O-N 3.47Å; C281-S285 PolarHBondContact O-OG 3.3Å; L282-S285 WeakPolarHBondContact O-CB 2.92Å; L282-S285 PolarHBondContact O-N 3.29Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 2.77Å; S285-A287 VanDerWaalsContact C-N 3.33Å; S285-A287 PolarHBondContact O-N 2.71Å; S285-A288 WeakPolarHBondContact O-CB 3.37Å; S285-A288 PolarHBondContact O-N 2.84Å; S285-A288 VanDerWaalsContact O-N 3.17Å; S285-C289 PolarHBondContact O-N 3.02Å; S285-C289 PolarHBondContact O-SG 3Å |
| 286 | K | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.013 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 173.4 | -165.4 | 75.7 | 167 | 73.4 | 0 | 112.7 | M97 C253 F254 A283 Y284 A288 C289 D290 | M97-K286 HydrophobicContact SD-CD 4.3Å; M97-K286 WeakPolarHBondContact SD-CE 3.22Å; M97-K286 HydrophobicContact SD-CG 4.33Å; M97-K286 PolarHBondContact SD-NZ 3.29Å; C253-K286 HydrophobicContact CB-CB 3.9Å; C253-K286 HydrophobicContact CB-CD 3.74Å; C253-K286 HydrophobicContact CB-CG 4.42Å; F254-K286 HydrophobicContact CD2-CD 4.35Å; F254-K286 HydrophobicContact CD2-CG 4.45Å; F254-K286 HydrophobicContact CE2-CB 3.96Å; F254-K286 HydrophobicContact CE2-CD 3.8Å; F254-K286 HydrophobicContact CE2-CG 3.49Å; F254-K286 VanDerWaalsContact CE2-CG 3.49Å; F254-K286 HydrophobicContact CZ-CB 3.94Å; F254-K286 HydrophobicContact CZ-CG 3.84Å; A283-K286 WeakPolarHBondContact O-CB 3.4Å; A283-K286 PolarHBondContact O-N 2.99Å; Y284-K286 PolarHBondContact O-N 2.79Å; K286-A288 PolarHBondContact O-N 3.21Å; K286-C289 PolarHBondContact O-N 3.43Å; K286-D290 IonicContact NZ-OD1 3.65Å; K286-D290 PolarHBondContact NZ-OD1 3.15Å; K286-D290 PolarHBondContact O-N 2.88Å |
| 287 | A | 95.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -34.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S19 N23 N52 M60 Y284 S285 P291 | S19-A287 WeakPolarHBondContact OG-CB 3.31Å; N23-A287 PolarHBondContact ND2-O 3.25Å; N52-A287 HydrophobicContact CB-CB 3.89Å; M60-A287 HydrophobicContact CE-CB 3.88Å; Y284-A287 WeakPolarHBondContact O-CB 3.18Å; Y284-A287 PolarHBondContact O-N 2.84Å; S285-A287 VanDerWaalsContact C-N 3.33Å; S285-A287 PolarHBondContact O-N 2.71Å; A287-P291 VanDerWaalsContact O-CD 3.27Å; A287-P291 WeakPolarHBondContact O-CD 3.34Å |
| 288 | A | 94.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.8 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | V18 S285 K286 F292 | V18-A288 HydrophobicContact CB-CB 4.3Å; V18-A288 HydrophobicContact CG1-CB 3.95Å; S285-A288 WeakPolarHBondContact O-CB 3.37Å; S285-A288 PolarHBondContact O-N 2.84Å; S285-A288 VanDerWaalsContact O-N 3.17Å; K286-A288 PolarHBondContact O-N 3.21Å; A288-F292 WeakPolarHBondContact O-CD2 3.37Å; A288-F292 WeakPolarHBondContact O-CE2 3.27Å |
| 289 | C | 91.8 | Very high | 88.2 | Confident | 44 Ų | 44 | 29 Ų | 29 | 30% | 0.297 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -73.5 | -32.2 | -178 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | S285 K286 F292 V293 | S285-C289 PolarHBondContact O-N 3.02Å; S285-C289 PolarHBondContact O-SG 3Å; K286-C289 PolarHBondContact O-N 3.43Å; C289-F292 PolarHBondContact O-N 2.93Å; C289-F292 VanDerWaalsContact O-N 3.12Å; C289-V293 WeakPolarHBondContact O-CG2 3.31Å; C289-V293 PolarHBondContact O-N 3.46Å |
| 290 | D | 90.7 | Very high | 87.1 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.6 | -51.2 | -172.7 | -78.1 | -10.5 | 0 | 0 | 0 | 114.1 | L48 N52 K286 F292 V293 Y294 | L48-D290 HydrophobicContact CD2-CB 4.01Å; L48-D290 HydrophobicContact CG-CB 4.5Å; N52-D290 WeakPolarHBondContact ND2-CB 3.39Å; N52-D290 PolarHBondContact ND2-OD2 3.17Å; K286-D290 IonicContact NZ-OD1 3.65Å; K286-D290 PolarHBondContact NZ-OD1 3.15Å; K286-D290 PolarHBondContact O-N 2.88Å; D290-F292 PolarHBondContact O-N 2.97Å; D290-V293 PolarHBondContact O-N 3.04Å; D290-Y294 HydrophobicContact CB-CD2 3.92Å; D290-Y294 HydrophobicContact CB-CE2 4.04Å; D290-Y294 WeakPolarHBondContact O-CD2 3.24Å; D290-Y294 PolarHBondContact O-N 3.03Å; D290-Y294 WeakPolarHBondContact OD1-CE2 3.38Å |
| 291 | P | 89.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -50.3 | -43.1 | 174.8 | -36.3 | 42.5 | 0 | 0 | 0 | 114.1 | S22 N23 V26 A287 S295 L296 | S22-P291 WeakPolarHBondContact OG-CG 3.4Å; N23-P291 HydrophobicContact CB-CG 4.28Å; N23-P291 VanDerWaalsContact CG-CG 3.43Å; N23-P291 VanDerWaalsContact OD1-CG 3.28Å; N23-P291 WeakPolarHBondContact OD1-CG 3.46Å; V26-P291 HydrophobicContact CG2-CB 3.68Å; V26-P291 HydrophobicContact CG2-CG 4.29Å; A287-P291 VanDerWaalsContact O-CD 3.27Å; A287-P291 WeakPolarHBondContact O-CD 3.34Å; P291-S295 CarbonylContact O-C 3.49Å; P291-S295 WeakPolarHBondContact O-CA 3.47Å; P291-S295 WeakPolarHBondContact O-CB 3.45Å; P291-S295 PolarHBondContact O-N 3.21Å; P291-L296 HydrophobicContact CB-CD1 3.85Å; P291-L296 HydrophobicContact CB-CG 4.2Å; P291-L296 PolarHBondContact O-N 3.07Å |
| 292 | F | 87.3 | Confident | 85.6 | Confident | 87 Ų | 87 | 37.5 Ų | 37.5 | 38% | 0.382 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -68.9 | -47.5 | -179.4 | -58.5 | -80.9 | 0 | 0 | 0 | 110.8 | V18 A288 C289 D290 L296 L297 | V18-F292 HydrophobicContact CG1-CE2 4.06Å; V18-F292 HydrophobicContact CG1-CZ 4.37Å; A288-F292 WeakPolarHBondContact O-CD2 3.37Å; A288-F292 WeakPolarHBondContact O-CE2 3.27Å; C289-F292 PolarHBondContact O-N 2.93Å; C289-F292 VanDerWaalsContact O-N 3.12Å; D290-F292 PolarHBondContact O-N 2.97Å; F292-L296 HydrophobicContact CD1-CB 4.49Å; F292-L296 HydrophobicContact CD1-CD1 4.1Å; F292-L296 HydrophobicContact CE1-CD1 4.02Å; F292-L296 HydrophobicContact CZ-CD1 4.47Å; F292-L297 HydrophobicContact CB-CD1 4.5Å; F292-L297 VanDerWaalsContact O-CB 3.26Å; F292-L297 WeakPolarHBondContact O-CB 3.42Å; F292-L297 VanDerWaalsContact O-CD1 3.22Å; F292-L297 WeakPolarHBondContact O-CD1 3.43Å; F292-L297 WeakPolarHBondContact O-CG 3.4Å; F292-L297 PolarHBondContact O-N 3.31Å |
| 293 | V | 83.6 | Confident | 84.8 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 15% | 0.152 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -65.3 | -43.1 | -177.1 | 174 | 0 | 0 | 0 | 0 | 111.8 | T245 F246 T249 C289 D290 | T245-V293 HydrophobicContact CG2-CG1 4.4Å; T245-V293 HydrophobicContact CG2-CG2 4.14Å; F246-V293 HydrophobicContact CD1-CG1 3.16Å; F246-V293 HydrophobicContact CE1-CG1 3.2Å; F246-V293 HydrophobicContact CG-CG1 4.27Å; F246-V293 HydrophobicContact CZ-CG1 4.3Å; T249-V293 HydrophobicContact CG2-CG2 4.24Å; C289-V293 WeakPolarHBondContact O-CG2 3.31Å; C289-V293 PolarHBondContact O-N 3.46Å; D290-V293 PolarHBondContact O-N 3.04Å |
| 294 | Y | 77 | Confident | 84.1 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -97.4 | -30.9 | -171.1 | -60.8 | -67 | 0 | 0 | 0 | 114.7 | L48 M97 L100 F246 D290 R298 | L48-Y294 HydrophobicContact CD2-CD2 3.67Å; L48-Y294 HydrophobicContact CD2-CE2 3.74Å; M97-Y294 HydrophobicContact CG-CE2 4.35Å; M97-Y294 WeakPolarHBondContact CG-OH 3.49Å; L100-Y294 HydrophobicContact CB-CE1 4.26Å; L100-Y294 HydrophobicContact CD1-CD1 3.91Å; L100-Y294 HydrophobicContact CD1-CD2 4.42Å; L100-Y294 HydrophobicContact CD1-CE1 3.95Å; L100-Y294 HydrophobicContact CD1-CE2 4.48Å; L100-Y294 HydrophobicContact CD1-CG 4.17Å; F246-Y294 HydrophobicContact CD1-CE1 4.03Å; F246-Y294 AromaticContact CD2-CE1 3.71Å; F246-Y294 HydrophobicContact CD2-CE1 3.71Å; F246-Y294 AromaticContact CE1-CD1 3.9Å; F246-Y294 HydrophobicContact CE1-CD1 3.9Å; F246-Y294 AromaticContact CE1-CE1 3.79Å; F246-Y294 HydrophobicContact CE1-CE1 3.79Å; F246-Y294 AromaticContact CE2-CD1 3.79Å; F246-Y294 HydrophobicContact CE2-CD1 3.79Å; F246-Y294 AromaticContact CE2-CE1 3.4Å; F246-Y294 HydrophobicContact CE2-CE1 3.4Å; F246-Y294 VanDerWaalsContact CE2-CE1 3.4Å; F246-Y294 HydrophobicContact CG-CE1 4.01Å; F246-Y294 AromaticContact CZ-CD1 3.44Å; F246-Y294 HydrophobicContact CZ-CD1 3.44Å; F246-Y294 VanDerWaalsContact CZ-CD1 3.44Å; F246-Y294 AromaticContact CZ-CE1 3.45Å; F246-Y294 HydrophobicContact CZ-CE1 3.45Å; F246-Y294 VanDerWaalsContact CZ-CE1 3.45Å; D290-Y294 HydrophobicContact CB-CD2 3.92Å; D290-Y294 HydrophobicContact CB-CE2 4.04Å; D290-Y294 WeakPolarHBondContact O-CD2 3.24Å; D290-Y294 PolarHBondContact O-N 3.03Å; D290-Y294 WeakPolarHBondContact OD1-CE2 3.38Å; Y294-R298 WeakPolarHBondContact O-CD 3.32Å; Y294-R298 PolarHBondContact O-NE 2.83Å |
| 295 | S | 79.3 | Confident | 83.5 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -126.3 | -67.6 | -164.8 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | N45 P291 L297 R298 Y301 | N45-S295 PolarHBondContact ND2-OG 3.45Å; P291-S295 CarbonylContact O-C 3.49Å; P291-S295 WeakPolarHBondContact O-CA 3.47Å; P291-S295 WeakPolarHBondContact O-CB 3.45Å; P291-S295 PolarHBondContact O-N 3.21Å; S295-L297 VanDerWaalsContact C-N 3.26Å; S295-L297 PolarHBondContact O-N 3.24Å; S295-L297 VanDerWaalsContact O-N 3.14Å; S295-R298 VanDerWaalsContact O-CB 3.24Å; S295-R298 WeakPolarHBondContact O-CB 3.46Å; S295-R298 PolarHBondContact O-N 2.86Å; S295-Y301 VanDerWaalsContact O-CB 3.23Å; S295-Y301 WeakPolarHBondContact O-CB 3.04Å; S295-Y301 WeakPolarHBondContact O-CD2 3.46Å |
| 296 | L | 74.1 | Confident | 83 | Confident | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -65.1 | -23.4 | -167.4 | -58.3 | 177.6 | 0 | 0 | 0 | 114 | L25 V26 P291 F292 R298 K302 | L25-L296 HydrophobicContact CD2-CD1 4.15Å; L25-L296 HydrophobicContact CD2-CD2 3.7Å; L25-L296 HydrophobicContact CG-CD2 3.89Å; V26-L296 HydrophobicContact CG2-CD1 4.45Å; V26-L296 HydrophobicContact CG2-CD2 3.82Å; V26-L296 HydrophobicContact CG2-CG 3.89Å; P291-L296 HydrophobicContact CB-CD1 3.85Å; P291-L296 HydrophobicContact CB-CG 4.2Å; P291-L296 PolarHBondContact O-N 3.07Å; F292-L296 HydrophobicContact CD1-CB 4.49Å; F292-L296 HydrophobicContact CD1-CD1 4.1Å; F292-L296 HydrophobicContact CE1-CD1 4.02Å; F292-L296 HydrophobicContact CZ-CD1 4.47Å; L296-R298 VanDerWaalsContact C-N 3.3Å; L296-K302 WeakPolarHBondContact O-CE 3.34Å; L296-K302 VanDerWaalsContact O-CG 3.24Å; L296-K302 WeakPolarHBondContact O-CG 3.25Å |
| 297 | L | 71.4 | Confident | 82.5 | Confident | 113 Ų | 113 | 47 Ų | 47 | 59% | 0.592 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.1 | 173.5 | -65 | 177.2 | 0 | 0 | 0 | 113.6 | F292 S295 | F292-L297 HydrophobicContact CB-CD1 4.5Å; F292-L297 VanDerWaalsContact O-CB 3.26Å; F292-L297 WeakPolarHBondContact O-CB 3.42Å; F292-L297 VanDerWaalsContact O-CD1 3.22Å; F292-L297 WeakPolarHBondContact O-CD1 3.43Å; F292-L297 WeakPolarHBondContact O-CG 3.4Å; F292-L297 PolarHBondContact O-N 3.31Å; S295-L297 VanDerWaalsContact C-N 3.26Å; S295-L297 PolarHBondContact O-N 3.24Å; S295-L297 VanDerWaalsContact O-N 3.14Å |
| 298 | R | 73.8 | Confident | 82.1 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -85.2 | 142.8 | 176.1 | -60.8 | -173 | -179.4 | -115.6 | -9.9 | 111.7 | R104 Y294 S295 L296 Q300 Y301 K302 | R104-R298 VanDerWaalsContact CZ-CZ 3.41Å; R104-R298 VanDerWaalsContact NH2-CZ 3.34Å; R104-R298 VanDerWaalsContact NH2-NH2 3.17Å; Y294-R298 WeakPolarHBondContact O-CD 3.32Å; Y294-R298 PolarHBondContact O-NE 2.83Å; S295-R298 VanDerWaalsContact O-CB 3.24Å; S295-R298 WeakPolarHBondContact O-CB 3.46Å; S295-R298 PolarHBondContact O-N 2.86Å; L296-R298 VanDerWaalsContact C-N 3.3Å; R298-Q300 VanDerWaalsContact C-N 3.27Å; R298-Q300 PolarHBondContact O-N 3.23Å; R298-Y301 HydrophobicContact CB-CD2 4.23Å; R298-Y301 PolarHBondContact O-N 3.43Å; R298-Y301 VanDerWaalsContact O-N 3.17Å; R298-K302 PolarHBondContact O-N 3.44Å |
| 299 | H | 72.9 | Confident | 81.8 | Confident | 149 Ų | 149 | 52.5 Ų | 52.5 | 69% | 0.69 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -53.6 | -41.3 | 178.8 | -178 | -92.2 | 0 | 0 | 0 | 113.2 | K302 K303 | H299-K302 PolarHBondContact O-N 3.3Å; H299-K303 WeakPolarHBondContact O-CB 3.31Å; H299-K303 PolarHBondContact O-N 3.42Å |
| 300 | Q | 73.1 | Confident | 81.6 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | -179.8 | -69.4 | 171.5 | -13.9 | 0 | 0 | 112.9 | Q39 R298 T304 | Q39-Q300 VanDerWaalsContact NE2-CD 3.31Å; R298-Q300 VanDerWaalsContact C-N 3.27Å; R298-Q300 PolarHBondContact O-N 3.23Å; Q300-T304 PolarHBondContact O-N 2.79Å; Q300-T304 VanDerWaalsContact O-N 3.08Å; Q300-T304 PolarHBondContact O-OG1 2.96Å |
| 301 | Y | 77.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 175.7 | -79.7 | -97 | 0 | 0 | 0 | 110.9 | V26 C29 I36 S295 R298 K303 T304 C305 | V26-Y301 HydrophobicContact CG1-CE1 4.08Å; C29-Y301 HydrophobicContact CB-CD1 3.62Å; C29-Y301 HydrophobicContact CB-CE1 3.87Å; I36-Y301 HydrophobicContact CD1-CD1 4.18Å; I36-Y301 HydrophobicContact CD1-CD2 4.04Å; I36-Y301 HydrophobicContact CD1-CE1 4.13Å; I36-Y301 HydrophobicContact CD1-CE2 3.97Å; I36-Y301 HydrophobicContact CD1-CG 4.15Å; I36-Y301 HydrophobicContact CG1-CE2 4.5Å; I36-Y301 HydrophobicContact CG2-CE1 4.39Å; I36-Y301 HydrophobicContact CG2-CE2 3.96Å; I36-Y301 VanDerWaalsContact CG2-OH 3.22Å; I36-Y301 WeakPolarHBondContact CG2-OH 3.3Å; S295-Y301 VanDerWaalsContact O-CB 3.23Å; S295-Y301 WeakPolarHBondContact O-CB 3.04Å; S295-Y301 WeakPolarHBondContact O-CD2 3.46Å; R298-Y301 HydrophobicContact CB-CD2 4.23Å; R298-Y301 PolarHBondContact O-N 3.43Å; R298-Y301 VanDerWaalsContact O-N 3.17Å; Y301-K303 PolarHBondContact O-N 3.11Å; Y301-T304 WeakPolarHBondContact O-CB 3.41Å; Y301-T304 PolarHBondContact O-N 3.36Å; Y301-T304 VanDerWaalsContact O-N 3.15Å; Y301-C305 PolarHBondContact O-N 2.7Å; Y301-C305 PolarHBondContact O-SG 3.46Å |
| 302 | K | 83.6 | Confident | 81.1 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 175.1 | -70.5 | -172.5 | 174.6 | -169.7 | 0 | 112.3 | L296 R298 H299 T304 C305 T306 | L296-K302 WeakPolarHBondContact O-CE 3.34Å; L296-K302 VanDerWaalsContact O-CG 3.24Å; L296-K302 WeakPolarHBondContact O-CG 3.25Å; R298-K302 PolarHBondContact O-N 3.44Å; H299-K302 PolarHBondContact O-N 3.3Å; K302-T304 VanDerWaalsContact C-N 3.32Å; K302-T304 PolarHBondContact O-N 3.12Å; K302-C305 WeakPolarHBondContact O-CB 3.48Å; K302-C305 PolarHBondContact O-N 2.95Å; K302-T306 PolarHBondContact O-N 3.05Å; K302-T306 PolarHBondContact O-OG1 3.48Å; K302-T306 VanDerWaalsContact O-OG1 3.1Å |
| 303 | K | 82.6 | Confident | 81 | Confident | 122 Ų | 122 | 67.7 Ų | 67.7 | 53% | 0.53 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.9 | -176.5 | 179.7 | 177.6 | -178.2 | 0 | 111.1 | H299 Y301 C305 T306 D307 | H299-K303 WeakPolarHBondContact O-CB 3.31Å; H299-K303 PolarHBondContact O-N 3.42Å; Y301-K303 PolarHBondContact O-N 3.11Å; K303-C305 PolarHBondContact O-N 3.01Å; K303-T306 PolarHBondContact O-N 2.92Å; K303-D307 WeakPolarHBondContact O-CB 3.36Å; K303-D307 PolarHBondContact O-N 2.83Å |
| 304 | T | 80.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 178 | -51.3 | 0 | 0 | 0 | 0 | 111.8 | C29 Y32 N33 Q300 Y301 K302 T306 D307 I308 | C29-T304 HydrophobicContact CB-CG2 4.17Å; Y32-T304 HydrophobicContact CD1-CG2 4.12Å; N33-T304 HydrophobicContact CB-CG2 3.89Å; N33-T304 PolarHBondContact ND2-OG1 2.98Å; Q300-T304 PolarHBondContact O-N 2.79Å; Q300-T304 VanDerWaalsContact O-N 3.08Å; Q300-T304 PolarHBondContact O-OG1 2.96Å; Y301-T304 WeakPolarHBondContact O-CB 3.41Å; Y301-T304 PolarHBondContact O-N 3.36Å; Y301-T304 VanDerWaalsContact O-N 3.15Å; K302-T304 VanDerWaalsContact C-N 3.32Å; K302-T304 PolarHBondContact O-N 3.12Å; T304-T306 PolarHBondContact O-N 3.31Å; T304-D307 PolarHBondContact O-N 2.64Å; T304-I308 HydrophobicContact CG2-CD1 3.88Å; T304-I308 HydrophobicContact CG2-CG1 4.46Å; T304-I308 WeakPolarHBondContact O-CB 3.18Å; T304-I308 VanDerWaalsContact O-CG1 3.25Å; T304-I308 WeakPolarHBondContact O-CG1 3.31Å; T304-I308 PolarHBondContact O-N 3.31Å |
| 305 | C | 83.9 | Confident | 80.4 | Confident | 33 Ų | 33 | 81.8 Ų | 81.8 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 174.8 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | C29 Y301 K302 K303 I308 L309 | C29-C305 PolarHBondContact SG-SG 3.26Å; Y301-C305 PolarHBondContact O-N 2.7Å; Y301-C305 PolarHBondContact O-SG 3.46Å; K302-C305 WeakPolarHBondContact O-CB 3.48Å; K302-C305 PolarHBondContact O-N 2.95Å; K303-C305 PolarHBondContact O-N 3.01Å; C305-I308 PolarHBondContact O-N 2.95Å; C305-L309 VanDerWaalsContact O-CB 3.31Å; C305-L309 WeakPolarHBondContact O-CB 3.45Å; C305-L309 PolarHBondContact O-N 3.46Å |
| 306 | T | 85.3 | Confident | 79.7 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.5 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | K302 K303 T304 I308 L309 N310 | K302-T306 PolarHBondContact O-N 3.05Å; K302-T306 PolarHBondContact O-OG1 3.48Å; K302-T306 VanDerWaalsContact O-OG1 3.1Å; K303-T306 PolarHBondContact O-N 2.92Å; T304-T306 PolarHBondContact O-N 3.31Å; T306-I308 PolarHBondContact O-N 3.25Å; T306-L309 PolarHBondContact O-N 3.26Å; T306-N310 VanDerWaalsContact O-CB 3.28Å; T306-N310 WeakPolarHBondContact O-CB 3.25Å; T306-N310 PolarHBondContact O-N 2.76Å; T306-N310 PolarHBondContact O-ND2 3.42Å |
| 307 | D | 84.7 | Confident | 79.1 | Confident | 64 Ų | 64 | 87.2 Ų | 87.2 | 34% | 0.342 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 178.4 | -69.2 | -20.6 | 0 | 0 | 0 | 111.7 | K303 T304 R311 | K303-D307 WeakPolarHBondContact O-CB 3.36Å; K303-D307 PolarHBondContact O-N 2.83Å; T304-D307 PolarHBondContact O-N 2.64Å; D307-R311 WeakPolarHBondContact O-CB 3.41Å; D307-R311 VanDerWaalsContact O-CG 3.3Å; D307-R311 WeakPolarHBondContact O-CG 3.33Å; D307-R311 PolarHBondContact O-N 3.03Å; D307-R311 VanDerWaalsContact O-N 3.1Å |
| 308 | I | 87.1 | Confident | 78.5 | Confident | 29 Ų | 29 | 87 Ų | 87 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66 | -48.6 | 175.4 | -68.5 | 166.5 | 0 | 0 | 0 | 110.2 | I28 Y32 T304 C305 T306 N310 R311 L312 | I28-I308 HydrophobicContact CG2-CD1 3.91Å; Y32-I308 HydrophobicContact CD1-CD1 4.13Å; Y32-I308 HydrophobicContact CD1-CG1 3.89Å; Y32-I308 HydrophobicContact CE1-CG1 4.12Å; Y32-I308 HydrophobicContact CG-CD1 4.11Å; Y32-I308 HydrophobicContact CG-CG1 4.14Å; T304-I308 HydrophobicContact CG2-CD1 3.88Å; T304-I308 HydrophobicContact CG2-CG1 4.46Å; T304-I308 WeakPolarHBondContact O-CB 3.18Å; T304-I308 VanDerWaalsContact O-CG1 3.25Å; T304-I308 WeakPolarHBondContact O-CG1 3.31Å; T304-I308 PolarHBondContact O-N 3.31Å; C305-I308 PolarHBondContact O-N 2.95Å; T306-I308 PolarHBondContact O-N 3.25Å; I308-N310 PolarHBondContact O-N 3.34Å; I308-R311 PolarHBondContact O-N 3.33Å; I308-R311 VanDerWaalsContact O-N 3.15Å; I308-L312 HydrophobicContact CG2-CD1 3.95Å; I308-L312 HydrophobicContact CG2-CG 4.35Å; I308-L312 WeakPolarHBondContact O-CG 3.49Å; I308-L312 PolarHBondContact O-N 3.41Å |
| 309 | L | 88.6 | Confident | 77.5 | Confident | 98 Ų | 98 | 91.1 Ų | 91.1 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 179.8 | -177.6 | 63.2 | 0 | 0 | 0 | 111.1 | C305 T306 R311 L312 L313 | C305-L309 VanDerWaalsContact O-CB 3.31Å; C305-L309 WeakPolarHBondContact O-CB 3.45Å; C305-L309 PolarHBondContact O-N 3.46Å; T306-L309 PolarHBondContact O-N 3.26Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 3.01Å; L309-L312 PolarHBondContact O-N 3.46Å; L309-L313 HydrophobicContact CD1-CD1 4.2Å; L309-L313 HydrophobicContact CD1-CG 4.22Å; L309-L313 HydrophobicContact CG-CD1 3.89Å; L309-L313 HydrophobicContact CG-CG 4.33Å; L309-L313 WeakPolarHBondContact O-CB 3.49Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.5Å; L309-L313 PolarHBondContact O-N 2.98Å |
| 310 | N | 87.7 | Confident | 76.5 | Confident | 89 Ų | 89 | 88.2 Ų | 88.2 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 176.5 | -73 | -15.2 | 0 | 0 | 0 | 112 | T306 I308 K314 | T306-N310 VanDerWaalsContact O-CB 3.28Å; T306-N310 WeakPolarHBondContact O-CB 3.25Å; T306-N310 PolarHBondContact O-N 2.76Å; T306-N310 PolarHBondContact O-ND2 3.42Å; I308-N310 PolarHBondContact O-N 3.34Å; N310-K314 WeakPolarHBondContact O-CB 3.18Å; N310-K314 PolarHBondContact O-N 2.92Å |
| 311 | R | 83.8 | Confident | 75.4 | Confident | 166 Ų | 166 | 88.7 Ų | 88.7 | 63% | 0.626 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.9 | -39.9 | 175.1 | -75.5 | 176.1 | -177.9 | -120 | 2.1 | 112.6 | Y32 D307 I308 L309 K314 R315 | Y32-R311 WeakPolarHBondContact OH-CD 3.11Å; Y32-R311 PolarHBondContact OH-NE 3.25Å; Y32-R311 PolarHBondContact OH-NH1 2.85Å; D307-R311 WeakPolarHBondContact O-CB 3.41Å; D307-R311 VanDerWaalsContact O-CG 3.3Å; D307-R311 WeakPolarHBondContact O-CG 3.33Å; D307-R311 PolarHBondContact O-N 3.03Å; D307-R311 VanDerWaalsContact O-N 3.1Å; I308-R311 PolarHBondContact O-N 3.33Å; I308-R311 VanDerWaalsContact O-N 3.15Å; L309-R311 VanDerWaalsContact C-N 3.28Å; L309-R311 PolarHBondContact O-N 3.01Å; R311-K314 PolarHBondContact O-N 3.35Å; R311-R315 VanDerWaalsContact O-CB 3.26Å; R311-R315 WeakPolarHBondContact O-CB 3.15Å; R311-R315 PolarHBondContact O-N 2.94Å |
| 312 | L | 85.8 | Confident | 73.9 | Confident | 104 Ų | 104 | 91.6 Ų | 91.6 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.7 | -69.5 | 174.1 | 0 | 0 | 0 | 111.4 | I308 L309 R315 S316 | I308-L312 HydrophobicContact CG2-CD1 3.95Å; I308-L312 HydrophobicContact CG2-CG 4.35Å; I308-L312 WeakPolarHBondContact O-CG 3.49Å; I308-L312 PolarHBondContact O-N 3.41Å; L309-L312 PolarHBondContact O-N 3.46Å; L312-R315 PolarHBondContact O-N 2.9Å; L312-S316 PolarHBondContact O-N 2.7Å; L312-S316 PolarHBondContact O-OG 2.88Å |
| 313 | L | 84.2 | Confident | 71.9 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.3 | -68.5 | 173.7 | 0 | 0 | 0 | 112.3 | L309 S316 S317 | L309-L313 HydrophobicContact CD1-CD1 4.2Å; L309-L313 HydrophobicContact CD1-CG 4.22Å; L309-L313 HydrophobicContact CG-CD1 3.89Å; L309-L313 HydrophobicContact CG-CG 4.33Å; L309-L313 WeakPolarHBondContact O-CB 3.49Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.5Å; L309-L313 PolarHBondContact O-N 2.98Å; L313-S316 WeakPolarHBondContact CA-OG 3.49Å; L313-S316 PolarHBondContact O-N 3.39Å; L313-S316 PolarHBondContact O-OG 3.41Å; L313-S317 WeakPolarHBondContact O-CB 3.24Å; L313-S317 PolarHBondContact O-N 3.37Å |
| 314 | K | 79.2 | Confident | 69.5 | Low | 148 Ų | 148 | 102.9 Ų | 102.9 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.7 | -35.8 | 174.6 | -164.8 | 174.2 | -174.3 | -178.5 | 0 | 111.5 | N310 R311 S317 L318 | N310-K314 WeakPolarHBondContact O-CB 3.18Å; N310-K314 PolarHBondContact O-N 2.92Å; R311-K314 PolarHBondContact O-N 3.35Å; K314-S317 PolarHBondContact O-N 3.14Å; K314-L318 HydrophobicContact CG-CD1 4.32Å; K314-L318 WeakPolarHBondContact O-CB 3.3Å; K314-L318 VanDerWaalsContact O-CG 3.27Å; K314-L318 WeakPolarHBondContact O-CG 3.08Å; K314-L318 PolarHBondContact O-N 3.25Å |
| 315 | R | 69.1 | Low | 67.1 | Low | 176 Ų | 176 | 108.9 Ų | 108.9 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.5 | -36.8 | 175.8 | -164 | 174.8 | -173.6 | 179.3 | 1 | 112.1 | R311 L312 L318 N319 | R311-R315 VanDerWaalsContact O-CB 3.26Å; R311-R315 WeakPolarHBondContact O-CB 3.15Å; R311-R315 PolarHBondContact O-N 2.94Å; L312-R315 PolarHBondContact O-N 2.9Å; R315-L318 PolarHBondContact O-N 3.24Å; R315-N319 WeakPolarHBondContact O-CB 3.24Å; R315-N319 VanDerWaalsContact O-CG 3.27Å; R315-N319 PolarHBondContact O-N 3.28Å |
| 316 | S | 65.1 | Low | 64.5 | Low | 67 Ų | 67 | 116.3 Ų | 116.3 | 47% | 0.469 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68 | -38.6 | 172.2 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | L312 L313 N319 A320 | L312-S316 PolarHBondContact O-N 2.7Å; L312-S316 PolarHBondContact O-OG 2.88Å; L313-S316 WeakPolarHBondContact CA-OG 3.49Å; L313-S316 PolarHBondContact O-N 3.39Å; L313-S316 PolarHBondContact O-OG 3.41Å; S316-N319 PolarHBondContact O-N 2.68Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 2.86Å |
| 317 | S | 61.3 | Low | 61.8 | Low | 72 Ų | 72 | 122.4 Ų | 122.4 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.9 | -42.5 | 172.4 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | L313 K314 A320 S321 | L313-S317 WeakPolarHBondContact O-CB 3.24Å; L313-S317 PolarHBondContact O-N 3.37Å; K314-S317 PolarHBondContact O-N 3.14Å; S317-A320 PolarHBondContact O-N 2.81Å; S317-S321 VanDerWaalsContact O-CB 3.3Å; S317-S321 WeakPolarHBondContact O-CB 3.28Å; S317-S321 PolarHBondContact O-N 3.24Å |
| 318 | L | 57.9 | Low | 59 | Low | 108 Ų | 108 | 128.8 Ų | 128.8 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.4 | -37.6 | 175.7 | -74.2 | 165.8 | 0 | 0 | 0 | 112.5 | K314 R315 A320 S321 G322 | K314-L318 HydrophobicContact CG-CD1 4.32Å; K314-L318 WeakPolarHBondContact O-CB 3.3Å; K314-L318 VanDerWaalsContact O-CG 3.27Å; K314-L318 WeakPolarHBondContact O-CG 3.08Å; K314-L318 PolarHBondContact O-N 3.25Å; R315-L318 PolarHBondContact O-N 3.24Å; L318-A320 VanDerWaalsContact C-N 3.29Å; L318-A320 PolarHBondContact O-N 2.97Å; L318-S321 CarbonylContact O-C 3.52Å; L318-S321 PolarHBondContact O-N 3.29Å; L318-G322 PolarHBondContact O-N 3.35Å |
| 319 | N | 53.3 | Low | 56 | Low | 130 Ų | 130 | 130.9 Ų | 130.9 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.8 | -29.4 | 173.4 | -74.2 | -3 | 0 | 0 | 0 | 112.3 | R315 S316 | R315-N319 WeakPolarHBondContact O-CB 3.24Å; R315-N319 VanDerWaalsContact O-CG 3.27Å; R315-N319 PolarHBondContact O-N 3.28Å; S316-N319 PolarHBondContact O-N 2.68Å |
| 320 | A | 52.4 | Low | 52.9 | Low | 87 Ų | 87 | 131.5 Ų | 131.5 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -76.4 | -28.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S316 S317 L318 | S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 2.86Å; S317-A320 PolarHBondContact O-N 2.81Å; L318-A320 VanDerWaalsContact C-N 3.29Å; L318-A320 PolarHBondContact O-N 2.97Å |
| 321 | S | 50.4 | Low | 49.9 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 58% | 0.58 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -91.8 | -0.5 | -179 | -148.3 | 0 | 0 | 0 | 0 | 114 | S317 L318 R323 | S317-S321 VanDerWaalsContact O-CB 3.3Å; S317-S321 WeakPolarHBondContact O-CB 3.28Å; S317-S321 PolarHBondContact O-N 3.24Å; L318-S321 CarbonylContact O-C 3.52Å; L318-S321 PolarHBondContact O-N 3.29Å; S321-R323 PolarHBondContact O-N 3.42Å |
| 322 | G | 44.8 | Very low | 47.2 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | trans | -66.3 | 16.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L318 | L318-G322 PolarHBondContact O-N 3.35Š| ||
| 323 | R | 40.8 | Very low | 44.7 | Very low | 233 Ų | 233 | 132 Ų | 132 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -114.7 | 67.2 | 163.1 | -76.8 | -174.7 | 178.1 | -177.7 | -0.2 | 109.6 | S321 | S321-R323 PolarHBondContact O-N 3.42Š|
| 324 | R | 32.2 | Very low | 42.1 | Very low | 237 Ų | 237 | 133.6 Ų | 133.6 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 176.4 | 148.9 | 147.3 | -99.1 | 163 | -164.2 | -159.7 | 4.9 | 111.4 | ||
| 325 | P | 31.7 | Very low | 39.7 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -84.5 | 161.2 | -169.7 | -0.7 | 20.9 | 0 | 0 | 0 | 114.1 | ||||
| 326 | E | 29.6 | Very low | 37.8 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -59.7 | 158.8 | -174.6 | -65.5 | 171.2 | 118.5 | 0 | 0 | 117.2 | ||||
| 327 | Q | 27.2 | Very low | 36.2 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 95% | 0.949 | 77% | 0.77 | S | S | * | * | trans | -153.3 | 163.3 | 140.7 | -113.1 | 179.2 | 5.3 | 0 | 0 | 111.6 | ||||
| 328 | Q | 25.8 | Very low | 34.8 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -122.7 | 159.9 | -134.2 | -178.8 | 168.4 | -2.2 | 0 | 0 | 114.1 | ||||
| 329 | G | 24.6 | Very low | 33.7 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 106.9 | 146.8 | 162 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 330 | S | 23.7 | Very low | 33.2 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | cis | -170.7 | 143.1 | -2.4 | 59 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 331 | S | 24.7 | Very low | 32.6 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 34.3 | 113 | 145.5 | 49.1 | 0 | 0 | 0 | 0 | 126 | ||||
| 332 | I | 28.6 | Very low | 32.2 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | 14.2 | 144.5 | 119.8 | -53.4 | -177.6 | 0 | 0 | 0 | 118.7 | |||||
| 333 | P | 33 | Very low | 31.9 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | -143.8 | 147.6 | 51 | 26.9 | -0.5 | 0 | 0 | 0 | 119.2 | |||||
| 334 | T | 28 | Very low | 32 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | 57 | 108.4 | 95.1 | -37.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 335 | V | 29.6 | Very low | 32.6 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | trans | -114.1 | 137.4 | 167 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 336 | L | 29 | Very low | 32.9 | Very low | 160 Ų | 160 | 125 Ų | 125 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -66.6 | 152.9 | -163.2 | -140.2 | 78.7 | 0 | 0 | 0 | 115.7 | ||||
| 337 | T | 31.2 | Very low | 33.8 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | -50.4 | 132.9 | 178.1 | -34.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 338 | R | 32.8 | Very low | 34.3 | Very low | 184 Ų | 184 | 115.7 Ų | 115.7 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | trans | -97 | 108.7 | 173.8 | -158.9 | 179.9 | -167.2 | 179.9 | 4.1 | 109.3 | F357 | R338-F357 VanDerWaalsContact NH2-CD1 3.34Å; R338-F357 VanDerWaalsContact NH2-CE1 3.26Å | ||
| 339 | A | 33.7 | Very low | 35 | Very low | 78 Ų | 78 | 107.5 Ų | 107.5 | 65% | 0.645 | 66% | 0.661 | S | S | * | * | trans | -114.6 | 132.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 340 | N | 43.5 | Very low | 36 | Very low | 149 Ų | 149 | 107.6 Ų | 107.6 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | trans | 47.9 | 92.2 | 146.6 | -61 | -15 | 0 | 0 | 0 | 119.4 | ||||
| 341 | L | 40.1 | Very low | 37.1 | Very low | 122 Ų | 122 | 107.3 Ų | 107.3 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | trans | -146.4 | 18.1 | 161 | -134.3 | 82.7 | 0 | 0 | 0 | 115.4 | Y360 | L341-Y360 HydrophobicContact CD2-CD1 4.32Å; L341-Y360 HydrophobicContact CD2-CE1 3.88Å | ||
| 342 | C | 41.1 | Very low | 38.1 | Very low | 40 Ų | 40 | 105.3 Ų | 105.3 | 27% | 0.27 | 62% | 0.615 | S | S | . | * | trans | -137.9 | 70.1 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | G344 V345 | C342-G344 PolarHBondContact O-N 3.26Å; C342-V345 HydrophobicContact CB-CB 4.46Å; C342-V345 HydrophobicContact CB-CG2 4.17Å | ||
| 343 | T | 39.6 | Very low | 39.2 | Very low | 153 Ų | 153 | 101.8 Ų | 101.8 | 94% | 0.939 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 5.5 | -176.2 | 42.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 344 | G | 43.3 | Very low | 39.8 | Very low | 74 Ų | 74 | 101.3 Ų | 101.3 | 76% | 0.763 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 0.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | C342 | C342-G344 PolarHBondContact O-N 3.26Š|
| 345 | V | 43.9 | Very low | 40.9 | Very low | 30 Ų | 30 | 97.9 Ų | 97.9 | 18% | 0.182 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -93.3 | 130.5 | -177.8 | 179.1 | 0 | 0 | 0 | 0 | 110 | C342 T347 L352 Q353 C356 | C342-V345 HydrophobicContact CB-CB 4.46Å; C342-V345 HydrophobicContact CB-CG2 4.17Å; V345-T347 PolarHBondContact O-N 3.33Å; V345-T347 VanDerWaalsContact O-N 3.16Å; V345-L352 HydrophobicContact CG1-CB 3.98Å; V345-L352 HydrophobicContact CG1-CD2 4.06Å; V345-Q353 HydrophobicContact CB-CG 4.45Å; V345-Q353 HydrophobicContact CG1-CG 3.95Å; V345-C356 HydrophobicContact CG2-CB 4.37Å |
| 346 | P | 39.1 | Very low | 41.8 | Very low | 88 Ų | 88 | 93.2 Ų | 93.2 | 57% | 0.571 | 53% | 0.533 | S | S | * | . | trans | -55.1 | 122.3 | 174.9 | -23 | 31.9 | 0 | 0 | 0 | 110.9 | D348 C349 | P346-D348 PolarHBondContact O-N 2.94Å; P346-C349 PolarHBondContact O-N 3.35Å | ||
| 347 | T | 47.6 | Very low | 42.9 | Very low | 99 Ų | 99 | 89.5 Ų | 89.5 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -9.3 | -177.6 | 49.1 | 0 | 0 | 0 | 0 | 114 | V345 C349 | V345-T347 PolarHBondContact O-N 3.33Å; V345-T347 VanDerWaalsContact O-N 3.16Å; T347-C349 VanDerWaalsContact C-N 3.34Å; T347-C349 PolarHBondContact O-N 3.44Å |
| 348 | D | 37.7 | Very low | 43.7 | Very low | 97 Ų | 97 | 89.4 Ų | 89.4 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.8 | -176.7 | -65.5 | -26.3 | 0 | 0 | 0 | 114 | R235 P346 | R235-D348 PolarHBondContact NH1-O 2.76Å; P346-D348 PolarHBondContact O-N 2.94Å |
| 349 | C | 40.4 | Very low | 44.6 | Very low | 25 Ų | 25 | 84.9 Ų | 84.9 | 17% | 0.169 | 49% | 0.488 | C | S | . | . | trans | -130.5 | 94.1 | 178.6 | -86.2 | 0 | 0 | 0 | 0 | 113.4 | C228 P346 T347 E351 L352 Q353 | C228-C349 VanDerWaalsContact SG-SG 3.63Å; P346-C349 PolarHBondContact O-N 3.35Å; T347-C349 VanDerWaalsContact C-N 3.34Å; T347-C349 PolarHBondContact O-N 3.44Å; C349-E351 VanDerWaalsContact C-N 3.28Å; C349-E351 PolarHBondContact O-N 3.46Å; C349-L352 HydrophobicContact CB-CB 4.12Å; C349-L352 WeakPolarHBondContact O-CB 3.34Å; C349-L352 PolarHBondContact O-N 2.88Å; C349-L352 VanDerWaalsContact O-N 3.14Å; C349-Q353 PolarHBondContact O-N 2.95Å | ||
| 350 | P | 45.9 | Very low | 45.3 | Very low | 75 Ų | 75 | 88.3 Ų | 88.3 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -25.7 | -179.9 | 24.6 | -31.9 | 0 | 0 | 0 | 113.7 | L352 Q353 H354 | P350-L352 VanDerWaalsContact C-N 3.32Å; P350-L352 PolarHBondContact O-N 3.19Å; P350-Q353 PolarHBondContact O-N 3.12Å; P350-H354 PolarHBondContact O-N 2.73Å |
| 351 | E | 45.9 | Very low | 45.5 | Very low | 106 Ų | 106 | 86.5 Ų | 86.5 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 172 | -75.9 | -95.7 | 136.9 | 0 | 0 | 111.8 | C349 H354 I355 | C349-E351 VanDerWaalsContact C-N 3.28Å; C349-E351 PolarHBondContact O-N 3.46Å; E351-H354 PolarHBondContact O-N 2.89Å; E351-I355 WeakPolarHBondContact O-CB 3.4Å; E351-I355 VanDerWaalsContact O-CG1 3.23Å; E351-I355 WeakPolarHBondContact O-CG1 3.46Å; E351-I355 PolarHBondContact O-N 3.41Å |
| 352 | L | 46.4 | Very low | 45.8 | Very low | 66 Ų | 66 | 85.7 Ų | 85.7 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.3 | -35.6 | 177.6 | -127.5 | 88.3 | 0 | 0 | 0 | 111.6 | V345 C349 P350 H354 I355 C356 | V345-L352 HydrophobicContact CG1-CB 3.98Å; V345-L352 HydrophobicContact CG1-CD2 4.06Å; C349-L352 HydrophobicContact CB-CB 4.12Å; C349-L352 WeakPolarHBondContact O-CB 3.34Å; C349-L352 PolarHBondContact O-N 2.88Å; C349-L352 VanDerWaalsContact O-N 3.14Å; P350-L352 VanDerWaalsContact C-N 3.32Å; P350-L352 PolarHBondContact O-N 3.19Å; L352-H354 VanDerWaalsContact C-N 3.33Å; L352-I355 PolarHBondContact O-N 3.38Å; L352-C356 WeakPolarHBondContact O-CB 3.37Å; L352-C356 PolarHBondContact O-N 3.36Å |
| 353 | Q | 51.9 | Low | 45.7 | Very low | 76 Ų | 76 | 91.6 Ų | 91.6 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 172 | -70.6 | -175.8 | -41.9 | 0 | 0 | 111.3 | V345 C349 P350 C356 F357 | V345-Q353 HydrophobicContact CB-CG 4.45Å; V345-Q353 HydrophobicContact CG1-CG 3.95Å; C349-Q353 PolarHBondContact O-N 2.95Å; P350-Q353 PolarHBondContact O-N 3.12Å; Q353-C356 PolarHBondContact O-N 3.11Å; Q353-F357 WeakPolarHBondContact O-CB 3.45Å; Q353-F357 PolarHBondContact O-N 2.75Å |
| 354 | H | 45.9 | Very low | 45.8 | Very low | 101 Ų | 101 | 85.7 Ų | 85.7 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70 | -36.8 | 177.5 | -153.9 | -84.5 | 0 | 0 | 0 | 112.4 | P350 E351 L352 K358 | P350-H354 PolarHBondContact O-N 2.73Å; E351-H354 PolarHBondContact O-N 2.89Å; L352-H354 VanDerWaalsContact C-N 3.33Å; H354-K358 WeakPolarHBondContact O-CG 3.39Å; H354-K358 PolarHBondContact O-N 3.19Å |
| 355 | I | 50.5 | Low | 45.7 | Very low | 57 Ų | 57 | 85.4 Ų | 85.4 | 29% | 0.292 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70 | -43.9 | 173.6 | -67.7 | 164.3 | 0 | 0 | 0 | 110.3 | V224 E351 L352 F357 K358 I359 | V224-I355 HydrophobicContact CG1-CD1 3.83Å; E351-I355 WeakPolarHBondContact O-CB 3.4Å; E351-I355 VanDerWaalsContact O-CG1 3.23Å; E351-I355 WeakPolarHBondContact O-CG1 3.46Å; E351-I355 PolarHBondContact O-N 3.41Å; L352-I355 PolarHBondContact O-N 3.38Å; I355-F357 VanDerWaalsContact C-N 3.29Å; I355-F357 PolarHBondContact O-N 3.11Å; I355-K358 PolarHBondContact O-N 3.25Å; I355-K358 VanDerWaalsContact O-N 3.15Å; I355-I359 HydrophobicContact CG2-CD1 3.66Å; I355-I359 HydrophobicContact CG2-CG1 4.24Å; I355-I359 WeakPolarHBondContact O-CB 3.25Å; I355-I359 VanDerWaalsContact O-CG1 3.3Å; I355-I359 WeakPolarHBondContact O-CG1 3.3Å; I355-I359 PolarHBondContact O-N 3.46Å |
| 356 | C | 49 | Very low | 45.4 | Very low | 48 Ų | 48 | 86.9 Ų | 86.9 | 32% | 0.324 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | 174.6 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | V345 L352 Q353 I359 Y360 | V345-C356 HydrophobicContact CG2-CB 4.37Å; L352-C356 WeakPolarHBondContact O-CB 3.37Å; L352-C356 PolarHBondContact O-N 3.36Å; Q353-C356 PolarHBondContact O-N 3.11Å; C356-I359 PolarHBondContact O-N 3.41Å; C356-Y360 WeakPolarHBondContact O-CB 3.27Å; C356-Y360 PolarHBondContact O-N 2.86Å |
| 357 | F | 51.2 | Low | 45.4 | Very low | 82 Ų | 82 | 88.6 Ų | 88.6 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 175.2 | -164.1 | -99.5 | 0 | 0 | 0 | 112.9 | R338 Q353 I355 L361 | R338-F357 VanDerWaalsContact NH2-CD1 3.34Å; R338-F357 VanDerWaalsContact NH2-CE1 3.26Å; Q353-F357 WeakPolarHBondContact O-CB 3.45Å; Q353-F357 PolarHBondContact O-N 2.75Å; I355-F357 VanDerWaalsContact C-N 3.29Å; I355-F357 PolarHBondContact O-N 3.11Å; F357-L361 HydrophobicContact CD1-CD1 3.77Å; F357-L361 HydrophobicContact CE1-CD1 3.61Å; F357-L361 HydrophobicContact CE1-CG 4.37Å; F357-L361 HydrophobicContact CZ-CD1 4.49Å; F357-L361 WeakPolarHBondContact O-CG 3.34Å; F357-L361 PolarHBondContact O-N 3.1Å |
| 358 | K | 49.3 | Very low | 44.7 | Very low | 127 Ų | 127 | 89.9 Ų | 89.9 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.5 | -41.7 | 175 | -81.7 | -172.8 | 172.5 | -172.1 | 0 | 112.5 | H354 I355 Y360 L361 V362 | H354-K358 WeakPolarHBondContact O-CG 3.39Å; H354-K358 PolarHBondContact O-N 3.19Å; I355-K358 PolarHBondContact O-N 3.25Å; I355-K358 VanDerWaalsContact O-N 3.15Å; K358-Y360 VanDerWaalsContact C-N 3.32Å; K358-L361 PolarHBondContact O-N 3.24Å; K358-V362 VanDerWaalsContact O-CG2 3.27Å; K358-V362 WeakPolarHBondContact O-CG2 3.37Å; K358-V362 PolarHBondContact O-N 2.97Å |
| 359 | I | 49.9 | Very low | 44.6 | Very low | 90 Ų | 90 | 89.9 Ų | 89.9 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 176 | -67.7 | 171 | 0 | 0 | 0 | 109.8 | I355 C356 L361 V362 Y363 | I355-I359 HydrophobicContact CG2-CD1 3.66Å; I355-I359 HydrophobicContact CG2-CG1 4.24Å; I355-I359 WeakPolarHBondContact O-CB 3.25Å; I355-I359 VanDerWaalsContact O-CG1 3.3Å; I355-I359 WeakPolarHBondContact O-CG1 3.3Å; I355-I359 PolarHBondContact O-N 3.46Å; C356-I359 PolarHBondContact O-N 3.41Å; I359-L361 PolarHBondContact O-N 3.14Å; I359-V362 PolarHBondContact O-N 3.26Å; I359-Y363 HydrophobicContact CG2-CD2 3.74Å; I359-Y363 HydrophobicContact CG2-CE2 4.22Å; I359-Y363 WeakPolarHBondContact O-CB 3.32Å; I359-Y363 WeakPolarHBondContact O-CD2 3.26Å; I359-Y363 PolarHBondContact O-N 3.46Å |
| 360 | Y | 48.6 | Very low | 44.3 | Very low | 149 Ų | 149 | 99.7 Ų | 99.7 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -36.7 | 175.4 | -161.9 | -92.1 | 0 | 0 | 0 | 112.9 | L341 C356 K358 V362 G364 | L341-Y360 HydrophobicContact CD2-CD1 4.32Å; L341-Y360 HydrophobicContact CD2-CE1 3.88Å; C356-Y360 WeakPolarHBondContact O-CB 3.27Å; C356-Y360 PolarHBondContact O-N 2.86Å; K358-Y360 VanDerWaalsContact C-N 3.32Å; Y360-V362 VanDerWaalsContact C-N 3.31Å; Y360-V362 PolarHBondContact O-N 2.88Å; Y360-G364 VanDerWaalsContact O-CA 3.22Å; Y360-G364 WeakPolarHBondContact O-CA 3.48Å; Y360-G364 PolarHBondContact O-N 3.03Å |
| 361 | L | 48.5 | Very low | 44.2 | Very low | 112 Ų | 112 | 101 Ų | 101 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -31.6 | 173.6 | -81.7 | 166.5 | 0 | 0 | 0 | 113 | F357 K358 I359 | F357-L361 HydrophobicContact CD1-CD1 3.77Å; F357-L361 HydrophobicContact CE1-CD1 3.61Å; F357-L361 HydrophobicContact CE1-CG 4.37Å; F357-L361 HydrophobicContact CZ-CD1 4.49Å; F357-L361 WeakPolarHBondContact O-CG 3.34Å; F357-L361 PolarHBondContact O-N 3.1Å; K358-L361 PolarHBondContact O-N 3.24Å; I359-L361 PolarHBondContact O-N 3.14Å |
| 362 | V | 46.4 | Very low | 44.1 | Very low | 105 Ų | 105 | 100.7 Ų | 100.7 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -82.9 | -38.1 | -179.7 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | K358 I359 Y360 | K358-V362 VanDerWaalsContact O-CG2 3.27Å; K358-V362 WeakPolarHBondContact O-CG2 3.37Å; K358-V362 PolarHBondContact O-N 2.97Å; I359-V362 PolarHBondContact O-N 3.26Å; Y360-V362 VanDerWaalsContact C-N 3.31Å; Y360-V362 PolarHBondContact O-N 2.88Å |
| 363 | Y | 39.6 | Very low | 44 | Very low | 163 Ų | 163 | 102.6 Ų | 102.6 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -97.4 | -25.2 | -177.6 | -76.7 | -88.2 | 0 | 0 | 0 | 114.2 | I359 A365 A366 | I359-Y363 HydrophobicContact CG2-CD2 3.74Å; I359-Y363 HydrophobicContact CG2-CE2 4.22Å; I359-Y363 WeakPolarHBondContact O-CB 3.32Å; I359-Y363 WeakPolarHBondContact O-CD2 3.26Å; I359-Y363 PolarHBondContact O-N 3.46Å; Y363-A365 PolarHBondContact O-N 2.96Å; Y363-A366 WeakPolarHBondContact O-CB 3.47Å; Y363-A366 PolarHBondContact O-N 3.2Å; Y363-A366 VanDerWaalsContact O-N 3.07Å |
| 364 | G | 41.5 | Very low | 43.5 | Very low | 30 Ų | 30 | 104.2 Ų | 104.2 | 31% | 0.309 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -68.8 | -22.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y360 A366 | Y360-G364 VanDerWaalsContact O-CA 3.22Å; Y360-G364 WeakPolarHBondContact O-CA 3.48Å; Y360-G364 PolarHBondContact O-N 3.03Å; G364-A366 PolarHBondContact O-N 3.36Å |
| 365 | A | 39.6 | Very low | 43.4 | Very low | 68 Ų | 68 | 104.4 Ų | 104.4 | 56% | 0.562 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -72.9 | -15.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y363 | Y363-A365 PolarHBondContact O-N 2.96Š|
| 366 | A | 39.4 | Very low | 42.9 | Very low | 60 Ų | 60 | 107.5 Ų | 107.5 | 50% | 0.496 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -93.4 | -6.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y363 G364 | Y363-A366 WeakPolarHBondContact O-CB 3.47Å; Y363-A366 PolarHBondContact O-N 3.2Å; Y363-A366 VanDerWaalsContact O-N 3.07Å; G364-A366 PolarHBondContact O-N 3.36Å |
| 367 | V | 37.7 | Very low | 42.5 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 75% | 0.752 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -107.6 | 9.6 | -178.1 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 368 | T | 34.3 | Very low | 41.8 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 77% | 0.773 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -111.4 | 13 | 173.8 | 29.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 369 | S | 35.2 | Very low | 41.2 | Very low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | trans | -129.5 | 31.7 | 178.1 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 370 | L | 33.5 | Very low | 40.4 | Very low | 231 Ų | 231 | 115.1 Ų | 115.1 | 100% | 1.209 | 66% | 0.658 | S | S | * | * | trans | -130.7 | 0 | 166.2 | -104.2 | 155 | 0 | 0 | 0 | 110 |
Retrieved 370 of 370 residues in 262.9 ms
(Link to these results)