| 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 | N | 85.8 | Confident | 91.4 | Very high | 137 Ų | 137 | 95.6 Ų | 95.6 | 73% | 0.733 | 43% | 0.428 | S | S | * | . | 0 | -67.7 | 0 | -59.7 | -15.5 | 0 | 0 | 0 | 114.1 | W3 F5 P6 | N1-W3 PolarHBondContact O-N 3.2Å; N1-F5 WeakPolarHBondContact O-CB 3.26Å; N1-P6 WeakPolarHBondContact O-CD 3.29Å | |||
| 2 | V | 89.7 | Confident | 91.5 | Very high | 109 Ų | 109 | 88.2 Ų | 88.2 | 66% | 0.661 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -41 | -170.5 | -180 | 0 | 0 | 0 | 0 | 114.9 | P6 | V2-P6 WeakPolarHBondContact O-CD 3.43Å; V2-P6 WeakPolarHBondContact O-CG 3.43Å |
| 3 | W | 90.5 | Very high | 91.4 | Very high | 213 Ų | 213 | 82.1 Ų | 82.1 | 81% | 0.807 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -42 | -170.4 | 61.2 | -66 | 0 | 0 | 0 | 113 | N1 P6 Y7 | N1-W3 PolarHBondContact O-N 3.2Å; W3-P6 WeakPolarHBondContact O-CD 3.25Å; W3-Y7 WeakPolarHBondContact O-CB 3.29Å; W3-Y7 PolarHBondContact O-N 2.63Å; W3-Y7 VanDerWaalsContact O-N 3.13Å |
| 4 | R | 91.8 | Very high | 91.5 | Very high | 95 Ų | 95 | 76.4 Ų | 76.4 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 179.3 | -170 | -177.8 | 179.5 | -167.9 | 2.4 | 113.2 | Y7 L8 | R4-Y7 PolarHBondContact O-N 2.73Å; R4-L8 HydrophobicContact CG-CD1 4.02Å; R4-L8 HydrophobicContact CG-CG 4.38Å; R4-L8 WeakPolarHBondContact O-CG 3.23Å; R4-L8 PolarHBondContact O-N 3.32Å |
| 5 | F | 93.8 | Very high | 91.6 | Very high | 38 Ų | 38 | 72.2 Ų | 72.2 | 17% | 0.167 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -49.1 | -177.5 | 174.3 | -91.1 | 0 | 0 | 0 | 111.6 | N1 Y7 L8 C9 F17 L18 Y21 Y217 Q237 | N1-F5 WeakPolarHBondContact O-CB 3.26Å; F5-Y7 VanDerWaalsContact C-N 3.29Å; F5-Y7 PolarHBondContact O-N 3.18Å; F5-L8 PolarHBondContact O-N 3.49Å; F5-C9 VanDerWaalsContact O-CB 3.27Å; F5-C9 WeakPolarHBondContact O-CB 3.5Å; F5-C9 PolarHBondContact O-N 2.94Å; F5-F17 HydrophobicContact CE2-CE1 4.27Å; F5-L18 HydrophobicContact CE1-CD2 4.45Å; F5-L18 HydrophobicContact CZ-CD2 3.68Å; F5-Y21 HydrophobicContact CD2-CD2 4.3Å; F5-Y21 AromaticContact CD2-CE2 3.83Å; F5-Y21 HydrophobicContact CD2-CE2 3.83Å; F5-Y21 HydrophobicContact CE2-CD1 4.08Å; F5-Y21 AromaticContact CE2-CD2 3.73Å; F5-Y21 HydrophobicContact CE2-CD2 3.73Å; F5-Y21 AromaticContact CE2-CE1 3.92Å; F5-Y21 HydrophobicContact CE2-CE1 3.92Å; F5-Y21 AromaticContact CE2-CE2 3.53Å; F5-Y21 HydrophobicContact CE2-CE2 3.53Å; F5-Y21 AromaticContact CE2-CG 3.99Å; F5-Y21 HydrophobicContact CE2-CG 3.99Å; F5-Y21 AromaticContact CE2-CZ 3.64Å; F5-Y21 HydrophobicContact CZ-CE1 4.45Å; F5-Y217 WeakPolarHBondContact CE1-OH 3.31Å; F5-Q237 HydrophobicContact CD2-CG 4.04Å |
| 6 | P | 93.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 175.1 | -27.9 | 36.5 | 0 | 0 | 0 | 113.5 | N1 V2 W3 C9 Y10 Y217 | N1-P6 WeakPolarHBondContact O-CD 3.29Å; V2-P6 WeakPolarHBondContact O-CD 3.43Å; V2-P6 WeakPolarHBondContact O-CG 3.43Å; W3-P6 WeakPolarHBondContact O-CD 3.25Å; P6-C9 PolarHBondContact O-N 3.41Å; P6-Y10 WeakPolarHBondContact O-CB 3.47Å; P6-Y10 PolarHBondContact O-N 3Å; P6-Y217 HydrophobicContact CB-CE2 3.88Å; P6-Y217 WeakPolarHBondContact O-CE2 3.16Å |
| 7 | Y | 92.3 | Very high | 91.9 | Very high | 149 Ų | 149 | 63.8 Ų | 63.8 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.8 | -48.2 | 176.7 | 174.3 | -101.2 | 0 | 0 | 0 | 112.5 | W3 R4 F5 Y10 K11 | W3-Y7 WeakPolarHBondContact O-CB 3.29Å; W3-Y7 PolarHBondContact O-N 2.63Å; W3-Y7 VanDerWaalsContact O-N 3.13Å; R4-Y7 PolarHBondContact O-N 2.73Å; F5-Y7 VanDerWaalsContact C-N 3.29Å; F5-Y7 PolarHBondContact O-N 3.18Å; Y7-Y10 PolarHBondContact O-N 3.12Å; Y7-K11 HydrophobicContact CE1-CD 4.35Å; Y7-K11 WeakPolarHBondContact O-CB 3.46Å; Y7-K11 PolarHBondContact O-N 3.23Å |
| 8 | L | 92.6 | Very high | 92 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 178.6 | -72.2 | 177.7 | 0 | 0 | 0 | 112.1 | R4 F5 K11 N12 F17 D233 Q237 | R4-L8 HydrophobicContact CG-CD1 4.02Å; R4-L8 HydrophobicContact CG-CG 4.38Å; R4-L8 WeakPolarHBondContact O-CG 3.23Å; R4-L8 PolarHBondContact O-N 3.32Å; F5-L8 PolarHBondContact O-N 3.49Å; L8-K11 PolarHBondContact O-N 2.85Å; L8-N12 VanDerWaalsContact O-CB 3.24Å; L8-N12 WeakPolarHBondContact O-CB 3.36Å; L8-N12 PolarHBondContact O-N 3.38Å; L8-N12 PolarHBondContact O-ND2 3.33Å; L8-F17 HydrophobicContact CB-CE1 4.41Å; L8-F17 HydrophobicContact CB-CZ 4.25Å; L8-D233 HydrophobicContact CD2-CB 4.49Å; L8-Q237 HydrophobicContact CD1-CB 3.99Å; L8-Q237 HydrophobicContact CD1-CG 4.13Å |
| 9 | C | 92.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 176.5 | 176 | 0 | 0 | 0 | 0 | 110.5 | F5 P6 K11 N12 G14 F17 Y217 | F5-C9 VanDerWaalsContact O-CB 3.27Å; F5-C9 WeakPolarHBondContact O-CB 3.5Å; F5-C9 PolarHBondContact O-N 2.94Å; P6-C9 PolarHBondContact O-N 3.41Å; C9-K11 PolarHBondContact O-N 2.84Å; C9-N12 PolarHBondContact O-N 2.95Å; C9-G14 WeakPolarHBondContact O-CA 3.32Å; C9-G14 PolarHBondContact O-N 3.47Å; C9-G14 PolarHBondContact SG-O 3.45Å; C9-F17 HydrophobicContact CB-CD1 3.86Å; C9-Y217 HydrophobicContact CB-CE2 3.72Å |
| 10 | Y | 91.2 | Very high | 92.4 | Very high | 144 Ų | 144 | 61.7 Ų | 61.7 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.1 | -46.9 | 175.7 | 179.6 | -108.4 | 0 | 0 | 0 | 112.9 | P6 Y7 N12 A216 | P6-Y10 WeakPolarHBondContact O-CB 3.47Å; P6-Y10 PolarHBondContact O-N 3Å; Y7-Y10 PolarHBondContact O-N 3.12Å; Y10-N12 VanDerWaalsContact C-N 3.28Å; Y10-N12 PolarHBondContact O-N 3.37Å; Y10-A216 WeakPolarHBondContact CD2-O 3.33Å; Y10-A216 HydrophobicContact CE2-CB 4.16Å; Y10-A216 WeakPolarHBondContact CE2-O 3.32Å |
| 11 | K | 91.8 | Very high | 92.5 | Very high | 106 Ų | 106 | 61.1 Ų | 61.1 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -35.7 | -179.6 | -176.7 | -170.6 | 169.6 | -150.9 | 0 | 112.6 | Y7 L8 C9 D233 | Y7-K11 HydrophobicContact CE1-CD 4.35Å; Y7-K11 WeakPolarHBondContact O-CB 3.46Å; Y7-K11 PolarHBondContact O-N 3.23Å; L8-K11 PolarHBondContact O-N 2.85Å; C9-K11 PolarHBondContact O-N 2.84Å; K11-D233 IonicContact NZ-OD2 3.73Å |
| 12 | N | 93.1 | Very high | 93 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 35.2 | -168.2 | -66.8 | -30.1 | 0 | 0 | 0 | 113.7 | L8 C9 Y10 F17 V230 D233 | L8-N12 VanDerWaalsContact O-CB 3.24Å; L8-N12 WeakPolarHBondContact O-CB 3.36Å; L8-N12 PolarHBondContact O-N 3.38Å; L8-N12 PolarHBondContact O-ND2 3.33Å; C9-N12 PolarHBondContact O-N 2.95Å; Y10-N12 VanDerWaalsContact C-N 3.28Å; Y10-N12 PolarHBondContact O-N 3.37Å; N12-F17 HydrophobicContact CB-CB 4.37Å; N12-F17 HydrophobicContact CB-CD2 3.46Å; N12-F17 VanDerWaalsContact CB-CD2 3.46Å; N12-F17 HydrophobicContact CB-CE2 3.99Å; N12-F17 HydrophobicContact CB-CG 4.15Å; N12-V230 HydrophobicContact CB-CB 4.44Å; N12-V230 HydrophobicContact CB-CG1 4.15Å; N12-V230 HydrophobicContact CB-CG2 3.95Å; N12-D233 WeakPolarHBondContact ND2-CB 3.36Å; N12-D233 PolarHBondContact ND2-OD2 3.34Å; N12-D233 PolarHBondContact OD1-OD2 3.49Å |
| 13 | G | 89.8 | Confident | 93.3 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 23 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G15 A16 D221 | G13-G15 PolarHBondContact O-N 3.45Å; G13-A16 WeakPolarHBondContact O-CB 3.42Å; G13-A16 PolarHBondContact O-N 3.16Å; G13-A16 VanDerWaalsContact O-N 3.1Å; G13-D221 PolarHBondContact O-N 2.95Å |
| 14 | G | 92.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | 58.4 | -120.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | C9 A16 F17 Y217 H219 | C9-G14 WeakPolarHBondContact O-CA 3.32Å; C9-G14 PolarHBondContact O-N 3.47Å; C9-G14 PolarHBondContact SG-O 3.45Å; G14-A16 PolarHBondContact O-N 3.2Å; G14-A16 VanDerWaalsContact O-N 3.16Å; G14-F17 VanDerWaalsContact O-CB 3.31Å; G14-F17 WeakPolarHBondContact O-CB 3.37Å; G14-F17 PolarHBondContact O-N 2.9Å; G14-F17 VanDerWaalsContact O-N 3.12Å; G14-Y217 CarbonylContact C-O 3.19Å; G14-Y217 WeakPolarHBondContact CA-O 3.33Å; G14-H219 CarbonylContact C-O 3.59Å; G14-H219 WeakPolarHBondContact CA-O 3.48Å |
| 15 | G | 92.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -59.4 | -26.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | G13 F17 L18 H219 | G13-G15 PolarHBondContact O-N 3.45Å; G15-F17 VanDerWaalsContact C-N 3.26Å; G15-F17 PolarHBondContact O-N 3.35Å; G15-L18 WeakPolarHBondContact O-CB 3.45Å; G15-L18 WeakPolarHBondContact O-CG 3.26Å; G15-L18 PolarHBondContact O-N 2.86Å; G15-H219 PolarHBondContact N-O 3.28Å |
| 16 | A | 94 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -63.5 | -32 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G13 G14 L18 I19 P20 I220 D221 L225 | G13-A16 WeakPolarHBondContact O-CB 3.42Å; G13-A16 PolarHBondContact O-N 3.16Å; G13-A16 VanDerWaalsContact O-N 3.1Å; G14-A16 PolarHBondContact O-N 3.2Å; G14-A16 VanDerWaalsContact O-N 3.16Å; A16-L18 PolarHBondContact O-N 3.27Å; A16-L18 VanDerWaalsContact O-N 3.13Å; A16-I19 WeakPolarHBondContact O-CB 3.27Å; A16-I19 PolarHBondContact O-N 3.01Å; A16-I19 VanDerWaalsContact O-N 3.11Å; A16-P20 VanDerWaalsContact O-CD 3.31Å; A16-P20 WeakPolarHBondContact O-CD 3.42Å; A16-I220 HydrophobicContact CB-CG2 4.11Å; A16-D221 WeakPolarHBondContact CB-O 3.4Å; A16-L225 HydrophobicContact CB-CD1 4.34Å; A16-L225 HydrophobicContact CB-CD2 4.26Å; A16-L225 HydrophobicContact CB-CG 4.16Å |
| 17 | F | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -59.7 | -24 | 178.6 | -177.2 | -107.1 | 0 | 0 | 0 | 113.3 | F5 L8 C9 N12 G14 G15 I19 P20 Y21 V230 D233 A234 | F5-F17 HydrophobicContact CE2-CE1 4.27Å; L8-F17 HydrophobicContact CB-CE1 4.41Å; L8-F17 HydrophobicContact CB-CZ 4.25Å; C9-F17 HydrophobicContact CB-CD1 3.86Å; N12-F17 HydrophobicContact CB-CB 4.37Å; N12-F17 HydrophobicContact CB-CD2 3.46Å; N12-F17 VanDerWaalsContact CB-CD2 3.46Å; N12-F17 HydrophobicContact CB-CE2 3.99Å; N12-F17 HydrophobicContact CB-CG 4.15Å; G14-F17 VanDerWaalsContact O-CB 3.31Å; G14-F17 WeakPolarHBondContact O-CB 3.37Å; G14-F17 PolarHBondContact O-N 2.9Å; G14-F17 VanDerWaalsContact O-N 3.12Å; G15-F17 VanDerWaalsContact C-N 3.26Å; G15-F17 PolarHBondContact O-N 3.35Å; F17-I19 PolarHBondContact O-N 3.05Å; F17-P20 VanDerWaalsContact O-CD 3.24Å; F17-P20 WeakPolarHBondContact O-CD 3.48Å; F17-P20 VanDerWaalsContact O-CG 3.32Å; F17-P20 WeakPolarHBondContact O-CG 3.42Å; F17-Y21 HydrophobicContact CE1-CD2 4.26Å; F17-Y21 VanDerWaalsContact O-CB 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.46Å; F17-Y21 PolarHBondContact O-N 3.35Å; F17-Y21 VanDerWaalsContact O-N 3.16Å; F17-V230 HydrophobicContact CD2-CG1 4.05Å; F17-D233 HydrophobicContact CE2-CB 4.24Å; F17-A234 HydrophobicContact CD2-CB 4.42Å; F17-A234 HydrophobicContact CE2-CB 3.67Å; F17-A234 HydrophobicContact CZ-CB 3.92Å |
| 18 | L | 94.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -26.1 | 178.4 | -60.5 | 178.7 | 0 | 0 | 0 | 112.5 | F5 G15 A16 T22 | F5-L18 HydrophobicContact CE1-CD2 4.45Å; F5-L18 HydrophobicContact CZ-CD2 3.68Å; G15-L18 WeakPolarHBondContact O-CB 3.45Å; G15-L18 WeakPolarHBondContact O-CG 3.26Å; G15-L18 PolarHBondContact O-N 2.86Å; A16-L18 PolarHBondContact O-N 3.27Å; A16-L18 VanDerWaalsContact O-N 3.13Å; L18-T22 WeakPolarHBondContact O-CB 3.26Å; L18-T22 VanDerWaalsContact O-CG2 3.26Å; L18-T22 WeakPolarHBondContact O-CG2 3.42Å; L18-T22 PolarHBondContact O-N 3.27Å; L18-T22 PolarHBondContact O-OG1 3.4Å |
| 19 | I | 95.1 | Very high | 94.3 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 43% | 0.431 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -61.2 | 178.5 | -60.8 | 168.7 | 0 | 0 | 0 | 111.2 | A16 F17 Y21 T22 L23 F222 L225 | A16-I19 WeakPolarHBondContact O-CB 3.27Å; A16-I19 PolarHBondContact O-N 3.01Å; A16-I19 VanDerWaalsContact O-N 3.11Å; F17-I19 PolarHBondContact O-N 3.05Å; I19-Y21 VanDerWaalsContact C-N 3.26Å; I19-Y21 PolarHBondContact O-N 3.25Å; I19-T22 PolarHBondContact O-N 3.46Å; I19-T22 PolarHBondContact O-OG1 3.3Å; I19-L23 PolarHBondContact O-N 3.06Å; I19-F222 HydrophobicContact CD1-CE1 3.97Å; I19-L225 HydrophobicContact CD1-CD1 4.11Å |
| 20 | P | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 177.4 | 25.3 | -34.6 | 0 | 0 | 0 | 111.9 | A16 F17 L23 F24 L225 V230 W231 A234 | A16-P20 VanDerWaalsContact O-CD 3.31Å; A16-P20 WeakPolarHBondContact O-CD 3.42Å; F17-P20 VanDerWaalsContact O-CD 3.24Å; F17-P20 WeakPolarHBondContact O-CD 3.48Å; F17-P20 VanDerWaalsContact O-CG 3.32Å; F17-P20 WeakPolarHBondContact O-CG 3.42Å; P20-L23 PolarHBondContact O-N 3.14Å; P20-F24 WeakPolarHBondContact O-CD2 3.45Å; P20-F24 PolarHBondContact O-N 3.5Å; P20-L225 HydrophobicContact CG-CD2 4.02Å; P20-V230 HydrophobicContact CG-CG1 4.08Å; P20-W231 HydrophobicContact CB-CD2 3.89Å; P20-W231 HydrophobicContact CB-CE3 3.53Å; P20-W231 HydrophobicContact CB-CH2 4.08Å; P20-W231 HydrophobicContact CB-CZ2 4.41Å; P20-W231 HydrophobicContact CB-CZ3 3.63Å; P20-A234 HydrophobicContact CB-CB 3.86Å; P20-A234 HydrophobicContact CG-CB 4.13Å |
| 21 | Y | 95.3 | Very high | 94.7 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.5 | 179.3 | -93.6 | 0 | 0 | 0 | 112.4 | F5 F17 I19 L23 F24 L25 Q237 I238 | F5-Y21 HydrophobicContact CD2-CD2 4.3Å; F5-Y21 AromaticContact CD2-CE2 3.83Å; F5-Y21 HydrophobicContact CD2-CE2 3.83Å; F5-Y21 HydrophobicContact CE2-CD1 4.08Å; F5-Y21 AromaticContact CE2-CD2 3.73Å; F5-Y21 HydrophobicContact CE2-CD2 3.73Å; F5-Y21 AromaticContact CE2-CE1 3.92Å; F5-Y21 HydrophobicContact CE2-CE1 3.92Å; F5-Y21 AromaticContact CE2-CE2 3.53Å; F5-Y21 HydrophobicContact CE2-CE2 3.53Å; F5-Y21 AromaticContact CE2-CG 3.99Å; F5-Y21 HydrophobicContact CE2-CG 3.99Å; F5-Y21 AromaticContact CE2-CZ 3.64Å; F5-Y21 HydrophobicContact CZ-CE1 4.45Å; F17-Y21 HydrophobicContact CE1-CD2 4.26Å; F17-Y21 VanDerWaalsContact O-CB 3.25Å; F17-Y21 WeakPolarHBondContact O-CB 3.46Å; F17-Y21 PolarHBondContact O-N 3.35Å; F17-Y21 VanDerWaalsContact O-N 3.16Å; I19-Y21 VanDerWaalsContact C-N 3.26Å; I19-Y21 PolarHBondContact O-N 3.25Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.28Å; Y21-F24 PolarHBondContact O-N 3.48Å; Y21-L25 WeakPolarHBondContact O-CB 3.34Å; Y21-L25 PolarHBondContact O-N 3.02Å; Y21-Q237 HydrophobicContact CD2-CG 4.47Å; Y21-Q237 HydrophobicContact CE2-CG 4.03Å; Y21-I238 HydrophobicContact CD1-CD1 4.2Å; Y21-I238 HydrophobicContact CD2-CD1 3.56Å; Y21-I238 HydrophobicContact CD2-CG1 3.83Å; Y21-I238 HydrophobicContact CE1-CD1 3.86Å; Y21-I238 HydrophobicContact CE2-CD1 3.17Å; Y21-I238 HydrophobicContact CE2-CG1 3.81Å; Y21-I238 HydrophobicContact CG-CD1 4.06Å; Y21-I238 HydrophobicContact CG-CG1 4.49Å |
| 22 | T | 95.8 | Very high | 94.9 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 178.2 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | L18 I19 L25 I26 | L18-T22 WeakPolarHBondContact O-CB 3.26Å; L18-T22 VanDerWaalsContact O-CG2 3.26Å; L18-T22 WeakPolarHBondContact O-CG2 3.42Å; L18-T22 PolarHBondContact O-N 3.27Å; L18-T22 PolarHBondContact O-OG1 3.4Å; I19-T22 PolarHBondContact O-N 3.46Å; I19-T22 PolarHBondContact O-OG1 3.3Å; T22-L25 WeakPolarHBondContact O-CB 3.47Å; T22-L25 PolarHBondContact O-N 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.33Å; T22-I26 PolarHBondContact O-N 3.27Å; T22-I26 VanDerWaalsContact O-N 3.09Å |
| 23 | L | 96.5 | Very high | 95 | Very high | 78 Ų | 78 | 53 Ų | 53 | 41% | 0.408 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -51.7 | 174.3 | -171.4 | 75.7 | 0 | 0 | 0 | 111.7 | I19 P20 Y21 L25 I26 I27 W231 | I19-L23 PolarHBondContact O-N 3.06Å; P20-L23 PolarHBondContact O-N 3.14Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.28Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 3.38Å; L23-I26 PolarHBondContact O-N 3.24Å; L23-I27 HydrophobicContact CD1-CD1 3.64Å; L23-I27 HydrophobicContact CD1-CG1 4.42Å; L23-I27 HydrophobicContact CD2-CD1 4.39Å; L23-I27 HydrophobicContact CG-CD1 3.76Å; L23-I27 WeakPolarHBondContact O-CB 3.37Å; L23-I27 WeakPolarHBondContact O-CG1 3.29Å; L23-I27 PolarHBondContact O-N 3.05Å; L23-W231 HydrophobicContact CD2-CH2 4.32Å; L23-W231 HydrophobicContact CD2-CZ3 3.69Å |
| 24 | F | 96.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.8 | -32 | 178.5 | -78.3 | -61.3 | 0 | 0 | 0 | 112.7 | P20 Y21 I26 A28 G29 W231 A234 A235 I238 | P20-F24 WeakPolarHBondContact O-CD2 3.45Å; P20-F24 PolarHBondContact O-N 3.5Å; Y21-F24 PolarHBondContact O-N 3.48Å; F24-I26 VanDerWaalsContact C-N 3.31Å; F24-I26 PolarHBondContact O-N 3.43Å; F24-A28 WeakPolarHBondContact O-CA 3.34Å; F24-A28 WeakPolarHBondContact O-CB 3.49Å; F24-A28 PolarHBondContact O-N 3.24Å; F24-G29 PolarHBondContact O-N 3.09Å; F24-W231 HydrophobicContact CE2-CB 4.28Å; F24-W231 AromaticContact CE2-CE3 3.75Å; F24-W231 HydrophobicContact CE2-CE3 3.75Å; F24-W231 VanDerWaalsContact CE2-O 3.31Å; F24-W231 WeakPolarHBondContact CE2-O 3.47Å; F24-W231 HydrophobicContact CZ-CE3 4.21Å; F24-A234 HydrophobicContact CD2-CB 4.07Å; F24-A234 HydrophobicContact CE2-CB 4.46Å; F24-A235 HydrophobicContact CD1-CB 4.17Å; F24-A235 HydrophobicContact CD2-CB 3.93Å; F24-A235 HydrophobicContact CE1-CB 4.12Å; F24-A235 HydrophobicContact CE2-CB 3.87Å; F24-A235 HydrophobicContact CG-CB 4.09Å; F24-A235 HydrophobicContact CZ-CB 3.98Å; F24-I238 HydrophobicContact CB-CG1 4.11Å |
| 25 | L | 95.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -57.5 | -46 | 171.5 | -179.6 | 63.3 | 0 | 0 | 0 | 111.1 | Y21 T22 L23 G29 M30 I238 | Y21-L25 WeakPolarHBondContact O-CB 3.34Å; Y21-L25 PolarHBondContact O-N 3.02Å; T22-L25 WeakPolarHBondContact O-CB 3.47Å; T22-L25 PolarHBondContact O-N 3.23Å; L23-L25 VanDerWaalsContact C-N 3.31Å; L23-L25 PolarHBondContact O-N 3.38Å; L25-G29 PolarHBondContact O-N 3.45Å; L25-M30 HydrophobicContact CD1-CG 4.34Å; L25-M30 HydrophobicContact CG-CG 4.42Å; L25-M30 WeakPolarHBondContact O-CG 3.23Å; L25-M30 PolarHBondContact O-N 3.14Å; L25-I238 HydrophobicContact CB-CD1 3.74Å; L25-I238 HydrophobicContact CD1-CD1 4.04Å; L25-I238 HydrophobicContact CG-CD1 4.43Å |
| 26 | I | 96.8 | Very high | 95.5 | Very high | 104 Ų | 104 | 72.3 Ų | 72.3 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -75.7 | -44.1 | -177 | -62 | 169.3 | 0 | 0 | 0 | 112 | T22 L23 F24 M30 P31 | T22-I26 WeakPolarHBondContact O-CG1 3.33Å; T22-I26 PolarHBondContact O-N 3.27Å; T22-I26 VanDerWaalsContact O-N 3.09Å; L23-I26 PolarHBondContact O-N 3.24Å; F24-I26 VanDerWaalsContact C-N 3.31Å; F24-I26 PolarHBondContact O-N 3.43Å; I26-M30 HydrophobicContact CB-CE 3.9Å; I26-M30 HydrophobicContact CG1-CE 3.58Å; I26-M30 HydrophobicContact CG2-CE 4.07Å; I26-P31 VanDerWaalsContact O-CD 3.28Å; I26-P31 WeakPolarHBondContact O-CD 3.37Å |
| 27 | I | 95.9 | Very high | 95.5 | Very high | 114 Ų | 114 | 76.8 Ų | 76.8 | 59% | 0.585 | 39% | 0.385 | S | S | * | . | I | π-helix | trans | -81.9 | -34.2 | -172.2 | -63.7 | -179.3 | 0 | 0 | 0 | 112.4 | L23 P31 | L23-I27 HydrophobicContact CD1-CD1 3.64Å; L23-I27 HydrophobicContact CD1-CG1 4.42Å; L23-I27 HydrophobicContact CD2-CD1 4.39Å; L23-I27 HydrophobicContact CG-CD1 3.76Å; L23-I27 WeakPolarHBondContact O-CB 3.37Å; L23-I27 WeakPolarHBondContact O-CG1 3.29Å; L23-I27 PolarHBondContact O-N 3.05Å; I27-P31 WeakPolarHBondContact O-CG 3.34Å |
| 28 | A | 94.5 | Very high | 95.6 | Very high | 19 Ų | 19 | 78.6 Ų | 78.6 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -120.8 | -50.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F24 P31 L32 F239 | F24-A28 WeakPolarHBondContact O-CA 3.34Å; F24-A28 WeakPolarHBondContact O-CB 3.49Å; F24-A28 PolarHBondContact O-N 3.24Å; A28-P31 WeakPolarHBondContact O-CD 3.35Å; A28-L32 WeakPolarHBondContact O-CB 3.43Å; A28-L32 VanDerWaalsContact O-CG 3.24Å; A28-L32 WeakPolarHBondContact O-CG 3.49Å; A28-L32 PolarHBondContact O-N 2.95Å; A28-L32 VanDerWaalsContact O-N 3.1Å; A28-F239 HydrophobicContact CB-CE2 4.42Å; A28-F239 HydrophobicContact CB-CZ 4.31Å |
| 29 | G | 95.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 78.7 Ų | 78.7 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -60.8 | -57.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F24 L25 F33 | F24-G29 PolarHBondContact O-N 3.09Å; L25-G29 PolarHBondContact O-N 3.45Å; G29-F33 VanDerWaalsContact O-CB 3.24Å; G29-F33 WeakPolarHBondContact O-CB 3.44Å; G29-F33 PolarHBondContact O-N 3.29Å |
| 30 | M | 95.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 76.2 Ų | 76.2 | 48% | 0.478 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | -179.1 | -73 | -166.2 | -70.2 | 0 | 0 | 112.8 | L25 I26 L32 Y34 | L25-M30 HydrophobicContact CD1-CG 4.34Å; L25-M30 HydrophobicContact CG-CG 4.42Å; L25-M30 WeakPolarHBondContact O-CG 3.23Å; L25-M30 PolarHBondContact O-N 3.14Å; I26-M30 HydrophobicContact CB-CE 3.9Å; I26-M30 HydrophobicContact CG1-CE 3.58Å; I26-M30 HydrophobicContact CG2-CE 4.07Å; M30-L32 PolarHBondContact O-N 3.35Å; M30-Y34 VanDerWaalsContact O-CB 3.27Å; M30-Y34 WeakPolarHBondContact O-CB 3.38Å; M30-Y34 PolarHBondContact O-N 3.21Å |
| 31 | P | 97.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 83.7 Ų | 83.7 | 42% | 0.416 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.6 | -27.7 | 38.3 | 0 | 0 | 0 | 113.5 | I26 I27 A28 Y34 M35 | I26-P31 VanDerWaalsContact O-CD 3.28Å; I26-P31 WeakPolarHBondContact O-CD 3.37Å; I27-P31 WeakPolarHBondContact O-CG 3.34Å; A28-P31 WeakPolarHBondContact O-CD 3.35Å; P31-Y34 PolarHBondContact O-N 2.87Å; P31-M35 WeakPolarHBondContact O-CB 3.42Å; P31-M35 PolarHBondContact O-N 2.97Å |
| 32 | L | 95.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 89.6 Ų | 89.6 | 39% | 0.387 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 179.9 | -70.7 | 174.4 | 0 | 0 | 0 | 111.8 | A28 M30 Y34 M35 E36 F239 | A28-L32 WeakPolarHBondContact O-CB 3.43Å; A28-L32 VanDerWaalsContact O-CG 3.24Å; A28-L32 WeakPolarHBondContact O-CG 3.49Å; A28-L32 PolarHBondContact O-N 2.95Å; A28-L32 VanDerWaalsContact O-N 3.1Å; M30-L32 PolarHBondContact O-N 3.35Å; L32-Y34 PolarHBondContact O-N 3.21Å; L32-M35 HydrophobicContact CD2-CE 3.86Å; L32-M35 PolarHBondContact O-N 2.96Å; L32-E36 PolarHBondContact O-N 3.48Å; L32-F239 HydrophobicContact CD1-CD1 4.39Å; L32-F239 HydrophobicContact CD1-CE1 3.28Å; L32-F239 HydrophobicContact CD1-CZ 3.58Å |
| 33 | F | 95.2 | Very high | 95.3 | Very high | 136 Ų | 136 | 88.8 Ų | 88.8 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 176.2 | -178.6 | -104.8 | 0 | 0 | 0 | 111.6 | G29 E36 L37 | G29-F33 VanDerWaalsContact O-CB 3.24Å; G29-F33 WeakPolarHBondContact O-CB 3.44Å; G29-F33 PolarHBondContact O-N 3.29Å; F33-E36 PolarHBondContact O-N 3.43Å; F33-L37 HydrophobicContact CD1-CD1 3.8Å; F33-L37 HydrophobicContact CE1-CD1 3.29Å; F33-L37 HydrophobicContact CE1-CG 4.24Å; F33-L37 HydrophobicContact CE2-CD1 4.36Å; F33-L37 HydrophobicContact CZ-CD1 3.61Å; F33-L37 HydrophobicContact CZ-CG 4.24Å; F33-L37 WeakPolarHBondContact O-CG 3.36Å; F33-L37 PolarHBondContact O-N 2.98Å; F33-L37 VanDerWaalsContact O-N 3.09Å |
| 34 | Y | 96.5 | Very high | 95.1 | Very high | 171 Ų | 171 | 95.8 Ų | 95.8 | 67% | 0.671 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 178.1 | -178.6 | -102.7 | 0 | 0 | 0 | 112.2 | M30 P31 L32 E36 L37 A38 | M30-Y34 VanDerWaalsContact O-CB 3.27Å; M30-Y34 WeakPolarHBondContact O-CB 3.38Å; M30-Y34 PolarHBondContact O-N 3.21Å; P31-Y34 PolarHBondContact O-N 2.87Å; L32-Y34 PolarHBondContact O-N 3.21Å; Y34-E36 PolarHBondContact O-N 3.3Å; Y34-L37 PolarHBondContact O-N 3.35Å; Y34-A38 HydrophobicContact CE1-CB 4.49Å; Y34-A38 VanDerWaalsContact O-CB 3.29Å; Y34-A38 WeakPolarHBondContact O-CB 3.47Å; Y34-A38 PolarHBondContact O-N 3.17Å |
| 35 | M | 95.3 | Very high | 94.9 | Very high | 118 Ų | 118 | 96.9 Ų | 96.9 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59 | -46 | 177 | -179.8 | -172.2 | 68.6 | 0 | 0 | 111.4 | P31 L32 A38 L39 | P31-M35 WeakPolarHBondContact O-CB 3.42Å; P31-M35 PolarHBondContact O-N 2.97Å; L32-M35 HydrophobicContact CD2-CE 3.86Å; L32-M35 PolarHBondContact O-N 2.96Å; M35-A38 PolarHBondContact O-N 2.92Å; M35-L39 VanDerWaalsContact O-CB 3.25Å; M35-L39 WeakPolarHBondContact O-CB 3.21Å; M35-L39 PolarHBondContact O-N 3.07Å |
| 36 | E | 93.6 | Very high | 94.5 | Very high | 141 Ų | 141 | 95.8 Ų | 95.8 | 66% | 0.659 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 179 | -174 | 173.3 | -178.4 | 0 | 0 | 111.8 | L32 F33 Y34 L39 G40 | L32-E36 PolarHBondContact O-N 3.48Å; F33-E36 PolarHBondContact O-N 3.43Å; Y34-E36 PolarHBondContact O-N 3.3Å; E36-L39 PolarHBondContact O-N 3.43Å; E36-G40 PolarHBondContact O-N 3.38Å |
| 37 | L | 94.8 | Very high | 94.1 | Very high | 95 Ų | 95 | 93.4 Ų | 93.4 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 175.3 | -73.1 | 179.5 | 0 | 0 | 0 | 112.2 | F33 Y34 L39 G40 Q41 | F33-L37 HydrophobicContact CD1-CD1 3.8Å; F33-L37 HydrophobicContact CE1-CD1 3.29Å; F33-L37 HydrophobicContact CE1-CG 4.24Å; F33-L37 HydrophobicContact CE2-CD1 4.36Å; F33-L37 HydrophobicContact CZ-CD1 3.61Å; F33-L37 HydrophobicContact CZ-CG 4.24Å; F33-L37 WeakPolarHBondContact O-CG 3.36Å; F33-L37 PolarHBondContact O-N 2.98Å; F33-L37 VanDerWaalsContact O-N 3.09Å; Y34-L37 PolarHBondContact O-N 3.35Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.09Å; L37-G40 PolarHBondContact O-N 3.06Å; L37-Q41 VanDerWaalsContact O-CB 3.3Å; L37-Q41 WeakPolarHBondContact O-CB 3.36Å; L37-Q41 PolarHBondContact O-N 3.29Å |
| 38 | A | 95.8 | Very high | 93.8 | Very high | 37 Ų | 37 | 88.8 Ų | 88.8 | 31% | 0.306 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y34 M35 Q41 F42 | Y34-A38 HydrophobicContact CE1-CB 4.49Å; Y34-A38 VanDerWaalsContact O-CB 3.29Å; Y34-A38 WeakPolarHBondContact O-CB 3.47Å; Y34-A38 PolarHBondContact O-N 3.17Å; M35-A38 PolarHBondContact O-N 2.92Å; A38-Q41 PolarHBondContact O-N 2.94Å; A38-F42 WeakPolarHBondContact O-CB 3.43Å; A38-F42 PolarHBondContact O-N 2.71Å |
| 39 | L | 93.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 90.7 Ų | 90.7 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -46.4 | 176.7 | -173.4 | 72.8 | 0 | 0 | 0 | 111.7 | M35 E36 L37 N43 V50 I53 | M35-L39 VanDerWaalsContact O-CB 3.25Å; M35-L39 WeakPolarHBondContact O-CB 3.21Å; M35-L39 PolarHBondContact O-N 3.07Å; E36-L39 PolarHBondContact O-N 3.43Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.09Å; L39-N43 WeakPolarHBondContact CD1-ND2 3.47Å; L39-N43 WeakPolarHBondContact O-CB 3.25Å; L39-N43 PolarHBondContact O-N 3.48Å; L39-N43 VanDerWaalsContact O-N 3.1Å; L39-N43 PolarHBondContact O-ND2 2.95Å; L39-V50 HydrophobicContact CD1-CG2 4.46Å; L39-V50 HydrophobicContact CD2-CG2 4.05Å; L39-V50 HydrophobicContact CG-CG2 3.94Å; L39-I53 HydrophobicContact CD1-CD1 3.59Å |
| 40 | G | 93.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 90.7 Ų | 90.7 | 34% | 0.34 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E36 L37 R44 | E36-G40 PolarHBondContact O-N 3.38Å; L37-G40 PolarHBondContact O-N 3.06Å; G40-R44 WeakPolarHBondContact O-CA 3.38Å; G40-R44 PolarHBondContact O-N 2.97Å |
| 41 | Q | 95 | Very high | 93.5 | Very high | 156 Ų | 156 | 89.4 Ų | 89.4 | 73% | 0.729 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 179.2 | -176.3 | 178.2 | -7.9 | 0 | 0 | 112.5 | L37 A38 R44 | L37-Q41 VanDerWaalsContact O-CB 3.3Å; L37-Q41 WeakPolarHBondContact O-CB 3.36Å; L37-Q41 PolarHBondContact O-N 3.29Å; A38-Q41 PolarHBondContact O-N 2.94Å; Q41-R44 WeakPolarHBondContact O-CG 3.41Å |
| 42 | F | 95.1 | Very high | 93 | Very high | 175 Ų | 175 | 93.2 Ų | 93.2 | 77% | 0.768 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.6 | -47.4 | -179.3 | -178.1 | -98.4 | 0 | 0 | 0 | 111.8 | A38 | A38-F42 WeakPolarHBondContact O-CB 3.43Å; A38-F42 PolarHBondContact O-N 2.71Å |
| 43 | N | 93.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 94.8 Ų | 94.8 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -84 | -25.8 | -175.9 | -66.4 | -77.3 | 0 | 0 | 0 | 113.5 | L39 E45 V50 | L39-N43 WeakPolarHBondContact CD1-ND2 3.47Å; L39-N43 WeakPolarHBondContact O-CB 3.25Å; L39-N43 PolarHBondContact O-N 3.48Å; L39-N43 VanDerWaalsContact O-N 3.1Å; L39-N43 PolarHBondContact O-ND2 2.95Å; N43-E45 HydrophobicContact CB-CB 4.35Å; N43-E45 WeakPolarHBondContact O-CG 3.28Å; N43-E45 PolarHBondContact O-N 3.36Å; N43-V50 HydrophobicContact CB-CG2 4.07Å |
| 44 | R | 93 | Very high | 92.7 | Very high | 224 Ų | 224 | 90.4 Ų | 90.4 | 85% | 0.845 | 46% | 0.457 | S | S | * | . | trans | 53.9 | 35.1 | -176.8 | -55.6 | -178.3 | 179.1 | 173.8 | -0.6 | 113.7 | G40 Q41 | G40-R44 WeakPolarHBondContact O-CA 3.38Å; G40-R44 PolarHBondContact O-N 2.97Å; Q41-R44 WeakPolarHBondContact O-CG 3.41Å | ||
| 45 | E | 90.9 | Very high | 92.5 | Very high | 79 Ų | 79 | 86.9 Ų | 86.9 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | trans | -120.4 | 158.6 | -175.4 | -76.1 | -82 | -157.6 | 0 | 0 | 109.9 | N43 T49 V50 K52 | N43-E45 HydrophobicContact CB-CB 4.35Å; N43-E45 WeakPolarHBondContact O-CG 3.28Å; N43-E45 PolarHBondContact O-N 3.36Å; E45-T49 WeakPolarHBondContact CB-OG1 3.5Å; E45-T49 VanDerWaalsContact OE2-CB 3.23Å; E45-T49 WeakPolarHBondContact OE2-CB 3.46Å; E45-T49 PolarHBondContact OE2-OG1 3.28Å; E45-V50 HydrophobicContact CB-CB 4.4Å; E45-K52 IonicContact OE1-NZ 3.63Å; E45-K52 PolarHBondContact OE1-NZ 3.27Å | ||
| 46 | G | 88.9 | Confident | 92.4 | Very high | 42 Ų | 42 | 89.7 Ų | 89.7 | 43% | 0.433 | 46% | 0.464 | S | S | . | . | trans | -76.6 | 169.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A48 T49 V50 | G46-A48 PolarHBondContact O-N 3Å; G46-A48 VanDerWaalsContact O-N 3.09Å; G46-T49 PolarHBondContact N-OG1 2.96Å; G46-T49 PolarHBondContact O-N 3.3Å; G46-T49 PolarHBondContact O-OG1 3.46Å; G46-V50 PolarHBondContact O-N 3.11Å | ||
| 47 | A | 88.4 | Confident | 92.4 | Very high | 54 Ų | 54 | 87.6 Ų | 87.6 | 45% | 0.446 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W51 G61 | A47-W51 PolarHBondContact O-NE1 3.1Å; A47-W51 VanDerWaalsContact O-NE1 3.14Å; A47-G61 VanDerWaalsContact O-CA 3.26Å; A47-G61 WeakPolarHBondContact O-CA 3.25Å |
| 48 | A | 89.4 | Confident | 92.3 | Very high | 16 Ų | 16 | 88.1 Ų | 88.1 | 13% | 0.132 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -32.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | G46 Y62 I65 | G46-A48 PolarHBondContact O-N 3Å; G46-A48 VanDerWaalsContact O-N 3.09Å; A48-Y62 HydrophobicContact CB-CD1 4.43Å; A48-Y62 HydrophobicContact CB-CE1 4.26Å; A48-I65 HydrophobicContact CB-CD1 3.97Å |
| 49 | T | 91.4 | Very high | 92.3 | Very high | 59 Ų | 59 | 88.7 Ų | 88.7 | 36% | 0.362 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -20.8 | -174.1 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | E45 G46 W51 K52 | E45-T49 WeakPolarHBondContact CB-OG1 3.5Å; E45-T49 VanDerWaalsContact OE2-CB 3.23Å; E45-T49 WeakPolarHBondContact OE2-CB 3.46Å; E45-T49 PolarHBondContact OE2-OG1 3.28Å; G46-T49 PolarHBondContact N-OG1 2.96Å; G46-T49 PolarHBondContact O-N 3.3Å; G46-T49 PolarHBondContact O-OG1 3.46Å; T49-W51 PolarHBondContact O-N 3.26Å; T49-K52 VanDerWaalsContact O-CG 3.29Å; T49-K52 WeakPolarHBondContact O-CG 3.48Å; T49-K52 PolarHBondContact O-N 3.14Å |
| 50 | V | 93.4 | Very high | 92.3 | Very high | 15 Ų | 15 | 88.5 Ų | 88.5 | 9% | 0.091 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -60.4 | -26.5 | 176.6 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | L39 N43 E45 G46 K52 I53 | L39-V50 HydrophobicContact CD1-CG2 4.46Å; L39-V50 HydrophobicContact CD2-CG2 4.05Å; L39-V50 HydrophobicContact CG-CG2 3.94Å; N43-V50 HydrophobicContact CB-CG2 4.07Å; E45-V50 HydrophobicContact CB-CB 4.4Å; G46-V50 PolarHBondContact O-N 3.11Å; V50-K52 PolarHBondContact O-N 3.04Å; V50-I53 HydrophobicContact CG2-CD1 4.27Å; V50-I53 WeakPolarHBondContact O-CG1 3.31Å; V50-I53 PolarHBondContact O-N 3.34Å |
| 51 | W | 92.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 86.9 Ų | 86.9 | 27% | 0.265 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -70.8 | 8.6 | 179.2 | -62.2 | 103.5 | 0 | 0 | 0 | 114.7 | A47 T49 I53 C54 F57 K58 V60 | A47-W51 PolarHBondContact O-NE1 3.1Å; A47-W51 VanDerWaalsContact O-NE1 3.14Å; T49-W51 PolarHBondContact O-N 3.26Å; W51-I53 PolarHBondContact O-N 3.38Å; W51-C54 CarbonylContact O-C 3.04Å; W51-C54 PolarHBondContact O-N 3.01Å; W51-C54 VanDerWaalsContact O-N 3.09Å; W51-C54 VanDerWaalsContact O-O 3.08Å; W51-F57 HydrophobicContact CD2-CB 4.09Å; W51-F57 HydrophobicContact CE3-CB 3.41Å; W51-F57 VanDerWaalsContact CE3-CB 3.41Å; W51-F57 HydrophobicContact CE3-CG 4.47Å; W51-F57 HydrophobicContact CH2-CB 4.41Å; W51-F57 HydrophobicContact CZ3-CB 3.59Å; W51-F57 HydrophobicContact CZ3-CD2 4.4Å; W51-F57 HydrophobicContact CZ3-CG 4.27Å; W51-K58 HydrophobicContact CB-CB 4.29Å; W51-V60 HydrophobicContact CH2-CB 4.28Å; W51-V60 HydrophobicContact CH2-CG1 4.14Å; W51-V60 HydrophobicContact CZ2-CB 3.66Å; W51-V60 HydrophobicContact CZ2-CG1 3.45Å; W51-V60 VanDerWaalsContact CZ2-CG1 3.45Å; W51-V60 HydrophobicContact CZ2-CG2 4.41Å |
| 52 | K | 88.4 | Confident | 92.2 | Very high | 145 Ų | 145 | 85.9 Ų | 85.9 | 63% | 0.63 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -55 | -24.1 | 162.1 | -71.9 | 168.3 | -174.1 | 174.5 | 0 | 112.1 | E45 T49 V50 | E45-K52 IonicContact OE1-NZ 3.63Å; E45-K52 PolarHBondContact OE1-NZ 3.27Å; T49-K52 VanDerWaalsContact O-CG 3.29Å; T49-K52 WeakPolarHBondContact O-CG 3.48Å; T49-K52 PolarHBondContact O-N 3.14Å; V50-K52 PolarHBondContact O-N 3.04Å |
| 53 | I | 91 | Very high | 92.3 | Very high | 107 Ų | 107 | 79.7 Ų | 79.7 | 55% | 0.549 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -59.8 | -44 | 173.4 | -60.3 | 165.5 | 0 | 0 | 0 | 111.5 | L39 V50 W51 | L39-I53 HydrophobicContact CD1-CD1 3.59Å; V50-I53 HydrophobicContact CG2-CD1 4.27Å; V50-I53 WeakPolarHBondContact O-CG1 3.31Å; V50-I53 PolarHBondContact O-N 3.34Å; W51-I53 PolarHBondContact O-N 3.38Å |
| 54 | C | 92.4 | Very high | 92.3 | Very high | 44 Ų | 44 | 80.9 Ų | 80.9 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | trans | -143 | 95 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | W51 F56 F57 | W51-C54 CarbonylContact O-C 3.04Å; W51-C54 PolarHBondContact O-N 3.01Å; W51-C54 VanDerWaalsContact O-N 3.09Å; W51-C54 VanDerWaalsContact O-O 3.08Å; C54-F56 PolarHBondContact O-N 3.44Å; C54-F57 HydrophobicContact CB-CD2 3.87Å; C54-F57 PolarHBondContact O-N 3.44Å; C54-F57 WeakPolarHBondContact SG-CD2 3.2Å | ||
| 55 | P | 91.6 | Very high | 92.3 | Very high | 96 Ų | 96 | 74.6 Ų | 74.6 | 62% | 0.623 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -57.7 | -25.6 | -174.3 | -28.1 | 35.6 | 0 | 0 | 0 | 114.5 | F57 K58 | P55-F57 PolarHBondContact O-N 3.21Å; P55-K58 VanDerWaalsContact O-CB 3.25Å; P55-K58 WeakPolarHBondContact O-CB 3.25Å; P55-K58 PolarHBondContact O-N 2.98Å |
| 56 | F | 94.3 | Very high | 92.6 | Very high | 177 Ų | 177 | 75.2 Ų | 75.2 | 78% | 0.776 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -57.9 | -36 | 174.6 | -175.1 | -99.2 | 0 | 0 | 0 | 112.2 | C54 K58 | C54-F56 PolarHBondContact O-N 3.44Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 3.27Å |
| 57 | F | 94.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 78 Ų | 78 | 43% | 0.425 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -90.6 | 11.2 | -179.4 | -63.9 | -56.7 | 0 | 0 | 0 | 114.1 | W51 C54 P55 G59 V60 | W51-F57 HydrophobicContact CD2-CB 4.09Å; W51-F57 HydrophobicContact CE3-CB 3.41Å; W51-F57 VanDerWaalsContact CE3-CB 3.41Å; W51-F57 HydrophobicContact CE3-CG 4.47Å; W51-F57 HydrophobicContact CH2-CB 4.41Å; W51-F57 HydrophobicContact CZ3-CB 3.59Å; W51-F57 HydrophobicContact CZ3-CD2 4.4Å; W51-F57 HydrophobicContact CZ3-CG 4.27Å; C54-F57 HydrophobicContact CB-CD2 3.87Å; C54-F57 PolarHBondContact O-N 3.44Å; C54-F57 WeakPolarHBondContact SG-CD2 3.2Å; P55-F57 PolarHBondContact O-N 3.21Å; F57-G59 PolarHBondContact O-N 2.92Å; F57-V60 HydrophobicContact CB-CG2 4.17Å; F57-V60 HydrophobicContact CD1-CG2 4.45Å; F57-V60 VanDerWaalsContact O-CB 3.31Å; F57-V60 WeakPolarHBondContact O-CB 3.35Å; F57-V60 WeakPolarHBondContact O-CG2 3.39Å; F57-V60 PolarHBondContact O-N 3.29Å |
| 58 | K | 92.2 | Very high | 93.2 | Very high | 106 Ų | 106 | 78.3 Ų | 78.3 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.6 | -28.3 | 178.3 | -167.9 | 177.6 | -176.6 | -179.2 | 0 | 113.3 | W51 P55 F56 V60 G61 Y62 | W51-K58 HydrophobicContact CB-CB 4.29Å; P55-K58 VanDerWaalsContact O-CB 3.25Å; P55-K58 WeakPolarHBondContact O-CB 3.25Å; P55-K58 PolarHBondContact O-N 2.98Å; F56-K58 VanDerWaalsContact C-N 3.34Å; F56-K58 PolarHBondContact O-N 3.27Å; K58-V60 VanDerWaalsContact C-N 3.25Å; K58-V60 PolarHBondContact O-N 2.92Å; K58-G61 PolarHBondContact O-N 3.13Å; K58-Y62 HydrophobicContact CD-CE2 4.5Å; K58-Y62 HydrophobicContact CG-CE2 4.09Å; K58-Y62 WeakPolarHBondContact O-CD2 3.44Å |
| 59 | G | 94.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 82 Ų | 82 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -29.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F57 G61 Y62 A63 | F57-G59 PolarHBondContact O-N 2.92Å; G59-G61 VanDerWaalsContact C-N 3.34Å; G59-G61 PolarHBondContact O-N 3.26Å; G59-Y62 PolarHBondContact O-N 2.84Å; G59-A63 PolarHBondContact O-N 2.89Å |
| 60 | V | 94.3 | Very high | 93.6 | Very high | 63 Ų | 63 | 86.2 Ų | 86.2 | 38% | 0.382 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | W51 F57 K58 Y62 A63 V64 | W51-V60 HydrophobicContact CH2-CB 4.28Å; W51-V60 HydrophobicContact CH2-CG1 4.14Å; W51-V60 HydrophobicContact CZ2-CB 3.66Å; W51-V60 HydrophobicContact CZ2-CG1 3.45Å; W51-V60 VanDerWaalsContact CZ2-CG1 3.45Å; W51-V60 HydrophobicContact CZ2-CG2 4.41Å; F57-V60 HydrophobicContact CB-CG2 4.17Å; F57-V60 HydrophobicContact CD1-CG2 4.45Å; F57-V60 VanDerWaalsContact O-CB 3.31Å; F57-V60 WeakPolarHBondContact O-CB 3.35Å; F57-V60 WeakPolarHBondContact O-CG2 3.39Å; F57-V60 PolarHBondContact O-N 3.29Å; K58-V60 VanDerWaalsContact C-N 3.25Å; K58-V60 PolarHBondContact O-N 2.92Å; V60-Y62 PolarHBondContact O-N 2.93Å; V60-A63 WeakPolarHBondContact O-CB 3.41Å; V60-A63 PolarHBondContact O-N 2.93Å; V60-V64 WeakPolarHBondContact O-CG2 3.48Å; V60-V64 PolarHBondContact O-N 3.33Å |
| 61 | G | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A47 K58 G59 V64 I65 | A47-G61 VanDerWaalsContact O-CA 3.26Å; A47-G61 WeakPolarHBondContact O-CA 3.25Å; K58-G61 PolarHBondContact O-N 3.13Å; G59-G61 VanDerWaalsContact C-N 3.34Å; G59-G61 PolarHBondContact O-N 3.26Å; G61-V64 PolarHBondContact O-N 2.94Å; G61-I65 WeakPolarHBondContact O-CG1 3.3Å; G61-I65 PolarHBondContact O-N 3.26Å |
| 62 | Y | 94.1 | Very high | 93.9 | Very high | 134 Ų | 134 | 85.9 Ų | 85.9 | 53% | 0.525 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 174.1 | -67.4 | -65.5 | 0 | 0 | 0 | 112.3 | A48 K58 G59 V60 V64 I65 L66 | A48-Y62 HydrophobicContact CB-CD1 4.43Å; A48-Y62 HydrophobicContact CB-CE1 4.26Å; K58-Y62 HydrophobicContact CD-CE2 4.5Å; K58-Y62 HydrophobicContact CG-CE2 4.09Å; K58-Y62 WeakPolarHBondContact O-CD2 3.44Å; G59-Y62 PolarHBondContact O-N 2.84Å; V60-Y62 PolarHBondContact O-N 2.93Å; Y62-V64 VanDerWaalsContact C-N 3.33Å; Y62-V64 PolarHBondContact O-N 3.4Å; Y62-I65 PolarHBondContact O-N 3.37Å; Y62-L66 PolarHBondContact O-N 3.35Å |
| 63 | A | 95.9 | Very high | 94.1 | Very high | 46 Ų | 46 | 85 Ų | 85 | 38% | 0.38 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G59 V60 I65 L66 I67 | G59-A63 PolarHBondContact O-N 2.89Å; V60-A63 WeakPolarHBondContact O-CB 3.41Å; V60-A63 PolarHBondContact O-N 2.93Å; A63-I65 VanDerWaalsContact C-N 3.35Å; A63-I65 PolarHBondContact O-N 3.3Å; A63-L66 PolarHBondContact O-N 3.27Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.38Å; A63-I67 PolarHBondContact O-N 3.48Å |
| 64 | V | 93.9 | Very high | 94.2 | Very high | 76 Ų | 76 | 85.6 Ų | 85.6 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | V60 G61 Y62 L66 I67 A68 | V60-V64 WeakPolarHBondContact O-CG2 3.48Å; V60-V64 PolarHBondContact O-N 3.33Å; G61-V64 PolarHBondContact O-N 2.94Å; Y62-V64 VanDerWaalsContact C-N 3.33Å; Y62-V64 PolarHBondContact O-N 3.4Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 3.13Å; V64-I67 PolarHBondContact O-N 3.1Å; V64-A68 WeakPolarHBondContact O-CB 3.45Å; V64-A68 PolarHBondContact O-N 3.48Å |
| 65 | I | 94 | Very high | 94.3 | Very high | 92 Ų | 92 | 89.3 Ų | 89.3 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.7 | -65.9 | 167.8 | 0 | 0 | 0 | 110.9 | A48 G61 Y62 A63 A68 L69 | A48-I65 HydrophobicContact CB-CD1 3.97Å; G61-I65 WeakPolarHBondContact O-CG1 3.3Å; G61-I65 PolarHBondContact O-N 3.26Å; Y62-I65 PolarHBondContact O-N 3.37Å; A63-I65 VanDerWaalsContact C-N 3.35Å; A63-I65 PolarHBondContact O-N 3.3Å; I65-A68 PolarHBondContact O-N 3.48Å; I65-L69 PolarHBondContact O-N 3.21Å |
| 66 | L | 95.8 | Very high | 94.6 | Very high | 91 Ų | 91 | 86.6 Ų | 86.6 | 48% | 0.476 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.5 | -174.6 | 71.9 | 0 | 0 | 0 | 111.9 | Y62 A63 V64 A68 L69 Y70 | Y62-L66 PolarHBondContact O-N 3.35Å; A63-L66 PolarHBondContact O-N 3.27Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 3.13Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.09Å; L66-L69 WeakPolarHBondContact O-CB 3.25Å; L66-L69 PolarHBondContact O-N 2.88Å; L66-Y70 HydrophobicContact CD1-CE2 3.98Å; L66-Y70 HydrophobicContact CD2-CE2 4.11Å; L66-Y70 HydrophobicContact CG-CD2 4.14Å; L66-Y70 HydrophobicContact CG-CE2 3.72Å; L66-Y70 VanDerWaalsContact O-CD2 3.27Å; L66-Y70 WeakPolarHBondContact O-CD2 3.47Å; L66-Y70 PolarHBondContact O-N 2.87Å; L66-Y70 VanDerWaalsContact O-N 3.14Å |
| 67 | I | 95.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 80.7 Ų | 80.7 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 175.7 | -68.6 | 164.5 | 0 | 0 | 0 | 109.9 | A63 V64 L69 Y70 V71 | A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.38Å; A63-I67 PolarHBondContact O-N 3.48Å; V64-I67 PolarHBondContact O-N 3.1Å; I67-L69 VanDerWaalsContact C-N 3.25Å; I67-L69 PolarHBondContact O-N 2.85Å; I67-Y70 PolarHBondContact O-N 2.91Å; I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 WeakPolarHBondContact O-CB 3.42Å; I67-V71 VanDerWaalsContact O-CG2 3.25Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.23Å |
| 68 | A | 94.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 79.1 Ų | 79.1 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V64 I65 L66 G72 | V64-A68 WeakPolarHBondContact O-CB 3.45Å; V64-A68 PolarHBondContact O-N 3.48Å; I65-A68 PolarHBondContact O-N 3.48Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.09Å; A68-G72 PolarHBondContact O-N 3.19Å |
| 69 | L | 94.7 | Very high | 94.9 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 174.3 | -178.8 | 67 | 0 | 0 | 0 | 111.8 | I65 L66 I67 V71 G72 F73 | I65-L69 PolarHBondContact O-N 3.21Å; L66-L69 WeakPolarHBondContact O-CB 3.25Å; L66-L69 PolarHBondContact O-N 2.88Å; I67-L69 VanDerWaalsContact C-N 3.25Å; I67-L69 PolarHBondContact O-N 2.85Å; L69-V71 VanDerWaalsContact C-N 3.34Å; L69-V71 PolarHBondContact O-N 3.1Å; L69-G72 PolarHBondContact O-N 2.9Å; L69-F73 HydrophobicContact CD1-CE1 4.22Å; L69-F73 HydrophobicContact CD1-CE2 4.08Å; L69-F73 HydrophobicContact CD1-CZ 3.69Å; L69-F73 HydrophobicContact CD2-CE2 4.25Å; L69-F73 HydrophobicContact CD2-CZ 4.34Å; L69-F73 HydrophobicContact CG-CE2 3.73Å; L69-F73 HydrophobicContact CG-CZ 3.86Å; L69-F73 WeakPolarHBondContact O-CD2 3.37Å; L69-F73 PolarHBondContact O-N 2.9Å; L69-F73 VanDerWaalsContact O-N 3.13Å |
| 70 | Y | 95.3 | Very high | 95 | Very high | 146 Ų | 146 | 75.7 Ų | 75.7 | 57% | 0.573 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 177.5 | -75.1 | -60.6 | 0 | 0 | 0 | 112.4 | L66 I67 G72 F73 Y74 | L66-Y70 HydrophobicContact CD1-CE2 3.98Å; L66-Y70 HydrophobicContact CD2-CE2 4.11Å; L66-Y70 HydrophobicContact CG-CD2 4.14Å; L66-Y70 HydrophobicContact CG-CE2 3.72Å; L66-Y70 VanDerWaalsContact O-CD2 3.27Å; L66-Y70 WeakPolarHBondContact O-CD2 3.47Å; L66-Y70 PolarHBondContact O-N 2.87Å; L66-Y70 VanDerWaalsContact O-N 3.14Å; I67-Y70 PolarHBondContact O-N 2.91Å; Y70-G72 VanDerWaalsContact C-N 3.31Å; Y70-G72 PolarHBondContact O-N 3.38Å; Y70-F73 HydrophobicContact CD1-CD2 4.44Å; Y70-F73 PolarHBondContact O-N 2.57Å; Y70-Y74 WeakPolarHBondContact O-CD1 3.38Å |
| 71 | V | 95.9 | Very high | 95.1 | Very high | 52 Ų | 52 | 75.7 Ų | 75.7 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I67 L69 F73 Y74 Y75 | I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 WeakPolarHBondContact O-CB 3.42Å; I67-V71 VanDerWaalsContact O-CG2 3.25Å; I67-V71 WeakPolarHBondContact O-CG2 3.35Å; I67-V71 PolarHBondContact O-N 3.23Å; L69-V71 VanDerWaalsContact C-N 3.34Å; L69-V71 PolarHBondContact O-N 3.1Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 3.28Å; V71-Y74 HydrophobicContact CB-CE1 4.22Å; V71-Y74 HydrophobicContact CG1-CE1 4.43Å; V71-Y74 HydrophobicContact CG2-CE1 4.14Å; V71-Y75 HydrophobicContact CG1-CD2 3.41Å; V71-Y75 VanDerWaalsContact CG1-CD2 3.41Å; V71-Y75 HydrophobicContact CG1-CE2 3.65Å; V71-Y75 WeakPolarHBondContact O-CB 3.24Å; V71-Y75 WeakPolarHBondContact O-CD2 3.14Å; V71-Y75 PolarHBondContact O-N 2.91Å; V71-Y75 VanDerWaalsContact O-N 3.09Å |
| 72 | G | 94.7 | Very high | 95.2 | Very high | 26 Ų | 26 | 79.1 Ų | 79.1 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.1 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A68 L69 Y70 N76 | A68-G72 PolarHBondContact O-N 3.19Å; L69-G72 PolarHBondContact O-N 2.9Å; Y70-G72 VanDerWaalsContact C-N 3.31Å; Y70-G72 PolarHBondContact O-N 3.38Å; G72-N76 WeakPolarHBondContact O-CB 3.15Å; G72-N76 VanDerWaalsContact O-CG 3.25Å; G72-N76 PolarHBondContact O-N 3.15Å; G72-N76 PolarHBondContact O-ND2 2.9Å |
| 73 | F | 92.7 | Very high | 95.3 | Very high | 127 Ų | 127 | 74.1 Ų | 74.1 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.6 | -54.5 | -180 | -68.4 | -44.7 | 0 | 0 | 0 | 112.6 | L69 Y70 V71 V77 | L69-F73 HydrophobicContact CD1-CE1 4.22Å; L69-F73 HydrophobicContact CD1-CE2 4.08Å; L69-F73 HydrophobicContact CD1-CZ 3.69Å; L69-F73 HydrophobicContact CD2-CE2 4.25Å; L69-F73 HydrophobicContact CD2-CZ 4.34Å; L69-F73 HydrophobicContact CG-CE2 3.73Å; L69-F73 HydrophobicContact CG-CZ 3.86Å; L69-F73 WeakPolarHBondContact O-CD2 3.37Å; L69-F73 PolarHBondContact O-N 2.9Å; L69-F73 VanDerWaalsContact O-N 3.13Å; Y70-F73 HydrophobicContact CD1-CD2 4.44Å; Y70-F73 PolarHBondContact O-N 2.57Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 3.28Å; F73-V77 WeakPolarHBondContact O-CG2 3.16Å |
| 74 | Y | 93.9 | Very high | 95.3 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -78.1 | -33.3 | -173.9 | 78.9 | -98.9 | 0 | 0 | 0 | 112.9 | Y70 V71 N76 V77 I78 | Y70-Y74 WeakPolarHBondContact O-CD1 3.38Å; V71-Y74 HydrophobicContact CB-CE1 4.22Å; V71-Y74 HydrophobicContact CG1-CE1 4.43Å; V71-Y74 HydrophobicContact CG2-CE1 4.14Å; Y74-N76 PolarHBondContact O-N 3.45Å; Y74-V77 WeakPolarHBondContact O-CB 3.33Å; Y74-V77 PolarHBondContact O-N 3Å; Y74-I78 HydrophobicContact CD2-CD1 4.04Å; Y74-I78 HydrophobicContact CE2-CD1 4.42Å; Y74-I78 PolarHBondContact O-N 3.02Å |
| 75 | Y | 95.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 73.7 Ų | 73.7 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 178.3 | -94.3 | -76.3 | 0 | 0 | 0 | 112.1 | V71 V77 I78 I79 | V71-Y75 HydrophobicContact CG1-CD2 3.41Å; V71-Y75 VanDerWaalsContact CG1-CD2 3.41Å; V71-Y75 HydrophobicContact CG1-CE2 3.65Å; V71-Y75 WeakPolarHBondContact O-CB 3.24Å; V71-Y75 WeakPolarHBondContact O-CD2 3.14Å; V71-Y75 PolarHBondContact O-N 2.91Å; V71-Y75 VanDerWaalsContact O-N 3.09Å; Y75-V77 VanDerWaalsContact C-N 3.25Å; Y75-V77 PolarHBondContact O-N 3.23Å; Y75-I78 PolarHBondContact O-N 3.37Å; Y75-I79 WeakPolarHBondContact O-CG1 3.47Å; Y75-I79 PolarHBondContact O-N 3.2Å |
| 76 | N | 96.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 73.6 Ų | 73.6 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 177 | -74.1 | -32.6 | 0 | 0 | 0 | 112.3 | G72 Y74 I79 A80 L164 V167 L171 | G72-N76 WeakPolarHBondContact O-CB 3.15Å; G72-N76 VanDerWaalsContact O-CG 3.25Å; G72-N76 PolarHBondContact O-N 3.15Å; G72-N76 PolarHBondContact O-ND2 2.9Å; Y74-N76 PolarHBondContact O-N 3.45Å; N76-I79 PolarHBondContact O-N 3Å; N76-A80 WeakPolarHBondContact O-CB 3.17Å; N76-A80 PolarHBondContact O-N 3.17Å; N76-L164 HydrophobicContact CB-CD1 3.94Å; N76-V167 HydrophobicContact CB-CG1 4.46Å; N76-L171 VanDerWaalsContact OD1-CD1 3.23Å; N76-L171 WeakPolarHBondContact OD1-CD1 3.3Å |
| 77 | V | 95.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 74.3 Ų | 74.3 | 32% | 0.315 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | F73 Y74 Y75 I79 A80 W81 | F73-V77 WeakPolarHBondContact O-CG2 3.16Å; Y74-V77 WeakPolarHBondContact O-CB 3.33Å; Y74-V77 PolarHBondContact O-N 3Å; Y75-V77 VanDerWaalsContact C-N 3.25Å; Y75-V77 PolarHBondContact O-N 3.23Å; V77-I79 VanDerWaalsContact C-N 3.31Å; V77-I79 PolarHBondContact O-N 3.13Å; V77-A80 WeakPolarHBondContact O-CB 3.44Å; V77-A80 PolarHBondContact O-N 3.23Å; V77-A80 VanDerWaalsContact O-N 3.1Å; V77-W81 HydrophobicContact CG1-CD2 4.4Å; V77-W81 HydrophobicContact CG1-CZ2 3.64Å; V77-W81 PolarHBondContact O-N 2.85Å |
| 78 | I | 95.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 33% | 0.328 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -39 | 176.2 | -63.2 | 169.7 | 0 | 0 | 0 | 111.2 | Y74 Y75 A80 W81 S82 | Y74-I78 HydrophobicContact CD2-CD1 4.04Å; Y74-I78 HydrophobicContact CE2-CD1 4.42Å; Y74-I78 PolarHBondContact O-N 3.02Å; Y75-I78 PolarHBondContact O-N 3.37Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-W81 HydrophobicContact CB-CE3 4.48Å; I78-W81 HydrophobicContact CG1-CE3 4.17Å; I78-W81 HydrophobicContact CG1-CZ3 4.02Å; I78-W81 PolarHBondContact O-N 3.36Å; I78-S82 PolarHBondContact O-N 3.1Å; I78-S82 PolarHBondContact O-OG 3.45Å |
| 79 | I | 96.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 69.8 Ų | 69.8 | 41% | 0.41 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 174.3 | -62.4 | 168.1 | 0 | 0 | 0 | 110.1 | Y75 N76 V77 W81 S82 L83 V167 | Y75-I79 WeakPolarHBondContact O-CG1 3.47Å; Y75-I79 PolarHBondContact O-N 3.2Å; N76-I79 PolarHBondContact O-N 3Å; V77-I79 VanDerWaalsContact C-N 3.31Å; V77-I79 PolarHBondContact O-N 3.13Å; I79-W81 PolarHBondContact O-N 3.34Å; I79-S82 WeakPolarHBondContact O-CB 3.26Å; I79-S82 PolarHBondContact O-N 2.92Å; I79-S82 VanDerWaalsContact O-N 3.15Å; I79-L83 WeakPolarHBondContact O-CB 3.36Å; I79-L83 PolarHBondContact O-N 3.43Å; I79-V167 HydrophobicContact CB-CG1 4.35Å; I79-V167 HydrophobicContact CB-CG2 4.39Å; I79-V167 HydrophobicContact CG2-CG1 4.01Å; I79-V167 HydrophobicContact CG2-CG2 3.7Å |
| 80 | A | 96.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N76 V77 I78 S82 L83 Y84 C163 L164 | N76-A80 WeakPolarHBondContact O-CB 3.17Å; N76-A80 PolarHBondContact O-N 3.17Å; V77-A80 WeakPolarHBondContact O-CB 3.44Å; V77-A80 PolarHBondContact O-N 3.23Å; V77-A80 VanDerWaalsContact O-N 3.1Å; I78-A80 VanDerWaalsContact C-N 3.32Å; A80-S82 VanDerWaalsContact C-N 3.34Å; A80-L83 PolarHBondContact O-N 3.41Å; A80-Y84 PolarHBondContact O-N 2.95Å; A80-C163 HydrophobicContact CB-CB 4.06Å; A80-L164 HydrophobicContact CB-CB 4.04Å; A80-L164 HydrophobicContact CB-CD1 4.33Å |
| 81 | W | 96.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 69 Ų | 69 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 170.9 | -59.2 | -19.8 | 0 | 0 | 0 | 110.8 | V77 I78 I79 L83 Y84 Y85 Y137 L142 | V77-W81 HydrophobicContact CG1-CD2 4.4Å; V77-W81 HydrophobicContact CG1-CZ2 3.64Å; V77-W81 PolarHBondContact O-N 2.85Å; I78-W81 HydrophobicContact CB-CE3 4.48Å; I78-W81 HydrophobicContact CG1-CE3 4.17Å; I78-W81 HydrophobicContact CG1-CZ3 4.02Å; I78-W81 PolarHBondContact O-N 3.36Å; I79-W81 PolarHBondContact O-N 3.34Å; W81-L83 VanDerWaalsContact C-N 3.29Å; W81-L83 PolarHBondContact O-N 3.48Å; W81-Y84 WeakPolarHBondContact O-CB 3.39Å; W81-Y84 PolarHBondContact O-N 3.1Å; W81-Y84 VanDerWaalsContact O-N 3.13Å; W81-Y85 WeakPolarHBondContact O-CD2 3.43Å; W81-Y85 PolarHBondContact O-N 3.15Å; W81-Y137 HydrophobicContact CE3-CE2 4.41Å; W81-Y137 VanDerWaalsContact CZ3-OH 3.31Å; W81-Y137 WeakPolarHBondContact CZ3-OH 3.27Å; W81-L142 HydrophobicContact CD2-CD2 4.2Å; W81-L142 HydrophobicContact CH2-CD2 4.25Å; W81-L142 HydrophobicContact CZ2-CD2 3.57Å |
| 82 | S | 95.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 74.9 Ų | 74.9 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 112 | I78 I79 A80 Y85 L86 | I78-S82 PolarHBondContact O-N 3.1Å; I78-S82 PolarHBondContact O-OG 3.45Å; I79-S82 WeakPolarHBondContact O-CB 3.26Å; I79-S82 PolarHBondContact O-N 2.92Å; I79-S82 VanDerWaalsContact O-N 3.15Å; A80-S82 VanDerWaalsContact C-N 3.34Å; S82-Y85 PolarHBondContact O-N 3.42Å; S82-L86 PolarHBondContact O-N 3.03Å |
| 83 | L | 96.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 79.8 Ų | 79.8 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 175.5 | -177.2 | 61.6 | 0 | 0 | 0 | 111.8 | I79 A80 W81 L86 F87 C163 V166 V167 | I79-L83 WeakPolarHBondContact O-CB 3.36Å; I79-L83 PolarHBondContact O-N 3.43Å; A80-L83 PolarHBondContact O-N 3.41Å; W81-L83 VanDerWaalsContact C-N 3.29Å; W81-L83 PolarHBondContact O-N 3.48Å; L83-L86 HydrophobicContact CD1-CD2 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.19Å; L83-L86 PolarHBondContact O-N 3.37Å; L83-F87 HydrophobicContact CD1-CD2 4.13Å; L83-F87 HydrophobicContact CD1-CE2 3.54Å; L83-F87 HydrophobicContact CD1-CZ 4.02Å; L83-F87 HydrophobicContact CD2-CE2 4.08Å; L83-F87 HydrophobicContact CG-CD2 4Å; L83-F87 HydrophobicContact CG-CE2 3.56Å; L83-F87 HydrophobicContact CG-CZ 4.47Å; L83-F87 WeakPolarHBondContact O-CD2 3.3Å; L83-F87 PolarHBondContact O-N 3.03Å; L83-C163 HydrophobicContact CD2-CB 4.2Å; L83-V166 HydrophobicContact CD2-CB 3.97Å; L83-V166 HydrophobicContact CD2-CG1 3.81Å; L83-V167 HydrophobicContact CD2-CG2 4.02Å |
| 84 | Y | 96.5 | Very high | 94.9 | Very high | 56 Ų | 56 | 77 Ų | 77 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 172.3 | -177.7 | -89.8 | 0 | 0 | 0 | 111.3 | A80 W81 L86 F87 A88 F136 V141 Q159 L160 | A80-Y84 PolarHBondContact O-N 2.95Å; W81-Y84 WeakPolarHBondContact O-CB 3.39Å; W81-Y84 PolarHBondContact O-N 3.1Å; W81-Y84 VanDerWaalsContact O-N 3.13Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 2.94Å; Y84-F87 PolarHBondContact O-N 2.95Å; Y84-A88 WeakPolarHBondContact O-CB 3.38Å; Y84-A88 PolarHBondContact O-N 3.2Å; Y84-F136 AromaticContact CE1-CZ 3.98Å; Y84-F136 HydrophobicContact CE1-CZ 3.98Å; Y84-V141 HydrophobicContact CD1-CG1 4.11Å; Y84-V141 HydrophobicContact CD1-CG2 3.87Å; Y84-V141 HydrophobicContact CE1-CG1 4.45Å; Y84-V141 HydrophobicContact CE1-CG2 3.67Å; Y84-Q159 HydrophobicContact CD2-CB 4.18Å; Y84-Q159 HydrophobicContact CE2-CB 3.78Å; Y84-Q159 HydrophobicContact CE2-CG 4.34Å; Y84-L160 HydrophobicContact CD2-CD2 4.21Å; Y84-L160 HydrophobicContact CG-CD2 4.08Å |
| 85 | Y | 96.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 72.1 Ų | 72.1 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 174.5 | -89.2 | -88 | 0 | 0 | 0 | 112.6 | W81 S82 A88 S89 W96 F136 Y137 V141 | W81-Y85 WeakPolarHBondContact O-CD2 3.43Å; W81-Y85 PolarHBondContact O-N 3.15Å; S82-Y85 PolarHBondContact O-N 3.42Å; Y85-A88 PolarHBondContact O-N 3.18Å; Y85-S89 WeakPolarHBondContact O-CB 3.39Å; Y85-S89 PolarHBondContact O-N 3.18Å; Y85-S89 PolarHBondContact O-OG 3.37Å; Y85-W96 AromaticContact CD1-CE3 3.93Å; Y85-W96 HydrophobicContact CD1-CE3 3.93Å; Y85-W96 AromaticContact CD1-CH2 3.66Å; Y85-W96 HydrophobicContact CD1-CH2 3.66Å; Y85-W96 HydrophobicContact CD1-CZ2 4.35Å; Y85-W96 AromaticContact CD1-CZ3 3.42Å; Y85-W96 HydrophobicContact CD1-CZ3 3.42Å; Y85-W96 VanDerWaalsContact CD1-CZ3 3.42Å; Y85-W96 HydrophobicContact CE1-CD2 4.33Å; Y85-W96 AromaticContact CE1-CE3 3.77Å; Y85-W96 HydrophobicContact CE1-CE3 3.77Å; Y85-W96 HydrophobicContact CE1-CH2 4.3Å; Y85-W96 AromaticContact CE1-CZ3 3.77Å; Y85-W96 HydrophobicContact CE1-CZ3 3.77Å; Y85-F136 HydrophobicContact CD1-CE1 4.11Å; Y85-F136 AromaticContact CE1-CD1 3.66Å; Y85-F136 HydrophobicContact CE1-CD1 3.66Å; Y85-F136 AromaticContact CE1-CE1 3.49Å; Y85-F136 HydrophobicContact CE1-CE1 3.49Å; Y85-F136 VanDerWaalsContact CE1-CE1 3.49Å; Y85-F136 HydrophobicContact CE2-CE1 4.47Å; Y85-F136 AromaticContact CZ-CD1 3.73Å; Y85-F136 AromaticContact CZ-CE1 3.69Å; Y85-F136 WeakPolarHBondContact OH-CD1 3.47Å; Y85-Y137 HydrophobicContact CE2-CD2 4.09Å; Y85-Y137 WeakPolarHBondContact OH-CA 3.33Å; Y85-Y137 WeakPolarHBondContact OH-CB 3.32Å; Y85-V141 HydrophobicContact CE2-CG1 4.44Å; Y85-V141 HydrophobicContact CE2-CG2 3.85Å |
| 86 | L | 95.5 | Very high | 94.5 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 175.6 | 179.3 | 64.1 | 0 | 0 | 0 | 111.3 | S82 L83 Y84 S89 F90 | S82-L86 PolarHBondContact O-N 3.03Å; L83-L86 HydrophobicContact CD1-CD2 4.18Å; L83-L86 WeakPolarHBondContact O-CB 3.19Å; L83-L86 PolarHBondContact O-N 3.37Å; Y84-L86 VanDerWaalsContact C-N 3.3Å; Y84-L86 PolarHBondContact O-N 2.94Å; L86-S89 WeakPolarHBondContact O-CB 3.44Å; L86-S89 PolarHBondContact O-N 3.18Å; L86-F90 HydrophobicContact CD1-CE1 4.39Å; L86-F90 HydrophobicContact CD1-CZ 4.17Å; L86-F90 HydrophobicContact CG-CZ 4.19Å |
| 87 | F | 95.1 | Very high | 94.2 | Very high | 107 Ų | 107 | 69.2 Ų | 69.2 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 177.3 | -71 | -57.9 | 0 | 0 | 0 | 112.5 | L83 Y84 S89 F90 | L83-F87 HydrophobicContact CD1-CD2 4.13Å; L83-F87 HydrophobicContact CD1-CE2 3.54Å; L83-F87 HydrophobicContact CD1-CZ 4.02Å; L83-F87 HydrophobicContact CD2-CE2 4.08Å; L83-F87 HydrophobicContact CG-CD2 4Å; L83-F87 HydrophobicContact CG-CE2 3.56Å; L83-F87 HydrophobicContact CG-CZ 4.47Å; L83-F87 WeakPolarHBondContact O-CD2 3.3Å; L83-F87 PolarHBondContact O-N 3.03Å; Y84-F87 PolarHBondContact O-N 2.95Å; F87-S89 PolarHBondContact O-N 3.09Å; F87-F90 HydrophobicContact CD1-CD2 4.18Å; F87-F90 AromaticContact CD1-CE2 3.94Å; F87-F90 HydrophobicContact CD1-CE2 3.94Å; F87-F90 HydrophobicContact CE1-CE2 4.42Å; F87-F90 PolarHBondContact O-N 3.37Å |
| 88 | A | 94.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 69.8 Ų | 69.8 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -17.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y84 Y85 F90 T91 P95 W96 F136 | Y84-A88 WeakPolarHBondContact O-CB 3.38Å; Y84-A88 PolarHBondContact O-N 3.2Å; Y85-A88 PolarHBondContact O-N 3.18Å; A88-F90 VanDerWaalsContact C-N 3.34Å; A88-T91 PolarHBondContact O-OG1 3.02Å; A88-P95 HydrophobicContact CB-CG 4.25Å; A88-W96 HydrophobicContact CB-CZ3 4.16Å; A88-F136 HydrophobicContact CB-CZ 4.38Å |
| 89 | S | 96.3 | Very high | 93.3 | Very high | 49 Ų | 49 | 68.6 Ų | 68.6 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | Y85 L86 F87 T91 W96 | Y85-S89 WeakPolarHBondContact O-CB 3.39Å; Y85-S89 PolarHBondContact O-N 3.18Å; Y85-S89 PolarHBondContact O-OG 3.37Å; L86-S89 WeakPolarHBondContact O-CB 3.44Å; L86-S89 PolarHBondContact O-N 3.18Å; F87-S89 PolarHBondContact O-N 3.09Å; S89-T91 PolarHBondContact O-N 2.92Å; S89-T91 VanDerWaalsContact O-N 3.08Å; S89-W96 WeakPolarHBondContact OG-CH2 3.31Å |
| 90 | F | 94.8 | Very high | 92.7 | Very high | 152 Ų | 152 | 68.4 Ų | 68.4 | 67% | 0.667 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -81.3 | 27.8 | 178.2 | -61.1 | -34.6 | 0 | 0 | 0 | 113.6 | L86 F87 A88 | L86-F90 HydrophobicContact CD1-CE1 4.39Å; L86-F90 HydrophobicContact CD1-CZ 4.17Å; L86-F90 HydrophobicContact CG-CZ 4.19Å; F87-F90 HydrophobicContact CD1-CD2 4.18Å; F87-F90 AromaticContact CD1-CE2 3.94Å; F87-F90 HydrophobicContact CD1-CE2 3.94Å; F87-F90 HydrophobicContact CE1-CE2 4.42Å; F87-F90 PolarHBondContact O-N 3.37Å; A88-F90 VanDerWaalsContact C-N 3.34Å |
| 91 | T | 92.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -112 | 151.2 | 174.5 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | A88 S89 N93 | A88-T91 PolarHBondContact O-OG1 3.02Å; S89-T91 PolarHBondContact O-N 2.92Å; S89-T91 VanDerWaalsContact O-N 3.08Å; T91-N93 PolarHBondContact OG1-O 3.46Å |
| 92 | L | 90.4 | Very high | 92.1 | Very high | 174 Ų | 174 | 73.7 Ų | 73.7 | 91% | 0.911 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -64.1 | -41.4 | 177.8 | -69.2 | 173.4 | 0 | 0 | 0 | 112.1 | ||
| 93 | N | 90.4 | Very high | 91.8 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 70% | 0.695 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -107.7 | 122.6 | 173.2 | -65.6 | -46.4 | 0 | 0 | 0 | 108.5 | T91 | T91-N93 PolarHBondContact OG1-O 3.46Š|
| 94 | L | 92.2 | Very high | 91.5 | Very high | 67 Ų | 67 | 73.5 Ų | 73.5 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | trans | -73.5 | 137.7 | -177.6 | -57.8 | 92.2 | 0 | 0 | 0 | 110.4 | W96 T97 | L94-W96 HydrophobicContact CB-CD2 4.34Å; L94-W96 HydrophobicContact CB-CZ2 4.28Å; L94-W96 HydrophobicContact CD2-CH2 4.17Å; L94-W96 HydrophobicContact CD2-CZ2 3.38Å; L94-W96 HydrophobicContact CG-CZ2 4.43Å; L94-W96 PolarHBondContact O-N 2.86Å; L94-W96 VanDerWaalsContact O-N 3.14Å; L94-T97 HydrophobicContact CB-CG2 3.82Å; L94-T97 HydrophobicContact CD1-CG2 4.29Å; L94-T97 WeakPolarHBondContact O-CB 3.37Å; L94-T97 PolarHBondContact O-N 2.88Å; L94-T97 VanDerWaalsContact O-N 3.11Å; L94-T97 PolarHBondContact O-OG1 3.36Å | ||
| 95 | P | 90.7 | Very high | 91 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 12% | 0.117 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | -170.4 | 25 | -32 | 0 | 0 | 0 | 114.5 | A88 H101 W103 F136 | A88-P95 HydrophobicContact CB-CG 4.25Å; P95-H101 PolarHBondContact O-CD2 3.44Å; P95-W103 HydrophobicContact CB-CH2 4.17Å; P95-W103 HydrophobicContact CB-CZ2 3.9Å; P95-F136 HydrophobicContact CB-CD2 4.13Å; P95-F136 HydrophobicContact CB-CE2 3.7Å; P95-F136 HydrophobicContact CB-CZ 4.21Å; P95-F136 HydrophobicContact CG-CD2 4.45Å; P95-F136 HydrophobicContact CG-CE1 4.4Å; P95-F136 HydrophobicContact CG-CE2 3.76Å; P95-F136 HydrophobicContact CG-CZ 3.72Å |
| 96 | W | 91.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 75 Ų | 75 | 23% | 0.227 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 14.3 | 175.7 | 54.2 | 83.1 | 0 | 0 | 0 | 113.8 | Y85 A88 S89 L94 A133 F136 | Y85-W96 AromaticContact CD1-CE3 3.93Å; Y85-W96 HydrophobicContact CD1-CE3 3.93Å; Y85-W96 AromaticContact CD1-CH2 3.66Å; Y85-W96 HydrophobicContact CD1-CH2 3.66Å; Y85-W96 HydrophobicContact CD1-CZ2 4.35Å; Y85-W96 AromaticContact CD1-CZ3 3.42Å; Y85-W96 HydrophobicContact CD1-CZ3 3.42Å; Y85-W96 VanDerWaalsContact CD1-CZ3 3.42Å; Y85-W96 HydrophobicContact CE1-CD2 4.33Å; Y85-W96 AromaticContact CE1-CE3 3.77Å; Y85-W96 HydrophobicContact CE1-CE3 3.77Å; Y85-W96 HydrophobicContact CE1-CH2 4.3Å; Y85-W96 AromaticContact CE1-CZ3 3.77Å; Y85-W96 HydrophobicContact CE1-CZ3 3.77Å; A88-W96 HydrophobicContact CB-CZ3 4.16Å; S89-W96 WeakPolarHBondContact OG-CH2 3.31Å; L94-W96 HydrophobicContact CB-CD2 4.34Å; L94-W96 HydrophobicContact CB-CZ2 4.28Å; L94-W96 HydrophobicContact CD2-CH2 4.17Å; L94-W96 HydrophobicContact CD2-CZ2 3.38Å; L94-W96 HydrophobicContact CG-CZ2 4.43Å; L94-W96 PolarHBondContact O-N 2.86Å; L94-W96 VanDerWaalsContact O-N 3.14Å; W96-A133 HydrophobicContact CB-CB 4.06Å; W96-F136 HydrophobicContact CB-CB 3.92Å; W96-F136 HydrophobicContact CB-CD1 4.09Å; W96-F136 HydrophobicContact CB-CG 4.06Å; W96-F136 HydrophobicContact CD2-CD1 4.41Å; W96-F136 AromaticContact CE3-CD1 3.62Å; W96-F136 HydrophobicContact CE3-CD1 3.62Å; W96-F136 AromaticContact CE3-CE1 3.41Å; W96-F136 HydrophobicContact CE3-CE1 3.41Å; W96-F136 VanDerWaalsContact CE3-CE1 3.41Å; W96-F136 HydrophobicContact CE3-CG 4.4Å; W96-F136 HydrophobicContact CE3-CZ 4.03Å; W96-F136 HydrophobicContact CZ3-CD1 4.42Å; W96-F136 AromaticContact CZ3-CE1 3.79Å; W96-F136 HydrophobicContact CZ3-CE1 3.79Å; W96-F136 HydrophobicContact CZ3-CZ 4.28Å |
| 97 | T | 88.3 | Confident | 89.7 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 25% | 0.252 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -89.8 | -35.9 | -179.2 | 54 | 0 | 0 | 0 | 0 | 113.7 | L94 | L94-T97 HydrophobicContact CB-CG2 3.82Å; L94-T97 HydrophobicContact CD1-CG2 4.29Å; L94-T97 WeakPolarHBondContact O-CB 3.37Å; L94-T97 PolarHBondContact O-N 2.88Å; L94-T97 VanDerWaalsContact O-N 3.11Å; L94-T97 PolarHBondContact O-OG1 3.36Å |
| 98 | N | 87.1 | Confident | 89.2 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -129.4 | 153.4 | -170.9 | -57 | -15.6 | 0 | 0 | 0 | 111.2 | ||
| 99 | C | 85 | Confident | 88.5 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -78.2 | 164.4 | 167.4 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | N104 C108 | C99-N104 WeakPolarHBondContact CA-ND2 3.32Å; C99-C108 HydrophobicContact CB-CB 3.84Å; C99-C108 WeakPolarHBondContact CB-SG 3.29Å; C99-C108 WeakPolarHBondContact SG-CB 3.24Å; C99-C108 PolarHBondContact SG-O 3.44Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 3.48Å |
| 100 | G | 84.2 | Confident | 87.5 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 77% | 0.773 | 41% | 0.408 | S | S | * | . | trans | 105 | 8.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | N104 | G100-N104 PolarHBondContact N-ND2 3.33Å; G100-N104 VanDerWaalsContact N-ND2 3.15Å | ||
| 101 | H | 89.3 | Confident | 86.1 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 32% | 0.324 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -83.5 | 163.5 | 170.1 | -65.9 | -72.8 | 0 | 0 | 0 | 112.3 | P95 W103 N104 | P95-H101 PolarHBondContact O-CD2 3.44Å; H101-W103 HydrophobicContact CB-CD2 3.67Å; H101-W103 HydrophobicContact CB-CE3 4.02Å; H101-W103 HydrophobicContact CB-CG 4.34Å; H101-W103 HydrophobicContact CB-CH2 3.69Å; H101-W103 HydrophobicContact CB-CZ2 3.28Å; H101-W103 HydrophobicContact CB-CZ3 4.03Å; H101-W103 AromaticContact CD2-CZ2 3.56Å; H101-W103 AromaticContact CG-CE2 3.74Å; H101-W103 AromaticContact CG-CH2 3.61Å; H101-W103 AromaticContact CG-CZ2 3.22Å; H101-W103 AromaticContact ND1-CH2 3.63Å; H101-W103 AromaticContact ND1-CZ2 3.71Å; H101-W103 PolarHBondContact O-N 2.98Å; H101-W103 VanDerWaalsContact O-N 3.15Å; H101-N104 PolarHBondContact N-ND2 3.01Å; H101-N104 VanDerWaalsContact N-ND2 3.19Å; H101-N104 WeakPolarHBondContact O-CB 3.21Å; H101-N104 PolarHBondContact O-N 3.04Å |
| 102 | A | 90.4 | Very high | 84.9 | Confident | 107 Ų | 107 | 70.6 Ų | 70.6 | 88% | 0.884 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 103 | W | 89.4 | Confident | 83.6 | Confident | 75 Ų | 75 | 69 Ų | 69 | 28% | 0.284 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.4 | 178.5 | 54.3 | 80.4 | 0 | 0 | 0 | 113.7 | P95 H101 F136 R139 | P95-W103 HydrophobicContact CB-CH2 4.17Å; P95-W103 HydrophobicContact CB-CZ2 3.9Å; H101-W103 HydrophobicContact CB-CD2 3.67Å; H101-W103 HydrophobicContact CB-CE3 4.02Å; H101-W103 HydrophobicContact CB-CG 4.34Å; H101-W103 HydrophobicContact CB-CH2 3.69Å; H101-W103 HydrophobicContact CB-CZ2 3.28Å; H101-W103 HydrophobicContact CB-CZ3 4.03Å; H101-W103 AromaticContact CD2-CZ2 3.56Å; H101-W103 AromaticContact CG-CE2 3.74Å; H101-W103 AromaticContact CG-CH2 3.61Å; H101-W103 AromaticContact CG-CZ2 3.22Å; H101-W103 AromaticContact ND1-CH2 3.63Å; H101-W103 AromaticContact ND1-CZ2 3.71Å; H101-W103 PolarHBondContact O-N 2.98Å; H101-W103 VanDerWaalsContact O-N 3.15Å; W103-F136 AromaticContact CE2-CD2 3.69Å; W103-F136 HydrophobicContact CH2-CE2 4.42Å; W103-F136 AromaticContact CZ2-CD2 3.74Å; W103-F136 HydrophobicContact CZ2-CD2 3.74Å; W103-F136 AromaticContact CZ2-CE2 3.93Å; W103-F136 HydrophobicContact CZ2-CE2 3.93Å; W103-F136 AromaticContact NE1-CD2 3.65Å; W103-R139 HydrophobicContact CB-CB 4.49Å; W103-R139 WeakPolarHBondContact O-CB 3.32Å; W103-R139 VanDerWaalsContact O-CD 3.32Å; W103-R139 WeakPolarHBondContact O-CD 3.47Å |
| 104 | N | 90.4 | Very high | 82.3 | Confident | 24 Ų | 24 | 65 Ų | 65 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | trans | -78.2 | 142.7 | -175.7 | -68.9 | -20.4 | 0 | 0 | 0 | 111.2 | C99 G100 H101 C108 E135 | C99-N104 WeakPolarHBondContact CA-ND2 3.32Å; G100-N104 PolarHBondContact N-ND2 3.33Å; G100-N104 VanDerWaalsContact N-ND2 3.15Å; H101-N104 PolarHBondContact N-ND2 3.01Å; H101-N104 VanDerWaalsContact N-ND2 3.19Å; H101-N104 WeakPolarHBondContact O-CB 3.21Å; H101-N104 PolarHBondContact O-N 3.04Å; N104-C108 HydrophobicContact CB-CB 4.22Å; N104-E135 WeakPolarHBondContact CA-OE2 3.24Å | ||
| 105 | S | 86.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | trans | -77.3 | 160.2 | 172.8 | 89.2 | 0 | 0 | 0 | 0 | 111 | N107 C108 E135 | S105-N107 PolarHBondContact O-N 3.47Å; S105-N107 VanDerWaalsContact O-N 3.11Å; S105-N107 PolarHBondContact OG-N 3.17Å; S105-N107 VanDerWaalsContact OG-N 3.09Å; S105-C108 WeakPolarHBondContact O-CB 3.39Å; S105-C108 PolarHBondContact O-N 2.89Å; S105-C108 VanDerWaalsContact O-N 3.14Å; S105-C108 PolarHBondContact OG-N 3.24Å; S105-E135 WeakPolarHBondContact CB-OE1 3.48Å; S105-E135 PolarHBondContact N-OE2 3.07Å; S105-E135 PolarHBondContact OG-OE1 2.88Å | ||
| 106 | P | 83.6 | Confident | 78.9 | Confident | 132 Ų | 132 | 71 Ų | 71 | 86% | 0.857 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15 | 171.5 | 26.9 | -35.3 | 0 | 0 | 0 | 113 | ||
| 107 | N | 81.2 | Confident | 77 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 56% | 0.556 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 6.1 | 179.6 | -65.6 | -10.7 | 0 | 0 | 0 | 113 | S105 T109 F130 | S105-N107 PolarHBondContact O-N 3.47Å; S105-N107 VanDerWaalsContact O-N 3.11Å; S105-N107 PolarHBondContact OG-N 3.17Å; S105-N107 VanDerWaalsContact OG-N 3.09Å; N107-T109 PolarHBondContact O-N 2.97Å; N107-F130 HydrophobicContact CB-CD2 4.33Å; N107-F130 HydrophobicContact CB-CG 4.48Å; N107-F130 WeakPolarHBondContact O-CB 3.4Å |
| 108 | C | 83.8 | Confident | 75.4 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 13% | 0.128 | 46% | 0.461 | C | S | . | . | trans | -61.8 | 125.1 | 175 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | C99 N104 S105 E135 | C99-C108 HydrophobicContact CB-CB 3.84Å; C99-C108 WeakPolarHBondContact CB-SG 3.29Å; C99-C108 WeakPolarHBondContact SG-CB 3.24Å; C99-C108 PolarHBondContact SG-O 3.44Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 3.48Å; N104-C108 HydrophobicContact CB-CB 4.22Å; S105-C108 WeakPolarHBondContact O-CB 3.39Å; S105-C108 PolarHBondContact O-N 2.89Å; S105-C108 VanDerWaalsContact O-N 3.14Å; S105-C108 PolarHBondContact OG-N 3.24Å; C108-E135 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 109 | T | 79.9 | Confident | 73.9 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 22% | 0.215 | 46% | 0.461 | C | S | . | . | trans | -114.3 | 119 | 178.9 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | N107 F130 P132 | N107-T109 PolarHBondContact O-N 2.97Å; T109-F130 PolarHBondContact N-O 3.15Å; T109-P132 WeakPolarHBondContact O-CD 3.21Å | ||
| 110 | D | 74.9 | Confident | 72.2 | Confident | 13 Ų | 13 | 75.7 Ų | 75.7 | 7% | 0.07 | 47% | 0.469 | C | S | . | . | trans | -86 | 121.9 | 176.9 | -171.9 | -26.5 | 0 | 0 | 0 | 110.6 | K112 L113 L114 | D110-K112 PolarHBondContact O-N 3.32Å; D110-K112 WeakPolarHBondContact OD1-CB 3.46Å; D110-K112 PolarHBondContact OD1-N 3.44Å; D110-L113 HydrophobicContact CB-CB 4.26Å; D110-L113 HydrophobicContact CB-CD1 3.84Å; D110-L113 HydrophobicContact CB-CG 4.44Å; D110-L113 PolarHBondContact O-N 2.9Å; D110-L114 PolarHBondContact O-N 3.17Å | ||
| 111 | P | 66.2 | Low | 70.4 | Confident | 64 Ų | 64 | 80 Ų | 80 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.3 | 177.2 | 13.4 | -23.6 | 0 | 0 | 0 | 114.6 | Y125 | P111-Y125 HydrophobicContact CB-CE2 3.81Å; P111-Y125 VanDerWaalsContact CB-OH 3.26Å; P111-Y125 WeakPolarHBondContact CB-OH 3.45Å; P111-Y125 WeakPolarHBondContact CD-OH 3.48Å; P111-Y125 WeakPolarHBondContact CG-OH 3.45Å |
| 112 | K | 66.6 | Low | 68.6 | Low | 160 Ų | 160 | 85.3 Ų | 85.3 | 70% | 0.696 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.4 | -177.9 | -63.7 | 178 | -175.9 | 168.9 | 0 | 113.2 | D110 | D110-K112 PolarHBondContact O-N 3.32Å; D110-K112 WeakPolarHBondContact OD1-CB 3.46Å; D110-K112 PolarHBondContact OD1-N 3.44Å |
| 113 | L | 63.4 | Low | 66.7 | Low | 140 Ų | 140 | 82.6 Ų | 82.6 | 73% | 0.733 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -8 | -177.3 | -76.2 | 156.1 | 0 | 0 | 0 | 112.4 | D110 N115 | D110-L113 HydrophobicContact CB-CB 4.26Å; D110-L113 HydrophobicContact CB-CD1 3.84Å; D110-L113 HydrophobicContact CB-CG 4.44Å; D110-L113 PolarHBondContact O-N 2.9Å; L113-N115 PolarHBondContact O-N 3.29Å |
| 114 | L | 63 | Low | 64.7 | Low | 46 Ų | 46 | 87 Ų | 87 | 24% | 0.241 | 49% | 0.492 | C | S | . | . | trans | -79.7 | 107.5 | 177.6 | -119.9 | 108.1 | 0 | 0 | 0 | 110.6 | D110 V118 L119 | D110-L114 PolarHBondContact O-N 3.17Å; L114-V118 HydrophobicContact CD2-CB 4.46Å; L114-V118 HydrophobicContact CD2-CG1 4.46Å; L114-L119 HydrophobicContact CD2-CD1 3.66Å | ||
| 115 | N | 55.6 | Low | 62.9 | Low | 118 Ų | 118 | 90.2 Ų | 90.2 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | trans | -65.3 | 138 | 167.6 | -78.3 | -29.4 | 0 | 0 | 0 | 110.1 | L113 S117 V118 | L113-N115 PolarHBondContact O-N 3.29Å; N115-S117 PolarHBondContact O-N 3.05Å; N115-V118 PolarHBondContact O-N 3.37Å | ||
| 116 | A | 55.3 | Low | 61.1 | Low | 92 Ų | 92 | 94.8 Ų | 94.8 | 76% | 0.76 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -17.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 117 | S | 53.1 | Low | 59.4 | Low | 105 Ų | 105 | 96.5 Ų | 96.5 | 73% | 0.734 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -20.7 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | N115 | N115-S117 PolarHBondContact O-N 3.05Š|
| 118 | V | 54.6 | Low | 58.2 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.1 | 176.8 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | L114 N115 G120 | L114-V118 HydrophobicContact CD2-CB 4.46Å; L114-V118 HydrophobicContact CD2-CG1 4.46Å; N115-V118 PolarHBondContact O-N 3.37Å; V118-G120 VanDerWaalsContact C-N 3.31Å; V118-G120 PolarHBondContact O-N 2.99Å; V118-G120 VanDerWaalsContact O-N 3.09Å |
| 119 | L | 55.2 | Low | 56.9 | Low | 64 Ų | 64 | 103 Ų | 103 | 34% | 0.335 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -84.3 | 75.3 | 173.9 | -139.7 | 90.5 | 0 | 0 | 0 | 108.6 | L114 T123 Y128 | L114-L119 HydrophobicContact CD2-CD1 3.66Å; L119-T123 WeakPolarHBondContact CD2-O 3.13Å; L119-T123 WeakPolarHBondContact CG-O 3.27Å; L119-Y128 HydrophobicContact CD1-CE2 4.4Å |
| 120 | G | 48.5 | Very low | 56.7 | Low | 41 Ų | 41 | 105.5 Ų | 105.5 | 42% | 0.423 | 56% | 0.556 | S | S | . | * | trans | -49.7 | 145.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | V118 H122 T123 | V118-G120 VanDerWaalsContact C-N 3.31Å; V118-G120 PolarHBondContact O-N 2.99Å; V118-G120 VanDerWaalsContact O-N 3.09Å; G120-H122 PolarHBondContact O-N 3.45Å; G120-T123 PolarHBondContact O-N 3.31Å; G120-T123 PolarHBondContact O-OG1 3.29Å; G120-T123 VanDerWaalsContact O-OG1 3.06Å | ||
| 121 | D | 47.5 | Very low | 57.2 | Low | 166 Ų | 166 | 106.5 Ų | 106.5 | 89% | 0.888 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.5 | -6.8 | -165.3 | -107.2 | -23.4 | 0 | 0 | 0 | 117.8 | ||
| 122 | H | 51.5 | Low | 58.2 | Low | 180 Ų | 180 | 103.7 Ų | 103.7 | 83% | 0.833 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | 4.6 | -177.5 | -65.6 | -94.5 | 0 | 0 | 0 | 115 | G120 K124 | G120-H122 PolarHBondContact O-N 3.45Å; H122-K124 PolarHBondContact O-N 3.19Å |
| 123 | T | 49.7 | Very low | 59.3 | Low | 50 Ų | 50 | 98.3 Ų | 98.3 | 31% | 0.307 | 53% | 0.53 | S | S | . | . | trans | -96.3 | 97.5 | -179 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | L119 G120 Y125 | L119-T123 WeakPolarHBondContact CD2-O 3.13Å; L119-T123 WeakPolarHBondContact CG-O 3.27Å; G120-T123 PolarHBondContact O-N 3.31Å; G120-T123 PolarHBondContact O-OG1 3.29Å; G120-T123 VanDerWaalsContact O-OG1 3.06Å; T123-Y125 PolarHBondContact O-N 2.86Å | ||
| 124 | K | 48.1 | Very low | 60.6 | Low | 168 Ų | 168 | 93 Ų | 93 | 73% | 0.73 | 51% | 0.506 | S | S | * | . | trans | -60.4 | 130.4 | 169.5 | -70.5 | -177.2 | 179.1 | -179.4 | 0 | 109.6 | H122 S126 K127 | H122-K124 PolarHBondContact O-N 3.19Å; K124-S126 PolarHBondContact O-N 2.92Å; K124-K127 PolarHBondContact O-N 2.59Å | ||
| 125 | Y | 51.6 | Low | 61.9 | Low | 91 Ų | 91 | 90.9 Ų | 90.9 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -47.3 | -27.2 | 174.6 | -178.9 | -94.6 | 0 | 0 | 0 | 113.6 | P111 T123 K127 Y128 T131 | P111-Y125 HydrophobicContact CB-CE2 3.81Å; P111-Y125 VanDerWaalsContact CB-OH 3.26Å; P111-Y125 WeakPolarHBondContact CB-OH 3.45Å; P111-Y125 WeakPolarHBondContact CD-OH 3.48Å; P111-Y125 WeakPolarHBondContact CG-OH 3.45Å; T123-Y125 PolarHBondContact O-N 2.86Å; Y125-K127 PolarHBondContact O-N 3.4Å; Y125-Y128 PolarHBondContact O-N 3.33Å; Y125-T131 HydrophobicContact CE1-CG2 4.37Å |
| 126 | S | 49.1 | Very low | 63.7 | Low | 108 Ų | 108 | 85.4 Ų | 85.4 | 76% | 0.755 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -63.8 | -2.6 | 176.6 | 85.5 | 0 | 0 | 0 | 0 | 115.4 | K124 | K124-S126 PolarHBondContact O-N 2.92Š|
| 127 | K | 47.9 | Very low | 65.5 | Low | 169 Ų | 169 | 85.2 Ų | 85.2 | 74% | 0.735 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -84.7 | -15 | 176.8 | -154.9 | 174.7 | -178.5 | -177.5 | 0 | 113 | K124 Y125 K129 | K124-K127 PolarHBondContact O-N 2.59Å; Y125-K127 PolarHBondContact O-N 3.4Å; K127-K129 PolarHBondContact O-N 2.95Å |
| 128 | Y | 56.3 | Low | 67.3 | Low | 84 Ų | 84 | 84.6 Ų | 84.6 | 33% | 0.329 | 43% | 0.432 | S | S | . | . | trans | -93.1 | 99 | 178.1 | -58.1 | -76 | 0 | 0 | 0 | 110.1 | L119 Y125 F130 | L119-Y128 HydrophobicContact CD1-CE2 4.4Å; Y125-Y128 PolarHBondContact O-N 3.33Å; Y128-F130 PolarHBondContact O-N 3.03Å | ||
| 129 | K | 57.5 | Low | 69.1 | Low | 175 Ų | 175 | 83.8 Ų | 83.8 | 76% | 0.761 | 42% | 0.418 | S | S | * | . | trans | -65.7 | -12.9 | 177.1 | -81.7 | -176.1 | 172.1 | -175.3 | 0 | 114 | K127 | K127-K129 PolarHBondContact O-N 2.95Š| ||
| 130 | F | 74.1 | Confident | 70.8 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 38% | 0.382 | 41% | 0.406 | S | S | . | . | trans | -106.7 | 57 | -168.1 | -54.5 | -73.8 | 0 | 0 | 0 | 112.4 | N107 T109 Y128 E135 | N107-F130 HydrophobicContact CB-CD2 4.33Å; N107-F130 HydrophobicContact CB-CG 4.48Å; N107-F130 WeakPolarHBondContact O-CB 3.4Å; T109-F130 PolarHBondContact N-O 3.15Å; Y128-F130 PolarHBondContact O-N 3.03Å; F130-E135 HydrophobicContact CB-CG 4.45Å | ||
| 131 | T | 85.3 | Confident | 72.9 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | trans | -76.6 | 153.6 | 172.6 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | Y125 A133 A134 E135 | Y125-T131 HydrophobicContact CE1-CG2 4.37Å; T131-A133 PolarHBondContact O-N 3.02Å; T131-A133 VanDerWaalsContact O-N 3.15Å; T131-A134 PolarHBondContact O-N 3.17Å; T131-A134 VanDerWaalsContact O-N 3.08Å; T131-A134 VanDerWaalsContact OG1-CB 3.31Å; T131-A134 WeakPolarHBondContact OG1-CB 3.35Å; T131-A134 PolarHBondContact OG1-N 2.8Å; T131-E135 PolarHBondContact O-N 2.84Å | ||
| 132 | P | 88.6 | Confident | 75 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.032 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.4 | -35.6 | 178.9 | -21.8 | 28.4 | 0 | 0 | 0 | 112.8 | T109 F136 | T109-P132 WeakPolarHBondContact O-CD 3.21Å; P132-F136 WeakPolarHBondContact O-CB 3.31Å; P132-F136 PolarHBondContact O-N 2.81Å |
| 133 | A | 90.1 | Very high | 76.9 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.2 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W96 T131 Y137 | W96-A133 HydrophobicContact CB-CB 4.06Å; T131-A133 PolarHBondContact O-N 3.02Å; T131-A133 VanDerWaalsContact O-N 3.15Å; A133-Y137 PolarHBondContact O-N 3.49Å; A133-Y137 VanDerWaalsContact O-N 3.07Å |
| 134 | A | 89.1 | Confident | 78.8 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | T131 Y137 E138 | T131-A134 PolarHBondContact O-N 3.17Å; T131-A134 VanDerWaalsContact O-N 3.08Å; T131-A134 VanDerWaalsContact OG1-CB 3.31Å; T131-A134 WeakPolarHBondContact OG1-CB 3.35Å; T131-A134 PolarHBondContact OG1-N 2.8Å; A134-Y137 PolarHBondContact O-N 2.92Å; A134-E138 WeakPolarHBondContact O-CB 3.45Å; A134-E138 WeakPolarHBondContact O-CG 3.2Å; A134-E138 PolarHBondContact O-N 3.49Å |
| 135 | E | 91.1 | Very high | 80.6 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 177.3 | -69.4 | -153.9 | 164 | 0 | 0 | 112.4 | N104 S105 C108 F130 T131 Y137 R139 G140 | N104-E135 WeakPolarHBondContact CA-OE2 3.24Å; S105-E135 WeakPolarHBondContact CB-OE1 3.48Å; S105-E135 PolarHBondContact N-OE2 3.07Å; S105-E135 PolarHBondContact OG-OE1 2.88Å; C108-E135 WeakPolarHBondContact CB-OE2 3.49Å; F130-E135 HydrophobicContact CB-CG 4.45Å; T131-E135 PolarHBondContact O-N 2.84Å; E135-Y137 VanDerWaalsContact C-N 3.33Å; E135-Y137 PolarHBondContact O-N 3.45Å; E135-R139 WeakPolarHBondContact O-CA 3.27Å; E135-R139 VanDerWaalsContact O-CB 3.3Å; E135-R139 WeakPolarHBondContact O-CB 3.47Å; E135-R139 PolarHBondContact O-N 3.35Å; E135-G140 PolarHBondContact O-N 2.87Å; E135-G140 VanDerWaalsContact O-N 3.17Å |
| 136 | F | 92.9 | Very high | 82.3 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.013 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -59.5 | -45.3 | 172.8 | -177.5 | -104.1 | 0 | 0 | 0 | 111.2 | Y84 Y85 A88 P95 W96 W103 P132 G140 V141 | Y84-F136 AromaticContact CE1-CZ 3.98Å; Y84-F136 HydrophobicContact CE1-CZ 3.98Å; Y85-F136 HydrophobicContact CD1-CE1 4.11Å; Y85-F136 AromaticContact CE1-CD1 3.66Å; Y85-F136 HydrophobicContact CE1-CD1 3.66Å; Y85-F136 AromaticContact CE1-CE1 3.49Å; Y85-F136 HydrophobicContact CE1-CE1 3.49Å; Y85-F136 VanDerWaalsContact CE1-CE1 3.49Å; Y85-F136 HydrophobicContact CE2-CE1 4.47Å; Y85-F136 AromaticContact CZ-CD1 3.73Å; Y85-F136 AromaticContact CZ-CE1 3.69Å; Y85-F136 WeakPolarHBondContact OH-CD1 3.47Å; A88-F136 HydrophobicContact CB-CZ 4.38Å; P95-F136 HydrophobicContact CB-CD2 4.13Å; P95-F136 HydrophobicContact CB-CE2 3.7Å; P95-F136 HydrophobicContact CB-CZ 4.21Å; P95-F136 HydrophobicContact CG-CD2 4.45Å; P95-F136 HydrophobicContact CG-CE1 4.4Å; P95-F136 HydrophobicContact CG-CE2 3.76Å; P95-F136 HydrophobicContact CG-CZ 3.72Å; W96-F136 HydrophobicContact CB-CB 3.92Å; W96-F136 HydrophobicContact CB-CD1 4.09Å; W96-F136 HydrophobicContact CB-CG 4.06Å; W96-F136 HydrophobicContact CD2-CD1 4.41Å; W96-F136 AromaticContact CE3-CD1 3.62Å; W96-F136 HydrophobicContact CE3-CD1 3.62Å; W96-F136 AromaticContact CE3-CE1 3.41Å; W96-F136 HydrophobicContact CE3-CE1 3.41Å; W96-F136 VanDerWaalsContact CE3-CE1 3.41Å; W96-F136 HydrophobicContact CE3-CG 4.4Å; W96-F136 HydrophobicContact CE3-CZ 4.03Å; W96-F136 HydrophobicContact CZ3-CD1 4.42Å; W96-F136 AromaticContact CZ3-CE1 3.79Å; W96-F136 HydrophobicContact CZ3-CE1 3.79Å; W96-F136 HydrophobicContact CZ3-CZ 4.28Å; W103-F136 AromaticContact CE2-CD2 3.69Å; W103-F136 HydrophobicContact CH2-CE2 4.42Å; W103-F136 AromaticContact CZ2-CD2 3.74Å; W103-F136 HydrophobicContact CZ2-CD2 3.74Å; W103-F136 AromaticContact CZ2-CE2 3.93Å; W103-F136 HydrophobicContact CZ2-CE2 3.93Å; W103-F136 AromaticContact NE1-CD2 3.65Å; P132-F136 WeakPolarHBondContact O-CB 3.31Å; P132-F136 PolarHBondContact O-N 2.81Å; F136-G140 CarbonylContact O-C 3.54Å; F136-G140 WeakPolarHBondContact O-CA 3.49Å; F136-G140 PolarHBondContact O-N 3.26Å; F136-V141 HydrophobicContact CD1-CG2 3.97Å; F136-V141 HydrophobicContact CE1-CG2 3.61Å; F136-V141 HydrophobicContact CZ-CG2 4Å; F136-V141 WeakPolarHBondContact O-CG2 3.28Å; F136-V141 PolarHBondContact O-N 2.78Å |
| 137 | Y | 93.6 | Very high | 84.3 | Confident | 88 Ų | 88 | 63 Ų | 63 | 35% | 0.345 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -65.8 | -52.8 | 177.1 | -178 | -108.8 | 0 | 0 | 0 | 112.6 | W81 Y85 A133 A134 E135 L142 | W81-Y137 HydrophobicContact CE3-CE2 4.41Å; W81-Y137 VanDerWaalsContact CZ3-OH 3.31Å; W81-Y137 WeakPolarHBondContact CZ3-OH 3.27Å; Y85-Y137 HydrophobicContact CE2-CD2 4.09Å; Y85-Y137 WeakPolarHBondContact OH-CA 3.33Å; Y85-Y137 WeakPolarHBondContact OH-CB 3.32Å; A133-Y137 PolarHBondContact O-N 3.49Å; A133-Y137 VanDerWaalsContact O-N 3.07Å; A134-Y137 PolarHBondContact O-N 2.92Å; E135-Y137 VanDerWaalsContact C-N 3.33Å; E135-Y137 PolarHBondContact O-N 3.45Å; Y137-L142 HydrophobicContact CD1-CD1 3.99Å; Y137-L142 HydrophobicContact CE1-CD1 3.49Å; Y137-L142 VanDerWaalsContact CE1-CD1 3.49Å; Y137-L142 HydrophobicContact CE2-CD1 4.11Å; Y137-L142 HydrophobicContact CE2-CG 4.4Å; Y137-L142 WeakPolarHBondContact O-CB 3.48Å; Y137-L142 WeakPolarHBondContact O-CG 3.33Å; Y137-L142 PolarHBondContact O-N 2.67Å |
| 138 | E | 91.8 | Very high | 86.2 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -74 | -44.1 | -173 | -68.6 | -177.2 | 177.8 | 0 | 0 | 112.9 | A134 H143 L144 | A134-E138 WeakPolarHBondContact O-CB 3.45Å; A134-E138 WeakPolarHBondContact O-CG 3.2Å; A134-E138 PolarHBondContact O-N 3.49Å; E138-H143 PolarHBondContact O-N 3.31Å; E138-L144 WeakPolarHBondContact O-CB 3.27Å; E138-L144 PolarHBondContact O-N 3.01Å |
| 139 | R | 91.4 | Very high | 87.7 | Confident | 77 Ų | 77 | 57.5 Ų | 57.5 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -99 | -41 | -175.3 | -63.2 | -177 | 161 | -143.6 | -5.8 | 113 | W103 E135 H143 H145 | W103-R139 HydrophobicContact CB-CB 4.49Å; W103-R139 WeakPolarHBondContact O-CB 3.32Å; W103-R139 VanDerWaalsContact O-CD 3.32Å; W103-R139 WeakPolarHBondContact O-CD 3.47Å; E135-R139 WeakPolarHBondContact O-CA 3.27Å; E135-R139 VanDerWaalsContact O-CB 3.3Å; E135-R139 WeakPolarHBondContact O-CB 3.47Å; E135-R139 PolarHBondContact O-N 3.35Å; R139-H143 WeakPolarHBondContact O-CA 3.48Å; R139-H143 PolarHBondContact O-CD2 2.96Å; R139-H145 HydrophobicContact CG-CB 4.33Å |
| 140 | G | 90.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -78.7 | -42.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E135 F136 H143 | E135-G140 PolarHBondContact O-N 2.87Å; E135-G140 VanDerWaalsContact O-N 3.17Å; F136-G140 CarbonylContact O-C 3.54Å; F136-G140 WeakPolarHBondContact O-CA 3.49Å; F136-G140 PolarHBondContact O-N 3.26Å; G140-H143 PolarHBondContact O-CD2 3.08Å; G140-H143 PolarHBondContact O-NE2 3.36Å |
| 141 | V | 93.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -93 | -51.8 | -177.4 | -178 | 0 | 0 | 0 | 0 | 111.2 | Y84 Y85 F136 L160 | Y84-V141 HydrophobicContact CD1-CG1 4.11Å; Y84-V141 HydrophobicContact CD1-CG2 3.87Å; Y84-V141 HydrophobicContact CE1-CG1 4.45Å; Y84-V141 HydrophobicContact CE1-CG2 3.67Å; Y85-V141 HydrophobicContact CE2-CG1 4.44Å; Y85-V141 HydrophobicContact CE2-CG2 3.85Å; F136-V141 HydrophobicContact CD1-CG2 3.97Å; F136-V141 HydrophobicContact CE1-CG2 3.61Å; F136-V141 HydrophobicContact CZ-CG2 4Å; F136-V141 WeakPolarHBondContact O-CG2 3.28Å; F136-V141 PolarHBondContact O-N 2.78Å; V141-L160 HydrophobicContact CG1-CD1 4.41Å; V141-L160 HydrophobicContact CG1-CD2 4.05Å; V141-L160 WeakPolarHBondContact O-CD1 3.5Å |
| 142 | L | 92 | Very high | 90.3 | Very high | 48 Ų | 48 | 63.9 Ų | 63.9 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -88.8 | -19.2 | -172.8 | -64.5 | -179.9 | 0 | 0 | 0 | 114.1 | W81 Y137 L144 | W81-L142 HydrophobicContact CD2-CD2 4.2Å; W81-L142 HydrophobicContact CH2-CD2 4.25Å; W81-L142 HydrophobicContact CZ2-CD2 3.57Å; Y137-L142 HydrophobicContact CD1-CD1 3.99Å; Y137-L142 HydrophobicContact CE1-CD1 3.49Å; Y137-L142 VanDerWaalsContact CE1-CD1 3.49Å; Y137-L142 HydrophobicContact CE2-CD1 4.11Å; Y137-L142 HydrophobicContact CE2-CG 4.4Å; Y137-L142 WeakPolarHBondContact O-CB 3.48Å; Y137-L142 WeakPolarHBondContact O-CG 3.33Å; Y137-L142 PolarHBondContact O-N 2.67Å; L142-L144 PolarHBondContact O-N 3.16Å |
| 143 | H | 90.9 | Very high | 90.2 | Very high | 45 Ų | 45 | 70.2 Ų | 70.2 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | trans | 50.3 | 36.5 | -172.4 | -74.3 | -145.4 | 0 | 0 | 0 | 112.7 | E138 R139 G140 H145 E146 Q157 | E138-H143 PolarHBondContact O-N 3.31Å; R139-H143 WeakPolarHBondContact O-CA 3.48Å; R139-H143 PolarHBondContact O-CD2 2.96Å; G140-H143 PolarHBondContact O-CD2 3.08Å; G140-H143 PolarHBondContact O-NE2 3.36Å; H143-H145 PolarHBondContact O-N 3.09Å; H143-E146 HydrophobicContact CB-CG 4.32Å; H143-E146 IonicContact CE1-OE1 2.73Å; H143-E146 IonicContact CG-OE1 3.81Å; H143-E146 IonicContact ND1-OE1 3.52Å; H143-E146 PolarHBondContact ND1-OE1 2.65Å; H143-E146 IonicContact ND1-OE2 3.1Å; H143-E146 WeakPolarHBondContact O-CB 3.46Å; H143-E146 PolarHBondContact O-N 3.45Å; H143-Q157 HydrophobicContact CB-CG 4.24Å; H143-Q157 PolarHBondContact CE1-OE1 3.5Å; H143-Q157 VanDerWaalsContact CE1-OE1 3.29Å; H143-Q157 VanDerWaalsContact CG-CD 3.47Å; H143-Q157 VanDerWaalsContact CG-NE2 3.35Å; H143-Q157 PolarHBondContact ND1-NE2 3.09Å; H143-Q157 PolarHBondContact ND1-OE1 3.21Å | ||
| 144 | L | 89.1 | Confident | 90.1 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -60.3 | -25.8 | -174.7 | -172.9 | 63.1 | 0 | 0 | 0 | 112.7 | E138 L142 E146 S147 | E138-L144 WeakPolarHBondContact O-CB 3.27Å; E138-L144 PolarHBondContact O-N 3.01Å; L142-L144 PolarHBondContact O-N 3.16Å; L144-E146 PolarHBondContact O-N 3.14Å; L144-S147 PolarHBondContact O-N 3.11Å |
| 145 | H | 87.1 | Confident | 90 | Very high | 97 Ų | 97 | 75.2 Ų | 75.2 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -67.9 | -16.6 | 177.2 | 69.2 | -76.2 | 0 | 0 | 0 | 114.5 | R139 H143 | R139-H145 HydrophobicContact CG-CB 4.33Å; H143-H145 PolarHBondContact O-N 3.09Å |
| 146 | E | 87.7 | Confident | 89.9 | Confident | 100 Ų | 100 | 79 Ų | 79 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -84.2 | -14.7 | 175.7 | -62.3 | 178 | -179.4 | 0 | 0 | 112.4 | H143 L144 Q157 | H143-E146 HydrophobicContact CB-CG 4.32Å; H143-E146 IonicContact CE1-OE1 2.73Å; H143-E146 IonicContact CG-OE1 3.81Å; H143-E146 IonicContact ND1-OE1 3.52Å; H143-E146 PolarHBondContact ND1-OE1 2.65Å; H143-E146 IonicContact ND1-OE2 3.1Å; H143-E146 WeakPolarHBondContact O-CB 3.46Å; H143-E146 PolarHBondContact O-N 3.45Å; L144-E146 PolarHBondContact O-N 3.14Å; E146-Q157 PolarHBondContact OE2-NE2 3.29Å |
| 147 | S | 90.5 | Very high | 89.8 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | trans | -103.9 | 130.5 | -178.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L144 G149 D152 | L144-S147 PolarHBondContact O-N 3.11Å; S147-G149 VanDerWaalsContact C-N 3.28Å; S147-G149 PolarHBondContact OG-N 3.19Å; S147-G149 PolarHBondContact OG-O 3.15Å; S147-D152 WeakPolarHBondContact CA-O 3.17Å; S147-D152 VanDerWaalsContact CB-O 3.28Å; S147-D152 WeakPolarHBondContact CB-O 3.31Å; S147-D152 PolarHBondContact OG-O 2.75Å | ||
| 148 | S | 87.6 | Confident | 89.8 | Confident | 103 Ų | 103 | 85.3 Ų | 85.3 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | trans | -84 | -2.8 | 174.7 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | D152 | S148-D152 VanDerWaalsContact OG-CB 3.25Å; S148-D152 WeakPolarHBondContact OG-CB 3.37Å; S148-D152 PolarHBondContact OG-OD2 2.56Å | ||
| 149 | G | 88.6 | Confident | 89.9 | Confident | 33 Ų | 33 | 85.7 Ų | 85.7 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | 144.1 | -165.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S147 H151 D152 | S147-G149 VanDerWaalsContact C-N 3.28Å; S147-G149 PolarHBondContact OG-N 3.19Å; S147-G149 PolarHBondContact OG-O 3.15Å; G149-H151 PolarHBondContact O-N 2.9Å; G149-H151 VanDerWaalsContact O-N 3.17Å; G149-D152 CarbonylContact O-C 3.37Å; G149-D152 PolarHBondContact O-N 3.14Å; G149-D152 VanDerWaalsContact O-O 3.06Å |
| 150 | I | 89.9 | Confident | 90.1 | Very high | 161 Ų | 161 | 83.3 Ų | 83.3 | 83% | 0.826 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.5 | -177.6 | -60.5 | 171.1 | 0 | 0 | 0 | 112.3 | D152 I153 | I150-D152 PolarHBondContact O-N 3.11Å; I150-I153 WeakPolarHBondContact O-CG2 3.1Å |
| 151 | H | 91.6 | Very high | 90.3 | Very high | 195 Ų | 195 | 86.1 Ų | 86.1 | 90% | 0.903 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19.4 | 177.6 | -59.9 | -55.7 | 0 | 0 | 0 | 113.2 | G149 | G149-H151 PolarHBondContact O-N 2.9Å; G149-H151 VanDerWaalsContact O-N 3.17Å |
| 152 | D | 89.8 | Confident | 90.4 | Very high | 75 Ų | 75 | 91.2 Ų | 91.2 | 40% | 0.401 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -142.6 | 77.8 | -173 | 177.2 | 25.3 | 0 | 0 | 0 | 108.9 | S147 S148 G149 I150 G154 | S147-D152 WeakPolarHBondContact CA-O 3.17Å; S147-D152 VanDerWaalsContact CB-O 3.28Å; S147-D152 WeakPolarHBondContact CB-O 3.31Å; S147-D152 PolarHBondContact OG-O 2.75Å; S148-D152 VanDerWaalsContact OG-CB 3.25Å; S148-D152 WeakPolarHBondContact OG-CB 3.37Å; S148-D152 PolarHBondContact OG-OD2 2.56Å; G149-D152 CarbonylContact O-C 3.37Å; G149-D152 PolarHBondContact O-N 3.14Å; G149-D152 VanDerWaalsContact O-O 3.06Å; I150-D152 PolarHBondContact O-N 3.11Å; D152-G154 PolarHBondContact O-N 2.91Å |
| 153 | I | 86.1 | Confident | 90.7 | Very high | 138 Ų | 138 | 89.2 Ų | 89.2 | 71% | 0.708 | 47% | 0.47 | S | S | * | . | trans | -74.7 | -4.5 | -174.1 | 57.1 | 173.7 | 0 | 0 | 0 | 113.7 | I150 | I150-I153 WeakPolarHBondContact O-CG2 3.1Š| ||
| 154 | G | 87.3 | Confident | 91 | Very high | 35 Ų | 35 | 89 Ų | 89 | 36% | 0.361 | 47% | 0.47 | S | S | . | . | trans | 65.7 | -161.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D152 | D152-G154 PolarHBondContact O-N 2.91Š| ||
| 155 | L | 87.6 | Confident | 91.3 | Very high | 145 Ų | 145 | 89.5 Ų | 89.5 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 148.1 | 179.1 | -68.9 | 173.2 | 0 | 0 | 0 | 111.5 | Q157 | L155-Q157 PolarHBondContact O-N 3.23Š|
| 156 | P | 88.5 | Confident | 91.8 | Very high | 82 Ų | 82 | 87.7 Ų | 87.7 | 53% | 0.532 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 130.5 | 175.7 | 27.3 | -33.4 | 0 | 0 | 0 | 110.9 | W158 | P156-W158 PolarHBondContact O-N 3.1Š|
| 157 | Q | 90.9 | Very high | 92.3 | Very high | 34 Ų | 34 | 83.4 Ų | 83.4 | 16% | 0.159 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 117.4 | 175.8 | -65.7 | -58.2 | -39.2 | 0 | 0 | 110.6 | H143 E146 L155 Q159 L160 L161 | H143-Q157 HydrophobicContact CB-CG 4.24Å; H143-Q157 PolarHBondContact CE1-OE1 3.5Å; H143-Q157 VanDerWaalsContact CE1-OE1 3.29Å; H143-Q157 VanDerWaalsContact CG-CD 3.47Å; H143-Q157 VanDerWaalsContact CG-NE2 3.35Å; H143-Q157 PolarHBondContact ND1-NE2 3.09Å; H143-Q157 PolarHBondContact ND1-OE1 3.21Å; E146-Q157 PolarHBondContact OE2-NE2 3.29Å; L155-Q157 PolarHBondContact O-N 3.23Å; Q157-Q159 VanDerWaalsContact C-N 3.27Å; Q157-Q159 PolarHBondContact O-N 3.12Å; Q157-L160 HydrophobicContact CB-CB 4.29Å; Q157-L160 HydrophobicContact CB-CD1 4.26Å; Q157-L160 HydrophobicContact CB-CG 4.21Å; Q157-L160 PolarHBondContact O-N 3.16Å; Q157-L160 VanDerWaalsContact O-N 3.13Å; Q157-L161 PolarHBondContact O-N 3.08Å |
| 158 | W | 93.6 | Very high | 92.5 | Very high | 190 Ų | 190 | 85.7 Ų | 85.7 | 72% | 0.72 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.3 | -32.1 | -173.7 | -66.7 | 104.2 | 0 | 0 | 0 | 113.4 | P156 L161 L162 | P156-W158 PolarHBondContact O-N 3.1Å; W158-L161 HydrophobicContact CE3-CD2 3.56Å; W158-L161 HydrophobicContact CZ3-CD2 3.57Å; W158-L161 WeakPolarHBondContact O-CB 3.1Å; W158-L161 PolarHBondContact O-N 2.81Å; W158-L162 PolarHBondContact O-N 3.39Å |
| 159 | Q | 94.4 | Very high | 92.9 | Very high | 99 Ų | 99 | 84.7 Ų | 84.7 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 176.1 | -59.7 | 85.6 | -21.7 | 0 | 0 | 111 | Y84 Q157 L162 C163 | Y84-Q159 HydrophobicContact CD2-CB 4.18Å; Y84-Q159 HydrophobicContact CE2-CB 3.78Å; Y84-Q159 HydrophobicContact CE2-CG 4.34Å; Q157-Q159 VanDerWaalsContact C-N 3.27Å; Q157-Q159 PolarHBondContact O-N 3.12Å; Q159-L162 PolarHBondContact O-N 3.32Å; Q159-C163 PolarHBondContact O-N 3.47Å; Q159-C163 PolarHBondContact O-SG 3.04Å |
| 160 | L | 94.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 87 Ų | 87 | 14% | 0.141 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -69.3 | -35.6 | 176.2 | -66.5 | -174.5 | 0 | 0 | 0 | 111.6 | Y84 V141 Q157 L162 C163 L164 | Y84-L160 HydrophobicContact CD2-CD2 4.21Å; Y84-L160 HydrophobicContact CG-CD2 4.08Å; V141-L160 HydrophobicContact CG1-CD1 4.41Å; V141-L160 HydrophobicContact CG1-CD2 4.05Å; V141-L160 WeakPolarHBondContact O-CD1 3.5Å; Q157-L160 HydrophobicContact CB-CB 4.29Å; Q157-L160 HydrophobicContact CB-CD1 4.26Å; Q157-L160 HydrophobicContact CB-CG 4.21Å; Q157-L160 PolarHBondContact O-N 3.16Å; Q157-L160 VanDerWaalsContact O-N 3.13Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-C163 PolarHBondContact O-N 2.91Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 PolarHBondContact O-N 2.71Å |
| 161 | L | 95.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 82.5 Ų | 82.5 | 35% | 0.351 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.3 | -173.8 | 70.1 | 0 | 0 | 0 | 111.1 | Q157 W158 L164 M165 | Q157-L161 PolarHBondContact O-N 3.08Å; W158-L161 HydrophobicContact CE3-CD2 3.56Å; W158-L161 HydrophobicContact CZ3-CD2 3.57Å; W158-L161 WeakPolarHBondContact O-CB 3.1Å; W158-L161 PolarHBondContact O-N 2.81Å; L161-L164 PolarHBondContact O-N 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.4Å; L161-M165 PolarHBondContact O-N 3.25Å |
| 162 | L | 96.4 | Very high | 93.4 | Very high | 112 Ų | 112 | 79.3 Ų | 79.3 | 59% | 0.586 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.6 | -46.7 | 176.1 | -171.1 | 156.7 | 0 | 0 | 0 | 111.2 | W158 Q159 L160 L164 M165 V166 | W158-L162 PolarHBondContact O-N 3.39Å; Q159-L162 PolarHBondContact O-N 3.32Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 2.93Å; L162-M165 WeakPolarHBondContact O-CB 3.47Å; L162-M165 PolarHBondContact O-N 3.39Å; L162-V166 HydrophobicContact CD2-CG2 4.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.5Å; L162-V166 PolarHBondContact O-N 2.88Å |
| 163 | C | 97.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 80.1 Ų | 80.1 | 3% | 0.034 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 174.6 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | A80 L83 Q159 L160 V166 V167 | A80-C163 HydrophobicContact CB-CB 4.06Å; L83-C163 HydrophobicContact CD2-CB 4.2Å; Q159-C163 PolarHBondContact O-N 3.47Å; Q159-C163 PolarHBondContact O-SG 3.04Å; L160-C163 PolarHBondContact O-N 2.91Å; C163-V166 PolarHBondContact O-N 3.02Å; C163-V167 WeakPolarHBondContact O-CG2 3.41Å; C163-V167 PolarHBondContact O-N 3.47Å |
| 164 | L | 96.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 74.5 Ų | 74.5 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.2 | -177.8 | 63.9 | 0 | 0 | 0 | 111.8 | N76 A80 L160 L161 L162 V166 V167 I168 | N76-L164 HydrophobicContact CB-CD1 3.94Å; A80-L164 HydrophobicContact CB-CB 4.04Å; A80-L164 HydrophobicContact CB-CD1 4.33Å; L160-L164 WeakPolarHBondContact O-CB 3.43Å; L160-L164 PolarHBondContact O-N 2.71Å; L161-L164 PolarHBondContact O-N 3.27Å; L162-L164 VanDerWaalsContact C-N 3.29Å; L162-L164 PolarHBondContact O-N 2.93Å; L164-V166 VanDerWaalsContact C-N 3.32Å; L164-V166 PolarHBondContact O-N 3.49Å; L164-V167 PolarHBondContact O-N 2.86Å; L164-I168 HydrophobicContact CD1-CD1 4.39Å; L164-I168 HydrophobicContact CG-CD1 4.05Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 2.9Å |
| 165 | M | 97.1 | Very high | 94.1 | Very high | 108 Ų | 108 | 77.7 Ų | 77.7 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.5 | -72.6 | -62.5 | -66.9 | 0 | 0 | 111.5 | L161 L162 I168 V169 | L161-M165 WeakPolarHBondContact O-CG 3.4Å; L161-M165 PolarHBondContact O-N 3.25Å; L162-M165 WeakPolarHBondContact O-CB 3.47Å; L162-M165 PolarHBondContact O-N 3.39Å; M165-I168 PolarHBondContact O-N 3.41Å; M165-V169 VanDerWaalsContact O-CG2 3.29Å; M165-V169 WeakPolarHBondContact O-CG2 3.45Å; M165-V169 PolarHBondContact O-N 3.23Å |
| 166 | V | 97.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 35% | 0.352 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111 | L83 L162 C163 L164 I168 V169 V170 | L83-V166 HydrophobicContact CD2-CB 3.97Å; L83-V166 HydrophobicContact CD2-CG1 3.81Å; L162-V166 HydrophobicContact CD2-CG2 4.15Å; L162-V166 WeakPolarHBondContact O-CG2 3.5Å; L162-V166 PolarHBondContact O-N 2.88Å; C163-V166 PolarHBondContact O-N 3.02Å; L164-V166 VanDerWaalsContact C-N 3.32Å; L164-V166 PolarHBondContact O-N 3.49Å; V166-I168 PolarHBondContact O-N 2.92Å; V166-V169 PolarHBondContact O-N 3.15Å; V166-V170 HydrophobicContact CG1-CG2 4.41Å; V166-V170 WeakPolarHBondContact O-CG2 3.4Å; V166-V170 PolarHBondContact O-N 3.24Å |
| 167 | V | 96.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 83.4 Ų | 83.4 | 7% | 0.067 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111 | N76 I79 L83 C163 L164 V169 V170 L171 | N76-V167 HydrophobicContact CB-CG1 4.46Å; I79-V167 HydrophobicContact CB-CG1 4.35Å; I79-V167 HydrophobicContact CB-CG2 4.39Å; I79-V167 HydrophobicContact CG2-CG1 4.01Å; I79-V167 HydrophobicContact CG2-CG2 3.7Å; L83-V167 HydrophobicContact CD2-CG2 4.02Å; C163-V167 WeakPolarHBondContact O-CG2 3.41Å; C163-V167 PolarHBondContact O-N 3.47Å; L164-V167 PolarHBondContact O-N 2.86Å; V167-V169 PolarHBondContact O-N 3.43Å; V167-V170 PolarHBondContact O-N 3.47Å; V167-L171 HydrophobicContact CG1-CD1 3.94Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 VanDerWaalsContact O-CG 3.29Å; V167-L171 WeakPolarHBondContact O-CG 3.46Å; V167-L171 PolarHBondContact O-N 2.94Å |
| 168 | I | 95.7 | Very high | 94.2 | Very high | 80 Ų | 80 | 83.4 Ų | 83.4 | 41% | 0.41 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 179.4 | -68.2 | 168 | 0 | 0 | 0 | 111.2 | L164 M165 V166 L171 Y172 | L164-I168 HydrophobicContact CD1-CD1 4.39Å; L164-I168 HydrophobicContact CG-CD1 4.05Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 2.9Å; M165-I168 PolarHBondContact O-N 3.41Å; V166-I168 PolarHBondContact O-N 2.92Å; I168-L171 PolarHBondContact O-N 2.04Å; I168-Y172 WeakPolarHBondContact O-CB 3.34Å; I168-Y172 PolarHBondContact O-N 3.42Å |
| 169 | V | 96.2 | Very high | 93.9 | Very high | 82 Ų | 82 | 80.6 Ų | 80.6 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.4 | 169.8 | 0 | 0 | 0 | 0 | 111 | M165 V166 V167 L171 Y172 V173 | M165-V169 VanDerWaalsContact O-CG2 3.29Å; M165-V169 WeakPolarHBondContact O-CG2 3.45Å; M165-V169 PolarHBondContact O-N 3.23Å; V166-V169 PolarHBondContact O-N 3.15Å; V167-V169 PolarHBondContact O-N 3.43Å; V169-L171 PolarHBondContact O-N 3.05Å; V169-Y172 PolarHBondContact O-N 3.34Å; V169-V173 HydrophobicContact CG1-CG2 4.5Å; V169-V173 WeakPolarHBondContact O-CG2 3.4Å; V169-V173 PolarHBondContact O-N 3.24Å |
| 170 | V | 94.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.2 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | V166 V167 V173 S174 | V166-V170 HydrophobicContact CG1-CG2 4.41Å; V166-V170 WeakPolarHBondContact O-CG2 3.4Å; V166-V170 PolarHBondContact O-N 3.24Å; V167-V170 PolarHBondContact O-N 3.47Å; V170-V173 PolarHBondContact O-N 3.13Å; V170-S174 WeakPolarHBondContact O-CB 3.43Å; V170-S174 PolarHBondContact O-N 3.09Å; V170-S174 PolarHBondContact O-OG 3.43Å |
| 171 | L | 93.4 | Very high | 93.1 | Very high | 67 Ų | 67 | 84.6 Ų | 84.6 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.6 | -71.5 | 173.8 | 0 | 0 | 0 | 111.6 | N76 V167 I168 V169 S174 L175 | N76-L171 VanDerWaalsContact OD1-CD1 3.23Å; N76-L171 WeakPolarHBondContact OD1-CD1 3.3Å; V167-L171 HydrophobicContact CG1-CD1 3.94Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 VanDerWaalsContact O-CG 3.29Å; V167-L171 WeakPolarHBondContact O-CG 3.46Å; V167-L171 PolarHBondContact O-N 2.94Å; I168-L171 PolarHBondContact O-N 2.04Å; V169-L171 PolarHBondContact O-N 3.05Å; L171-S174 PolarHBondContact O-N 3.46Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.27Å; L171-L175 PolarHBondContact O-N 3.28Å |
| 172 | Y | 93.4 | Very high | 92.8 | Very high | 128 Ų | 128 | 83.1 Ų | 83.1 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 177.9 | 176.5 | -108.9 | 0 | 0 | 0 | 111.8 | I168 V169 S174 L175 W176 | I168-Y172 WeakPolarHBondContact O-CB 3.34Å; I168-Y172 PolarHBondContact O-N 3.42Å; V169-Y172 PolarHBondContact O-N 3.34Å; Y172-S174 VanDerWaalsContact C-N 3.28Å; Y172-S174 PolarHBondContact O-N 3.39Å; Y172-L175 PolarHBondContact O-N 3.39Å; Y172-L175 VanDerWaalsContact O-N 3.16Å; Y172-W176 HydrophobicContact CD1-CE3 4.03Å; Y172-W176 HydrophobicContact CD1-CZ3 4.45Å; Y172-W176 AromaticContact CE1-CD2 3.99Å; Y172-W176 HydrophobicContact CE1-CD2 3.99Å; Y172-W176 AromaticContact CE1-CE3 3.12Å; Y172-W176 HydrophobicContact CE1-CE3 3.12Å; Y172-W176 HydrophobicContact CE1-CH2 4.3Å; Y172-W176 AromaticContact CE1-CZ3 3.32Å; Y172-W176 HydrophobicContact CE1-CZ3 3.32Å; Y172-W176 HydrophobicContact CE2-CE3 4.46Å; Y172-W176 AromaticContact CZ-CD2 3.79Å; Y172-W176 AromaticContact CZ-CE3 3.38Å; Y172-W176 AromaticContact CZ-CZ3 3.67Å; Y172-W176 PolarHBondContact O-N 2.91Å; Y172-W176 VanDerWaalsContact OH-CE3 3.27Å; Y172-W176 WeakPolarHBondContact OH-CH2 3.34Å; Y172-W176 VanDerWaalsContact OH-CZ3 3.26Å; Y172-W176 WeakPolarHBondContact OH-CZ3 3.43Å |
| 173 | V | 92.9 | Very high | 92.5 | Very high | 92 Ų | 92 | 79.4 Ų | 79.4 | 56% | 0.558 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111.6 | V169 V170 L175 | V169-V173 HydrophobicContact CG1-CG2 4.5Å; V169-V173 WeakPolarHBondContact O-CG2 3.4Å; V169-V173 PolarHBondContact O-N 3.24Å; V170-V173 PolarHBondContact O-N 3.13Å; V173-L175 VanDerWaalsContact C-N 3.28Å; V173-L175 PolarHBondContact O-N 3.19Å |
| 174 | S | 92.6 | Very high | 92.1 | Very high | 20 Ų | 20 | 87 Ų | 87 | 14% | 0.14 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.3 | -33.4 | 178 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | V170 L171 Y172 T181 S182 | V170-S174 WeakPolarHBondContact O-CB 3.43Å; V170-S174 PolarHBondContact O-N 3.09Å; V170-S174 PolarHBondContact O-OG 3.43Å; L171-S174 PolarHBondContact O-N 3.46Å; Y172-S174 VanDerWaalsContact C-N 3.28Å; Y172-S174 PolarHBondContact O-N 3.39Å; S174-T181 WeakPolarHBondContact O-CB 3.31Å; S174-T181 PolarHBondContact O-OG1 2.92Å; S174-S182 PolarHBondContact O-N 3.45Å |
| 175 | L | 91.6 | Very high | 91.9 | Very high | 102 Ų | 102 | 87.4 Ų | 87.4 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -100.4 | -16.7 | -174.1 | -63.7 | 175.7 | 0 | 0 | 0 | 114.8 | L171 Y172 V173 K177 G178 | L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.27Å; L171-L175 PolarHBondContact O-N 3.28Å; Y172-L175 PolarHBondContact O-N 3.39Å; Y172-L175 VanDerWaalsContact O-N 3.16Å; V173-L175 VanDerWaalsContact C-N 3.28Å; V173-L175 PolarHBondContact O-N 3.19Å; L175-K177 PolarHBondContact O-N 3.38Å; L175-G178 WeakPolarHBondContact O-CA 3.49Å; L175-G178 PolarHBondContact O-N 2.97Å |
| 176 | W | 90.9 | Very high | 91.7 | Very high | 181 Ų | 181 | 85.6 Ų | 85.6 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -50.5 | -171.5 | -172.8 | -30.4 | 0 | 0 | 0 | 112.2 | Y172 G178 | Y172-W176 HydrophobicContact CD1-CE3 4.03Å; Y172-W176 HydrophobicContact CD1-CZ3 4.45Å; Y172-W176 AromaticContact CE1-CD2 3.99Å; Y172-W176 HydrophobicContact CE1-CD2 3.99Å; Y172-W176 AromaticContact CE1-CE3 3.12Å; Y172-W176 HydrophobicContact CE1-CE3 3.12Å; Y172-W176 HydrophobicContact CE1-CH2 4.3Å; Y172-W176 AromaticContact CE1-CZ3 3.32Å; Y172-W176 HydrophobicContact CE1-CZ3 3.32Å; Y172-W176 HydrophobicContact CE2-CE3 4.46Å; Y172-W176 AromaticContact CZ-CD2 3.79Å; Y172-W176 AromaticContact CZ-CE3 3.38Å; Y172-W176 AromaticContact CZ-CZ3 3.67Å; Y172-W176 PolarHBondContact O-N 2.91Å; Y172-W176 VanDerWaalsContact OH-CE3 3.27Å; Y172-W176 WeakPolarHBondContact OH-CH2 3.34Å; Y172-W176 VanDerWaalsContact OH-CZ3 3.26Å; Y172-W176 WeakPolarHBondContact OH-CZ3 3.43Å; W176-G178 PolarHBondContact O-N 3.49Å |
| 177 | K | 88.6 | Confident | 91.5 | Very high | 165 Ų | 165 | 92.1 Ų | 92.1 | 72% | 0.717 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 20.6 | -180 | -52.6 | -176.5 | 175.5 | 178.8 | 0 | 113.3 | L175 T181 | L175-K177 PolarHBondContact O-N 3.38Å; K177-T181 HydrophobicContact CB-CG2 3.56Å; K177-T181 HydrophobicContact CD-CG2 3.88Å; K177-T181 HydrophobicContact CG-CG2 3.95Å; K177-T181 PolarHBondContact N-OG1 3.49Å |
| 178 | G | 89.9 | Confident | 91.3 | Very high | 34 Ų | 34 | 97.1 Ų | 97.1 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -146.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L175 W176 K180 T181 S182 | L175-G178 WeakPolarHBondContact O-CA 3.49Å; L175-G178 PolarHBondContact O-N 2.97Å; W176-G178 PolarHBondContact O-N 3.49Å; G178-K180 PolarHBondContact O-N 3.44Å; G178-K180 VanDerWaalsContact O-N 3.14Å; G178-T181 PolarHBondContact O-N 2.92Å; G178-T181 PolarHBondContact O-OG1 2.87Å; G178-T181 VanDerWaalsContact O-OG1 3.12Å; G178-S182 PolarHBondContact O-N 3.36Å; G178-S182 VanDerWaalsContact O-N 3.11Å |
| 179 | V | 86.1 | Confident | 91.2 | Very high | 131 Ų | 131 | 97.2 Ų | 97.2 | 79% | 0.794 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -24.6 | -174.2 | -63.7 | 0 | 0 | 0 | 0 | 113.9 | G183 | V179-G183 PolarHBondContact O-N 2.94Å |
| 180 | K | 85.4 | Confident | 91 | Very high | 176 Ų | 176 | 95.5 Ų | 95.5 | 77% | 0.765 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | 179.7 | -68.1 | -177.5 | 180 | 177.9 | 0 | 112.8 | G178 | G178-K180 PolarHBondContact O-N 3.44Å; G178-K180 VanDerWaalsContact O-N 3.14Å |
| 181 | T | 88.4 | Confident | 91 | Very high | 34 Ų | 34 | 95.3 Ų | 95.3 | 21% | 0.209 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -82.1 | -43.7 | 174 | 41.9 | 0 | 0 | 0 | 0 | 111.3 | S174 K177 G178 G183 K184 V185 | S174-T181 WeakPolarHBondContact O-CB 3.31Å; S174-T181 PolarHBondContact O-OG1 2.92Å; K177-T181 HydrophobicContact CB-CG2 3.56Å; K177-T181 HydrophobicContact CD-CG2 3.88Å; K177-T181 HydrophobicContact CG-CG2 3.95Å; K177-T181 PolarHBondContact N-OG1 3.49Å; G178-T181 PolarHBondContact O-N 2.92Å; G178-T181 PolarHBondContact O-OG1 2.87Å; G178-T181 VanDerWaalsContact O-OG1 3.12Å; T181-G183 VanDerWaalsContact C-N 3.28Å; T181-G183 PolarHBondContact O-N 3.44Å; T181-K184 WeakPolarHBondContact O-CB 3.4Å; T181-K184 PolarHBondContact O-N 2.98Å; T181-V185 PolarHBondContact O-N 3.49Å; T181-V185 VanDerWaalsContact O-N 3.1Å |
| 182 | S | 88.6 | Confident | 91.1 | Very high | 36 Ų | 36 | 96.5 Ų | 96.5 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | S174 G178 K184 V185 V186 | S174-S182 PolarHBondContact O-N 3.45Å; G178-S182 PolarHBondContact O-N 3.36Å; G178-S182 VanDerWaalsContact O-N 3.11Å; S182-K184 VanDerWaalsContact C-N 3.27Å; S182-K184 PolarHBondContact O-N 3.02Å; S182-V185 PolarHBondContact O-N 3.46Å; S182-V185 VanDerWaalsContact O-N 3.1Å; S182-V186 VanDerWaalsContact O-CG2 3.25Å; S182-V186 WeakPolarHBondContact O-CG2 3.42Å; S182-V186 PolarHBondContact O-N 3.22Å |
| 183 | G | 89.3 | Confident | 91.2 | Very high | 34 Ų | 34 | 93.4 Ų | 93.4 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.6 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | V179 T181 | V179-G183 PolarHBondContact O-N 2.94Å; T181-G183 VanDerWaalsContact C-N 3.28Å; T181-G183 PolarHBondContact O-N 3.44Å |
| 184 | K | 90.1 | Very high | 91.3 | Very high | 164 Ų | 164 | 97.5 Ų | 97.5 | 71% | 0.713 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.5 | -39.7 | 176.3 | -68.2 | -175.1 | 179.5 | -173.6 | 0 | 112.4 | T181 S182 V186 W187 | T181-K184 WeakPolarHBondContact O-CB 3.4Å; T181-K184 PolarHBondContact O-N 2.98Å; S182-K184 VanDerWaalsContact C-N 3.27Å; S182-K184 PolarHBondContact O-N 3.02Å; K184-V186 VanDerWaalsContact C-N 3.33Å; K184-W187 PolarHBondContact O-N 3.48Å |
| 185 | V | 92.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 103 Ų | 103 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 177.1 | 177 | 0 | 0 | 0 | 0 | 110.4 | T181 S182 W187 I188 T189 | T181-V185 PolarHBondContact O-N 3.49Å; T181-V185 VanDerWaalsContact O-N 3.1Å; S182-V185 PolarHBondContact O-N 3.46Å; S182-V185 VanDerWaalsContact O-N 3.1Å; V185-W187 PolarHBondContact O-N 3.4Å; V185-I188 PolarHBondContact O-N 3.45Å; V185-T189 HydrophobicContact CG1-CG2 3.8Å; V185-T189 PolarHBondContact O-N 2.95Å; V185-T189 PolarHBondContact O-OG1 2.97Å |
| 186 | V | 92.8 | Very high | 91.6 | Very high | 69 Ų | 69 | 101.2 Ų | 101.2 | 42% | 0.418 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.8 | -33.9 | 179 | 170.2 | 0 | 0 | 0 | 0 | 112.7 | S182 K184 I188 T189 A190 | S182-V186 VanDerWaalsContact O-CG2 3.25Å; S182-V186 WeakPolarHBondContact O-CG2 3.42Å; S182-V186 PolarHBondContact O-N 3.22Å; K184-V186 VanDerWaalsContact C-N 3.33Å; V186-I188 PolarHBondContact O-N 3.21Å; V186-T189 WeakPolarHBondContact CA-OG1 3.44Å; V186-T189 PolarHBondContact O-N 2.97Å; V186-A190 HydrophobicContact CG1-CB 4.01Å; V186-A190 WeakPolarHBondContact O-CB 3.46Å; V186-A190 PolarHBondContact O-N 2.83Å |
| 187 | W | 91.8 | Very high | 91.9 | Very high | 196 Ų | 196 | 96.4 Ų | 96.4 | 74% | 0.742 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.4 | -35.9 | 175.1 | -82.7 | 99 | 0 | 0 | 0 | 112.8 | K184 V185 T191 | K184-W187 PolarHBondContact O-N 3.48Å; V185-W187 PolarHBondContact O-N 3.4Å; W187-T191 WeakPolarHBondContact O-CB 3.44Å; W187-T191 WeakPolarHBondContact O-CG2 3.26Å; W187-T191 PolarHBondContact O-OG1 2.78Å |
| 188 | I | 93.4 | Very high | 92.2 | Very high | 115 Ų | 115 | 94.7 Ų | 94.7 | 59% | 0.59 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -86 | -51.3 | 177.4 | -60.9 | 174.3 | 0 | 0 | 0 | 109.8 | V185 V186 A190 T191 L192 | V185-I188 PolarHBondContact O-N 3.45Å; V186-I188 PolarHBondContact O-N 3.21Å; I188-A190 VanDerWaalsContact C-N 3.28Å; I188-A190 PolarHBondContact O-N 2.85Å; I188-T191 PolarHBondContact O-N 3.19Å; I188-T191 PolarHBondContact O-OG1 3.43Å; I188-L192 VanDerWaalsContact O-CB 3.24Å; I188-L192 WeakPolarHBondContact O-CB 3.44Å; I188-L192 PolarHBondContact O-N 3.23Å |
| 189 | T | 93 | Very high | 92.6 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -25.1 | -171.2 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | V185 V186 P193 | V185-T189 HydrophobicContact CG1-CG2 3.8Å; V185-T189 PolarHBondContact O-N 2.95Å; V185-T189 PolarHBondContact O-OG1 2.97Å; V186-T189 WeakPolarHBondContact CA-OG1 3.44Å; V186-T189 PolarHBondContact O-N 2.97Å; T189-P193 WeakPolarHBondContact O-CD 3.21Å; T189-P193 VanDerWaalsContact O-CG 3.26Å; T189-P193 WeakPolarHBondContact O-CG 3.4Å |
| 190 | A | 92.9 | Very high | 93.1 | Very high | 46 Ų | 46 | 95.2 Ų | 95.2 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -88.1 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V186 I188 Y194 | V186-A190 HydrophobicContact CG1-CB 4.01Å; V186-A190 WeakPolarHBondContact O-CB 3.46Å; V186-A190 PolarHBondContact O-N 2.83Å; I188-A190 VanDerWaalsContact C-N 3.28Å; I188-A190 PolarHBondContact O-N 2.85Å; A190-Y194 WeakPolarHBondContact O-CD2 3.41Å; A190-Y194 VanDerWaalsContact O-CE2 3.27Å; A190-Y194 WeakPolarHBondContact O-CE2 3.39Å |
| 191 | T | 94.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 92 Ų | 92 | 49% | 0.485 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -88.9 | -39.5 | -176.5 | 60.7 | 0 | 0 | 0 | 0 | 113 | W187 I188 P193 Y194 F195 | W187-T191 WeakPolarHBondContact O-CB 3.44Å; W187-T191 WeakPolarHBondContact O-CG2 3.26Å; W187-T191 PolarHBondContact O-OG1 2.78Å; I188-T191 PolarHBondContact O-N 3.19Å; I188-T191 PolarHBondContact O-OG1 3.43Å; T191-P193 VanDerWaalsContact C-CD 3.47Å; T191-Y194 PolarHBondContact O-N 2.95Å; T191-Y194 VanDerWaalsContact O-N 3.09Å; T191-F195 PolarHBondContact O-N 3.47Å |
| 192 | L | 94.8 | Very high | 94 | Very high | 92 Ų | 92 | 94 Ų | 94 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.8 | -41.5 | -178.2 | -177.7 | 66.9 | 0 | 0 | 0 | 113.3 | I188 Y194 F195 V196 | I188-L192 VanDerWaalsContact O-CB 3.24Å; I188-L192 WeakPolarHBondContact O-CB 3.44Å; I188-L192 PolarHBondContact O-N 3.23Å; L192-Y194 VanDerWaalsContact C-N 3.29Å; L192-Y194 PolarHBondContact O-N 3.5Å; L192-F195 HydrophobicContact CD1-CD1 4.4Å; L192-F195 WeakPolarHBondContact O-CB 3.26Å; L192-F195 PolarHBondContact O-N 2.88Å; L192-F195 VanDerWaalsContact O-N 3.16Å; L192-V196 HydrophobicContact CD1-CG2 4.32Å; L192-V196 HydrophobicContact CG-CG2 4.32Å; L192-V196 WeakPolarHBondContact O-CG2 3.33Å; L192-V196 PolarHBondContact O-N 3.34Å |
| 193 | P | 95.1 | Very high | 94.3 | Very high | 63 Ų | 63 | 97.6 Ų | 97.6 | 41% | 0.409 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 176.8 | -26.8 | 36.6 | 0 | 0 | 0 | 113.6 | T189 T191 V196 L197 | T189-P193 WeakPolarHBondContact O-CD 3.21Å; T189-P193 VanDerWaalsContact O-CG 3.26Å; T189-P193 WeakPolarHBondContact O-CG 3.4Å; T191-P193 VanDerWaalsContact C-CD 3.47Å; P193-V196 PolarHBondContact O-N 3.37Å; P193-L197 VanDerWaalsContact O-CB 3.31Å; P193-L197 WeakPolarHBondContact O-CB 3.11Å; P193-L197 WeakPolarHBondContact O-CG 3.24Å; P193-L197 PolarHBondContact O-N 3.47Å |
| 194 | Y | 94.9 | Very high | 94.5 | Very high | 177 Ų | 177 | 97.5 Ų | 97.5 | 69% | 0.694 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 177.5 | -68.8 | -79.9 | 0 | 0 | 0 | 111.9 | A190 T191 L192 L197 F198 | A190-Y194 WeakPolarHBondContact O-CD2 3.41Å; A190-Y194 VanDerWaalsContact O-CE2 3.27Å; A190-Y194 WeakPolarHBondContact O-CE2 3.39Å; T191-Y194 PolarHBondContact O-N 2.95Å; T191-Y194 VanDerWaalsContact O-N 3.09Å; L192-Y194 VanDerWaalsContact C-N 3.29Å; L192-Y194 PolarHBondContact O-N 3.5Å; Y194-L197 PolarHBondContact O-N 3.06Å; Y194-F198 WeakPolarHBondContact O-CB 3.37Å; Y194-F198 PolarHBondContact O-N 2.74Å |
| 195 | F | 96.5 | Very high | 94.8 | Very high | 135 Ų | 135 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -48.1 | 174.6 | 175.7 | -101.3 | 0 | 0 | 0 | 111.4 | T191 L192 L197 F198 V199 | T191-F195 PolarHBondContact O-N 3.47Å; L192-F195 HydrophobicContact CD1-CD1 4.4Å; L192-F195 WeakPolarHBondContact O-CB 3.26Å; L192-F195 PolarHBondContact O-N 2.88Å; L192-F195 VanDerWaalsContact O-N 3.16Å; F195-L197 PolarHBondContact O-N 2.9Å; F195-F198 WeakPolarHBondContact O-CB 3.27Å; F195-F198 PolarHBondContact O-N 3.02Å; F195-V199 HydrophobicContact CE1-CG2 4.14Å; F195-V199 HydrophobicContact CE2-CG2 4.29Å; F195-V199 HydrophobicContact CZ-CG2 3.98Å; F195-V199 WeakPolarHBondContact O-CG2 3.26Å; F195-V199 PolarHBondContact O-N 3.4Å |
| 196 | V | 95.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 40% | 0.4 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | L192 P193 F198 V199 L200 | L192-V196 HydrophobicContact CD1-CG2 4.32Å; L192-V196 HydrophobicContact CG-CG2 4.32Å; L192-V196 WeakPolarHBondContact O-CG2 3.33Å; L192-V196 PolarHBondContact O-N 3.34Å; P193-V196 PolarHBondContact O-N 3.37Å; V196-F198 VanDerWaalsContact C-N 3.29Å; V196-F198 PolarHBondContact O-N 3.34Å; V196-V199 PolarHBondContact O-N 2.96Å; V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.31Å; V196-L200 WeakPolarHBondContact O-CB 3.35Å; V196-L200 WeakPolarHBondContact O-CG 3.33Å; V196-L200 PolarHBondContact O-N 3.33Å |
| 197 | L | 95.4 | Very high | 95 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 42% | 0.419 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 176.7 | -74.1 | 172.2 | 0 | 0 | 0 | 112 | P193 Y194 F195 L200 L201 | P193-L197 VanDerWaalsContact O-CB 3.31Å; P193-L197 WeakPolarHBondContact O-CB 3.11Å; P193-L197 WeakPolarHBondContact O-CG 3.24Å; P193-L197 PolarHBondContact O-N 3.47Å; Y194-L197 PolarHBondContact O-N 3.06Å; F195-L197 PolarHBondContact O-N 2.9Å; L197-L200 PolarHBondContact O-N 3.16Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.31Å; L197-L201 PolarHBondContact O-N 3.4Å |
| 198 | F | 96.5 | Very high | 95.1 | Very high | 129 Ų | 129 | 94 Ų | 94 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -45.3 | 175.4 | 178.9 | -100.2 | 0 | 0 | 0 | 111.9 | Y194 F195 V196 L200 L201 V202 | Y194-F198 WeakPolarHBondContact O-CB 3.37Å; Y194-F198 PolarHBondContact O-N 2.74Å; F195-F198 WeakPolarHBondContact O-CB 3.27Å; F195-F198 PolarHBondContact O-N 3.02Å; V196-F198 VanDerWaalsContact C-N 3.29Å; V196-F198 PolarHBondContact O-N 3.34Å; F198-L200 VanDerWaalsContact C-N 3.35Å; F198-L200 PolarHBondContact O-N 3.34Å; F198-L201 WeakPolarHBondContact O-CB 3.21Å; F198-L201 PolarHBondContact O-N 3.34Å; F198-V202 HydrophobicContact CD1-CG2 4.47Å; F198-V202 HydrophobicContact CE1-CG2 4.04Å; F198-V202 HydrophobicContact CE2-CG2 4.29Å; F198-V202 HydrophobicContact CZ-CG2 3.93Å; F198-V202 WeakPolarHBondContact O-CG2 3.25Å; F198-V202 PolarHBondContact O-N 2.97Å |
| 199 | V | 97.5 | Very high | 95.1 | Very high | 73 Ų | 73 | 90.9 Ų | 90.9 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -45 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 111 | F195 V196 L201 V202 H203 | F195-V199 HydrophobicContact CE1-CG2 4.14Å; F195-V199 HydrophobicContact CE2-CG2 4.29Å; F195-V199 HydrophobicContact CZ-CG2 3.98Å; F195-V199 WeakPolarHBondContact O-CG2 3.26Å; F195-V199 PolarHBondContact O-N 3.4Å; V196-V199 PolarHBondContact O-N 2.96Å; V199-L201 VanDerWaalsContact C-N 3.31Å; V199-L201 PolarHBondContact O-N 2.82Å; V199-V202 PolarHBondContact O-N 3.31Å; V199-H203 WeakPolarHBondContact O-CB 3.22Å; V199-H203 PolarHBondContact O-N 2.86Å |
| 200 | L | 95.8 | Very high | 95 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 176.7 | -69.8 | 176.9 | 0 | 0 | 0 | 112.5 | V196 L197 F198 G204 | V196-L200 HydrophobicContact CG1-CD1 3.95Å; V196-L200 HydrophobicContact CG1-CG 4.31Å; V196-L200 WeakPolarHBondContact O-CB 3.35Å; V196-L200 WeakPolarHBondContact O-CG 3.33Å; V196-L200 PolarHBondContact O-N 3.33Å; L197-L200 PolarHBondContact O-N 3.16Å; F198-L200 VanDerWaalsContact C-N 3.35Å; F198-L200 PolarHBondContact O-N 3.34Å; L200-G204 WeakPolarHBondContact O-CA 3.24Å; L200-G204 PolarHBondContact O-N 3.29Å |
| 201 | L | 95.8 | Very high | 95 | Very high | 108 Ų | 108 | 90.1 Ų | 90.1 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.2 | -50 | 175 | 177.4 | 65.8 | 0 | 0 | 0 | 111 | L197 F198 V199 H203 G204 V205 | L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.31Å; L197-L201 PolarHBondContact O-N 3.4Å; F198-L201 WeakPolarHBondContact O-CB 3.21Å; F198-L201 PolarHBondContact O-N 3.34Å; V199-L201 VanDerWaalsContact C-N 3.31Å; V199-L201 PolarHBondContact O-N 2.82Å; L201-H203 VanDerWaalsContact C-N 3.34Å; L201-H203 PolarHBondContact O-N 3.14Å; L201-G204 PolarHBondContact O-N 2.86Å; L201-V205 HydrophobicContact CD1-CG2 4.15Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 3.45Å |
| 202 | V | 96.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 92.1 Ų | 92.1 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -49.1 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | F198 V199 G204 V205 T206 | F198-V202 HydrophobicContact CD1-CG2 4.47Å; F198-V202 HydrophobicContact CE1-CG2 4.04Å; F198-V202 HydrophobicContact CE2-CG2 4.29Å; F198-V202 HydrophobicContact CZ-CG2 3.93Å; F198-V202 WeakPolarHBondContact O-CG2 3.25Å; F198-V202 PolarHBondContact O-N 2.97Å; V199-V202 PolarHBondContact O-N 3.31Å; V202-G204 PolarHBondContact O-N 3.04Å; V202-V205 PolarHBondContact O-N 3.18Å; V202-T206 WeakPolarHBondContact O-CG2 3.32Å; V202-T206 PolarHBondContact O-N 3.31Å; V202-T206 PolarHBondContact O-OG1 3.24Å |
| 203 | H | 95.6 | Very high | 94.7 | Very high | 112 Ų | 112 | 90 Ų | 90 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 177 | -174.6 | 61.7 | 0 | 0 | 0 | 112 | V199 L201 V205 T206 L207 | V199-H203 WeakPolarHBondContact O-CB 3.22Å; V199-H203 PolarHBondContact O-N 2.86Å; L201-H203 VanDerWaalsContact C-N 3.34Å; L201-H203 PolarHBondContact O-N 3.14Å; H203-V205 VanDerWaalsContact C-N 3.34Å; H203-V205 PolarHBondContact O-N 3.46Å; H203-T206 PolarHBondContact O-N 3.1Å; H203-T206 VanDerWaalsContact O-N 3.14Å; H203-T206 PolarHBondContact O-OG1 3.44Å; H203-L207 PolarHBondContact O-N 3.21Å |
| 204 | G | 94.4 | Very high | 94.5 | Very high | 31 Ų | 31 | 91 Ų | 91 | 32% | 0.32 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L200 L201 V202 L207 A210 | L200-G204 WeakPolarHBondContact O-CA 3.24Å; L200-G204 PolarHBondContact O-N 3.29Å; L201-G204 PolarHBondContact O-N 2.86Å; V202-G204 PolarHBondContact O-N 3.04Å; G204-L207 PolarHBondContact O-N 2.69Å; G204-A210 VanDerWaalsContact O-CB 3.29Å; G204-A210 WeakPolarHBondContact O-CB 3.22Å |
| 205 | V | 95.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 87.6 Ų | 87.6 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.1 | -27.8 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | L201 V202 H203 L207 | L201-V205 HydrophobicContact CD1-CG2 4.15Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 3.45Å; V202-V205 PolarHBondContact O-N 3.18Å; H203-V205 VanDerWaalsContact C-N 3.34Å; H203-V205 PolarHBondContact O-N 3.46Å; V205-L207 VanDerWaalsContact C-N 3.31Å; V205-L207 PolarHBondContact O-N 3.47Å |
| 206 | T | 95 | Very high | 94 | Very high | 104 Ų | 104 | 83.3 Ų | 83.3 | 64% | 0.638 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -76.5 | -13.8 | 176.4 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | V202 H203 | V202-T206 WeakPolarHBondContact O-CG2 3.32Å; V202-T206 PolarHBondContact O-N 3.31Å; V202-T206 PolarHBondContact O-OG1 3.24Å; H203-T206 PolarHBondContact O-N 3.1Å; H203-T206 VanDerWaalsContact O-N 3.14Å; H203-T206 PolarHBondContact O-OG1 3.44Å |
| 207 | L | 95.2 | Very high | 93.8 | Very high | 87 Ų | 87 | 83.2 Ų | 83.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -74.1 | 143.7 | -179.3 | -73.7 | 169.2 | 0 | 0 | 0 | 112.1 | H203 G204 V205 G209 A210 | H203-L207 PolarHBondContact O-N 3.21Å; G204-L207 PolarHBondContact O-N 2.69Å; V205-L207 VanDerWaalsContact C-N 3.31Å; V205-L207 PolarHBondContact O-N 3.47Å; L207-G209 PolarHBondContact O-N 3.36Å; L207-A210 WeakPolarHBondContact O-CB 3.35Å; L207-A210 PolarHBondContact O-N 2.95Å |
| 208 | P | 93.7 | Very high | 93.6 | Very high | 129 Ų | 129 | 83.4 Ų | 83.4 | 84% | 0.838 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 133.7 | 176.1 | 27.3 | -34.1 | 0 | 0 | 0 | 110.3 | ||
| 209 | G | 92.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 82.4 Ų | 82.4 | 51% | 0.505 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 3.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L207 S211 N212 | L207-G209 PolarHBondContact O-N 3.36Å; G209-S211 PolarHBondContact O-N 3.3Å; G209-N212 WeakPolarHBondContact O-CB 3.29Å; G209-N212 PolarHBondContact O-N 3.45Å |
| 210 | A | 92.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 83.4 Ų | 83.4 | 21% | 0.207 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -54 | -37.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G204 L207 N212 G213 I214 | G204-A210 VanDerWaalsContact O-CB 3.29Å; G204-A210 WeakPolarHBondContact O-CB 3.22Å; L207-A210 WeakPolarHBondContact O-CB 3.35Å; L207-A210 PolarHBondContact O-N 2.95Å; A210-N212 PolarHBondContact O-N 3.26Å; A210-G213 PolarHBondContact O-N 3.36Å; A210-G213 VanDerWaalsContact O-N 3.15Å; A210-I214 WeakPolarHBondContact O-CG1 3.34Å; A210-I214 PolarHBondContact O-N 3.14Å; A210-I214 VanDerWaalsContact O-N 3.08Å |
| 211 | S | 92.1 | Very high | 93 | Very high | 88 Ų | 88 | 81.2 Ų | 81.2 | 62% | 0.615 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.9 | -32.7 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | G209 N215 | G209-S211 PolarHBondContact O-N 3.3Å; S211-N215 VanDerWaalsContact O-CB 3.29Å; S211-N215 WeakPolarHBondContact O-CB 3.32Å; S211-N215 PolarHBondContact O-N 3.4Å |
| 212 | N | 92.3 | Very high | 92.9 | Very high | 121 Ų | 121 | 82.1 Ų | 82.1 | 65% | 0.647 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.6 | -40.7 | 179.5 | -66.1 | -18.4 | 0 | 0 | 0 | 111 | G209 A210 A216 | G209-N212 WeakPolarHBondContact O-CB 3.29Å; G209-N212 PolarHBondContact O-N 3.45Å; A210-N212 PolarHBondContact O-N 3.26Å; N212-A216 VanDerWaalsContact O-CB 3.27Å; N212-A216 WeakPolarHBondContact O-CB 3.44Å; N212-A216 PolarHBondContact O-N 2.92Å |
| 213 | G | 90.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 85.9 Ų | 85.9 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A210 A216 Y217 | A210-G213 PolarHBondContact O-N 3.36Å; A210-G213 VanDerWaalsContact O-N 3.15Å; G213-A216 PolarHBondContact O-N 3.09Å; G213-Y217 VanDerWaalsContact O-CB 3.32Å; G213-Y217 WeakPolarHBondContact O-CB 3.49Å; G213-Y217 PolarHBondContact O-N 3.06Å |
| 214 | I | 91.8 | Very high | 92.5 | Very high | 83 Ų | 83 | 85.2 Ų | 85.2 | 43% | 0.426 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 177.4 | -63.6 | 170.1 | 0 | 0 | 0 | 110.6 | A210 Y217 L218 | A210-I214 WeakPolarHBondContact O-CG1 3.34Å; A210-I214 PolarHBondContact O-N 3.14Å; A210-I214 VanDerWaalsContact O-N 3.08Å; I214-Y217 PolarHBondContact O-N 2.95Å; I214-L218 HydrophobicContact CG2-CD1 4.02Å; I214-L218 WeakPolarHBondContact O-CB 3.39Å; I214-L218 PolarHBondContact O-N 3.38Å |
| 215 | N | 91.7 | Very high | 92.4 | Very high | 106 Ų | 106 | 85.2 Ų | 85.2 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 178.3 | -169 | 30.9 | 0 | 0 | 0 | 111.3 | S211 Y217 H219 | S211-N215 VanDerWaalsContact O-CB 3.29Å; S211-N215 WeakPolarHBondContact O-CB 3.32Å; S211-N215 PolarHBondContact O-N 3.4Å; N215-Y217 VanDerWaalsContact C-N 3.3Å; N215-Y217 PolarHBondContact O-N 3.04Å; N215-H219 WeakPolarHBondContact O-CA 3.49Å; N215-H219 VanDerWaalsContact O-CB 3.26Å; N215-H219 WeakPolarHBondContact O-CB 3.39Å; N215-H219 PolarHBondContact O-N 2.99Å |
| 216 | A | 89.1 | Confident | 92.3 | Very high | 45 Ų | 45 | 89 Ų | 89 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y10 N212 G213 | Y10-A216 WeakPolarHBondContact CD2-O 3.33Å; Y10-A216 HydrophobicContact CE2-CB 4.16Å; Y10-A216 WeakPolarHBondContact CE2-O 3.32Å; N212-A216 VanDerWaalsContact O-CB 3.27Å; N212-A216 WeakPolarHBondContact O-CB 3.44Å; N212-A216 PolarHBondContact O-N 2.92Å; G213-A216 PolarHBondContact O-N 3.09Å |
| 217 | Y | 90.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 87 Ų | 87 | 26% | 0.255 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -72.9 | -44.6 | 179.6 | -179.5 | -116.8 | 0 | 0 | 0 | 113.1 | F5 P6 C9 G14 G213 I214 N215 | F5-Y217 WeakPolarHBondContact CE1-OH 3.31Å; P6-Y217 HydrophobicContact CB-CE2 3.88Å; P6-Y217 WeakPolarHBondContact O-CE2 3.16Å; C9-Y217 HydrophobicContact CB-CE2 3.72Å; G14-Y217 CarbonylContact C-O 3.19Å; G14-Y217 WeakPolarHBondContact CA-O 3.33Å; G213-Y217 VanDerWaalsContact O-CB 3.32Å; G213-Y217 WeakPolarHBondContact O-CB 3.49Å; G213-Y217 PolarHBondContact O-N 3.06Å; I214-Y217 PolarHBondContact O-N 2.95Å; N215-Y217 VanDerWaalsContact C-N 3.3Å; N215-Y217 PolarHBondContact O-N 3.04Å |
| 218 | L | 91.1 | Very high | 92.3 | Very high | 83 Ų | 83 | 86.1 Ų | 86.1 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -95.5 | 3.6 | -175.5 | -65.4 | 179.8 | 0 | 0 | 0 | 113.9 | I214 I220 | I214-L218 HydrophobicContact CG2-CD1 4.02Å; I214-L218 WeakPolarHBondContact O-CB 3.39Å; I214-L218 PolarHBondContact O-N 3.38Å; L218-I220 WeakPolarHBondContact O-CG1 3.33Å; L218-I220 PolarHBondContact O-N 3.41Å |
| 219 | H | 92.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 83.5 Ų | 83.5 | 51% | 0.505 | 45% | 0.454 | S | S | . | . | trans | -54 | 131.8 | 172.8 | -178.3 | -85.8 | 0 | 0 | 0 | 109.8 | G14 G15 N215 | G14-H219 CarbonylContact C-O 3.59Å; G14-H219 WeakPolarHBondContact CA-O 3.48Å; G15-H219 PolarHBondContact N-O 3.28Å; N215-H219 WeakPolarHBondContact O-CA 3.49Å; N215-H219 VanDerWaalsContact O-CB 3.26Å; N215-H219 WeakPolarHBondContact O-CB 3.39Å; N215-H219 PolarHBondContact O-N 2.99Å | ||
| 220 | I | 93.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 81.2 Ų | 81.2 | 48% | 0.482 | 43% | 0.43 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 108.4 | -175 | -55.8 | 175.1 | 0 | 0 | 0 | 108.4 | A16 L218 F222 | A16-I220 HydrophobicContact CB-CG2 4.11Å; L218-I220 WeakPolarHBondContact O-CG1 3.33Å; L218-I220 PolarHBondContact O-N 3.41Å; I220-F222 HydrophobicContact CG2-CD1 4.31Å; I220-F222 HydrophobicContact CG2-CD2 3.86Å; I220-F222 HydrophobicContact CG2-CE1 3.93Å; I220-F222 HydrophobicContact CG2-CE2 3.44Å; I220-F222 VanDerWaalsContact CG2-CE2 3.44Å; I220-F222 HydrophobicContact CG2-CG 4.28Å; I220-F222 HydrophobicContact CG2-CZ 3.48Å; I220-F222 VanDerWaalsContact CG2-CZ 3.48Å |
| 221 | D | 92.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 84.2 Ų | 84.2 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | trans | -111.1 | 95.5 | 172.4 | -174.5 | -2.9 | 0 | 0 | 0 | 110.7 | G13 A16 Y223 R224 | G13-D221 PolarHBondContact O-N 2.95Å; A16-D221 WeakPolarHBondContact CB-O 3.4Å; D221-Y223 PolarHBondContact O-N 3.28Å; D221-Y223 VanDerWaalsContact OD1-CB 3.29Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.46Å; D221-Y223 PolarHBondContact OD1-N 3.12Å; D221-R224 HydrophobicContact CB-CG 4.26Å; D221-R224 PolarHBondContact O-N 3.23Å; D221-R224 WeakPolarHBondContact OD2-CG 3.49Å | ||
| 222 | F | 92.9 | Very high | 92.7 | Very high | 128 Ų | 128 | 84.9 Ų | 84.9 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -67.8 | -20 | 178.6 | -68.9 | -71.2 | 0 | 0 | 0 | 113.5 | I19 I220 R224 L225 | I19-F222 HydrophobicContact CD1-CE1 3.97Å; I220-F222 HydrophobicContact CG2-CD1 4.31Å; I220-F222 HydrophobicContact CG2-CD2 3.86Å; I220-F222 HydrophobicContact CG2-CE1 3.93Å; I220-F222 HydrophobicContact CG2-CE2 3.44Å; I220-F222 VanDerWaalsContact CG2-CE2 3.44Å; I220-F222 HydrophobicContact CG2-CG 4.28Å; I220-F222 HydrophobicContact CG2-CZ 3.48Å; I220-F222 VanDerWaalsContact CG2-CZ 3.48Å; F222-R224 VanDerWaalsContact C-N 3.25Å; F222-R224 PolarHBondContact O-N 3.33Å; F222-L225 HydrophobicContact CD1-CD1 3.86Å; F222-L225 WeakPolarHBondContact O-CB 3.45Å; F222-L225 PolarHBondContact O-N 3.27Å |
| 223 | Y | 93.6 | Very high | 92.8 | Very high | 155 Ų | 155 | 80.8 Ų | 80.8 | 61% | 0.608 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -65.4 | -36 | 179.8 | -174.1 | -94.8 | 0 | 0 | 0 | 110.8 | D221 L225 K226 | D221-Y223 PolarHBondContact O-N 3.28Å; D221-Y223 VanDerWaalsContact OD1-CB 3.29Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.46Å; D221-Y223 PolarHBondContact OD1-N 3.12Å; Y223-L225 PolarHBondContact O-N 3.11Å; Y223-K226 HydrophobicContact CD2-CD 4.45Å; Y223-K226 WeakPolarHBondContact O-CB 3.37Å; Y223-K226 PolarHBondContact O-N 3.16Å; Y223-K226 VanDerWaalsContact O-N 3.14Å |
| 224 | R | 90.6 | Very high | 93 | Very high | 98 Ų | 98 | 78.5 Ų | 78.5 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -60.4 | -28.4 | 176.6 | -70.5 | -68.2 | -173.8 | 171.3 | 4 | 113.7 | D221 F222 K226 E227 V230 | D221-R224 HydrophobicContact CB-CG 4.26Å; D221-R224 PolarHBondContact O-N 3.23Å; D221-R224 WeakPolarHBondContact OD2-CG 3.49Å; F222-R224 VanDerWaalsContact C-N 3.25Å; F222-R224 PolarHBondContact O-N 3.33Å; R224-K226 PolarHBondContact O-N 3.49Å; R224-K226 VanDerWaalsContact O-N 3.13Å; R224-E227 WeakPolarHBondContact CD-OE1 3.42Å; R224-E227 IonicContact CZ-OE1 3.83Å; R224-E227 IonicContact NE-OE1 2.93Å; R224-E227 IonicContact NH1-OE1 2.97Å; R224-E227 PolarHBondContact NH1-OE1 3.13Å; R224-E227 IonicContact NH1-OE2 3.89Å; R224-E227 PolarHBondContact NH1-OE2 3.24Å; R224-E227 VanDerWaalsContact NH1-OE2 3.1Å; R224-E227 WeakPolarHBondContact O-CB 3.33Å; R224-E227 PolarHBondContact O-N 3.1Å; R224-V230 HydrophobicContact CB-CG2 4.36Å; R224-V230 VanDerWaalsContact O-CG2 3.22Å; R224-V230 WeakPolarHBondContact O-CG2 3.37Å |
| 225 | L | 92.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 75.4 Ų | 75.4 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -64.5 | -17.7 | 178.1 | -65.6 | 179.9 | 0 | 0 | 0 | 113.7 | A16 I19 P20 F222 Y223 V230 W231 | A16-L225 HydrophobicContact CB-CD1 4.34Å; A16-L225 HydrophobicContact CB-CD2 4.26Å; A16-L225 HydrophobicContact CB-CG 4.16Å; I19-L225 HydrophobicContact CD1-CD1 4.11Å; P20-L225 HydrophobicContact CG-CD2 4.02Å; F222-L225 HydrophobicContact CD1-CD1 3.86Å; F222-L225 WeakPolarHBondContact O-CB 3.45Å; F222-L225 PolarHBondContact O-N 3.27Å; Y223-L225 PolarHBondContact O-N 3.11Å; L225-V230 HydrophobicContact CD2-CG1 4.08Å; L225-W231 PolarHBondContact O-NE1 3.14Å |
| 226 | K | 94 | Very high | 93.3 | Very high | 168 Ų | 168 | 72.6 Ų | 72.6 | 73% | 0.73 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -73.4 | -19.4 | 174.2 | -62.7 | -179.4 | 179.6 | 179.1 | 0 | 112.4 | Y223 R224 | Y223-K226 HydrophobicContact CD2-CD 4.45Å; Y223-K226 WeakPolarHBondContact O-CB 3.37Å; Y223-K226 PolarHBondContact O-N 3.16Å; Y223-K226 VanDerWaalsContact O-N 3.14Å; R224-K226 PolarHBondContact O-N 3.49Å; R224-K226 VanDerWaalsContact O-N 3.13Å |
| 227 | E | 95.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 28% | 0.28 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -81 | 125.9 | -180 | -60.2 | 175.9 | -168.1 | 0 | 0 | 110.1 | R224 T229 V230 | R224-E227 WeakPolarHBondContact CD-OE1 3.42Å; R224-E227 IonicContact CZ-OE1 3.83Å; R224-E227 IonicContact NE-OE1 2.93Å; R224-E227 IonicContact NH1-OE1 2.97Å; R224-E227 PolarHBondContact NH1-OE1 3.13Å; R224-E227 IonicContact NH1-OE2 3.89Å; R224-E227 PolarHBondContact NH1-OE2 3.24Å; R224-E227 VanDerWaalsContact NH1-OE2 3.1Å; R224-E227 WeakPolarHBondContact O-CB 3.33Å; R224-E227 PolarHBondContact O-N 3.1Å; E227-T229 PolarHBondContact O-N 3.25Å; E227-V230 HydrophobicContact CB-CG2 4.26Å; E227-V230 WeakPolarHBondContact O-CB 3.41Å; E227-V230 PolarHBondContact O-N 3.41Å |
| 228 | A | 94.6 | Very high | 93.6 | Very high | 70 Ų | 70 | 68.9 Ų | 68.9 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.1 | -27.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V230 W231 I232 | A228-V230 PolarHBondContact O-N 3.42Å; A228-W231 PolarHBondContact O-N 2.97Å; A228-W231 VanDerWaalsContact O-N 3.14Å; A228-I232 WeakPolarHBondContact O-CG1 3.47Å; A228-I232 PolarHBondContact O-N 3.27Å |
| 229 | T | 94.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.5 | -36.4 | 176.5 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | E227 W231 I232 D233 | E227-T229 PolarHBondContact O-N 3.25Å; T229-W231 VanDerWaalsContact C-N 3.32Å; T229-W231 PolarHBondContact O-N 2.99Å; T229-I232 PolarHBondContact O-N 3.13Å; T229-D233 WeakPolarHBondContact O-CB 3.43Å; T229-D233 PolarHBondContact O-N 3.39Å |
| 230 | V | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | N12 F17 P20 R224 L225 E227 A228 A234 | N12-V230 HydrophobicContact CB-CB 4.44Å; N12-V230 HydrophobicContact CB-CG1 4.15Å; N12-V230 HydrophobicContact CB-CG2 3.95Å; F17-V230 HydrophobicContact CD2-CG1 4.05Å; P20-V230 HydrophobicContact CG-CG1 4.08Å; R224-V230 HydrophobicContact CB-CG2 4.36Å; R224-V230 VanDerWaalsContact O-CG2 3.22Å; R224-V230 WeakPolarHBondContact O-CG2 3.37Å; L225-V230 HydrophobicContact CD2-CG1 4.08Å; E227-V230 HydrophobicContact CB-CG2 4.26Å; E227-V230 WeakPolarHBondContact O-CB 3.41Å; E227-V230 PolarHBondContact O-N 3.41Å; A228-V230 PolarHBondContact O-N 3.42Å; V230-A234 VanDerWaalsContact O-CB 3.3Å; V230-A234 WeakPolarHBondContact O-CB 3.27Å; V230-A234 PolarHBondContact O-N 3.2Å |
| 231 | W | 95.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 73.1 Ų | 73.1 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 177.9 | -64.3 | 85.9 | 0 | 0 | 0 | 112.1 | P20 L23 F24 L225 A228 T229 A234 A235 | P20-W231 HydrophobicContact CB-CD2 3.89Å; P20-W231 HydrophobicContact CB-CE3 3.53Å; P20-W231 HydrophobicContact CB-CH2 4.08Å; P20-W231 HydrophobicContact CB-CZ2 4.41Å; P20-W231 HydrophobicContact CB-CZ3 3.63Å; L23-W231 HydrophobicContact CD2-CH2 4.32Å; L23-W231 HydrophobicContact CD2-CZ3 3.69Å; F24-W231 HydrophobicContact CE2-CB 4.28Å; F24-W231 AromaticContact CE2-CE3 3.75Å; F24-W231 HydrophobicContact CE2-CE3 3.75Å; F24-W231 VanDerWaalsContact CE2-O 3.31Å; F24-W231 WeakPolarHBondContact CE2-O 3.47Å; F24-W231 HydrophobicContact CZ-CE3 4.21Å; L225-W231 PolarHBondContact O-NE1 3.14Å; A228-W231 PolarHBondContact O-N 2.97Å; A228-W231 VanDerWaalsContact O-N 3.14Å; T229-W231 VanDerWaalsContact C-N 3.32Å; T229-W231 PolarHBondContact O-N 2.99Å; W231-A234 PolarHBondContact O-N 3.15Å; W231-A235 WeakPolarHBondContact O-CB 3.29Å; W231-A235 PolarHBondContact O-N 3.08Å |
| 232 | I | 94.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 74 Ų | 74 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.6 | -66.1 | 167.9 | 0 | 0 | 0 | 110.4 | A228 T229 A234 A235 T236 | A228-I232 WeakPolarHBondContact O-CG1 3.47Å; A228-I232 PolarHBondContact O-N 3.27Å; T229-I232 PolarHBondContact O-N 3.13Å; I232-A234 VanDerWaalsContact C-N 3.33Å; I232-A234 PolarHBondContact O-N 3.22Å; I232-A235 PolarHBondContact O-N 3.01Å; I232-T236 VanDerWaalsContact O-CB 3.27Å; I232-T236 WeakPolarHBondContact O-CB 3.26Å; I232-T236 PolarHBondContact O-N 2.95Å; I232-T236 PolarHBondContact O-OG1 2.94Å |
| 233 | D | 94.6 | Very high | 93.3 | Very high | 35 Ų | 35 | 71 Ų | 71 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.1 | -79 | -5.4 | 0 | 0 | 0 | 111.1 | L8 K11 N12 F17 T229 Q237 | L8-D233 HydrophobicContact CD2-CB 4.49Å; K11-D233 IonicContact NZ-OD2 3.73Å; N12-D233 WeakPolarHBondContact ND2-CB 3.36Å; N12-D233 PolarHBondContact ND2-OD2 3.34Å; N12-D233 PolarHBondContact OD1-OD2 3.49Å; F17-D233 HydrophobicContact CE2-CB 4.24Å; T229-D233 WeakPolarHBondContact O-CB 3.43Å; T229-D233 PolarHBondContact O-N 3.39Å; D233-Q237 VanDerWaalsContact O-CB 3.27Å; D233-Q237 WeakPolarHBondContact O-CB 3.45Å; D233-Q237 PolarHBondContact O-N 2.94Å |
| 234 | A | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -49 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F17 P20 F24 V230 W231 I232 Q237 I238 | F17-A234 HydrophobicContact CD2-CB 4.42Å; F17-A234 HydrophobicContact CE2-CB 3.67Å; F17-A234 HydrophobicContact CZ-CB 3.92Å; P20-A234 HydrophobicContact CB-CB 3.86Å; P20-A234 HydrophobicContact CG-CB 4.13Å; F24-A234 HydrophobicContact CD2-CB 4.07Å; F24-A234 HydrophobicContact CE2-CB 4.46Å; V230-A234 VanDerWaalsContact O-CB 3.3Å; V230-A234 WeakPolarHBondContact O-CB 3.27Å; V230-A234 PolarHBondContact O-N 3.2Å; W231-A234 PolarHBondContact O-N 3.15Å; I232-A234 VanDerWaalsContact C-N 3.33Å; I232-A234 PolarHBondContact O-N 3.22Å; A234-Q237 PolarHBondContact O-N 2.96Å; A234-I238 WeakPolarHBondContact O-CG1 3.45Å; A234-I238 PolarHBondContact O-N 2.88Å; A234-I238 VanDerWaalsContact O-N 3.16Å |
| 235 | A | 94.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F24 W231 I232 Q237 I238 F239 | F24-A235 HydrophobicContact CD1-CB 4.17Å; F24-A235 HydrophobicContact CD2-CB 3.93Å; F24-A235 HydrophobicContact CE1-CB 4.12Å; F24-A235 HydrophobicContact CE2-CB 3.87Å; F24-A235 HydrophobicContact CG-CB 4.09Å; F24-A235 HydrophobicContact CZ-CB 3.98Å; W231-A235 WeakPolarHBondContact O-CB 3.29Å; W231-A235 PolarHBondContact O-N 3.08Å; I232-A235 PolarHBondContact O-N 3.01Å; A235-Q237 VanDerWaalsContact C-N 3.27Å; A235-Q237 PolarHBondContact O-N 2.87Å; A235-I238 PolarHBondContact O-N 3.32Å; A235-F239 VanDerWaalsContact O-CD2 3.27Å; A235-F239 WeakPolarHBondContact O-CD2 3.48Å; A235-F239 PolarHBondContact O-N 2.64Å; A235-F239 VanDerWaalsContact O-N 3.12Å |
| 236 | T | 93.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 66.3 Ų | 66.3 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.9 | -39.8 | 179.5 | -56 | 0 | 0 | 0 | 0 | 111.7 | I232 I238 F239 F240 | I232-T236 VanDerWaalsContact O-CB 3.27Å; I232-T236 WeakPolarHBondContact O-CB 3.26Å; I232-T236 PolarHBondContact O-N 2.95Å; I232-T236 PolarHBondContact O-OG1 2.94Å; T236-I238 VanDerWaalsContact C-N 3.32Å; T236-I238 PolarHBondContact O-N 2.88Å; T236-F239 PolarHBondContact O-N 2.99Å; T236-F240 HydrophobicContact CG2-CD2 3.68Å; T236-F240 HydrophobicContact CG2-CE2 3.9Å; T236-F240 WeakPolarHBondContact O-CD2 3.29Å; T236-F240 PolarHBondContact O-N 3.33Å |
| 237 | Q | 93.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -23.5 | 178.7 | -175.1 | 50.1 | 63.9 | 0 | 0 | 113.7 | F5 L8 Y21 D233 A234 A235 F240 | F5-Q237 HydrophobicContact CD2-CG 4.04Å; L8-Q237 HydrophobicContact CD1-CB 3.99Å; L8-Q237 HydrophobicContact CD1-CG 4.13Å; Y21-Q237 HydrophobicContact CD2-CG 4.47Å; Y21-Q237 HydrophobicContact CE2-CG 4.03Å; D233-Q237 VanDerWaalsContact O-CB 3.27Å; D233-Q237 WeakPolarHBondContact O-CB 3.45Å; D233-Q237 PolarHBondContact O-N 2.94Å; A234-Q237 PolarHBondContact O-N 2.96Å; A235-Q237 VanDerWaalsContact C-N 3.27Å; A235-Q237 PolarHBondContact O-N 2.87Å; Q237-F240 PolarHBondContact NE2-OXT 3.24Å; Q237-F240 VanDerWaalsContact O-OXT 3.11Å |
| 238 | I | 92.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -78.3 | -35.1 | 173.6 | -70 | -67.2 | 0 | 0 | 0 | 111.4 | Y21 F24 L25 A234 A235 T236 | Y21-I238 HydrophobicContact CD1-CD1 4.2Å; Y21-I238 HydrophobicContact CD2-CD1 3.56Å; Y21-I238 HydrophobicContact CD2-CG1 3.83Å; Y21-I238 HydrophobicContact CE1-CD1 3.86Å; Y21-I238 HydrophobicContact CE2-CD1 3.17Å; Y21-I238 HydrophobicContact CE2-CG1 3.81Å; Y21-I238 HydrophobicContact CG-CD1 4.06Å; Y21-I238 HydrophobicContact CG-CG1 4.49Å; F24-I238 HydrophobicContact CB-CG1 4.11Å; L25-I238 HydrophobicContact CB-CD1 3.74Å; L25-I238 HydrophobicContact CD1-CD1 4.04Å; L25-I238 HydrophobicContact CG-CD1 4.43Å; A234-I238 WeakPolarHBondContact O-CG1 3.45Å; A234-I238 PolarHBondContact O-N 2.88Å; A234-I238 VanDerWaalsContact O-N 3.16Å; A235-I238 PolarHBondContact O-N 3.32Å; T236-I238 VanDerWaalsContact C-N 3.32Å; T236-I238 PolarHBondContact O-N 2.88Å |
| 239 | F | 89.1 | Confident | 93.3 | Very high | 125 Ų | 125 | 58 Ų | 58 | 55% | 0.548 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.4 | -24 | 179.6 | -84.2 | -78.9 | 0 | 0 | 0 | 114.2 | A28 L32 A235 T236 | A28-F239 HydrophobicContact CB-CE2 4.42Å; A28-F239 HydrophobicContact CB-CZ 4.31Å; L32-F239 HydrophobicContact CD1-CD1 4.39Å; L32-F239 HydrophobicContact CD1-CE1 3.28Å; L32-F239 HydrophobicContact CD1-CZ 3.58Å; A235-F239 VanDerWaalsContact O-CD2 3.27Å; A235-F239 WeakPolarHBondContact O-CD2 3.48Å; A235-F239 PolarHBondContact O-N 2.64Å; A235-F239 VanDerWaalsContact O-N 3.12Å; T236-F239 PolarHBondContact O-N 2.99Å |
| 240 | F | 86 | Confident | 93.1 | Very high | 176 Ų | 176 | 56.5 Ų | 56.5 | 77% | 0.772 | 27% | 0.269 | S | S | * | . | trans | -117.5 | 0 | -177.3 | -73.4 | -72.6 | 0 | 0 | 0 | 113.2 | T236 Q237 | T236-F240 HydrophobicContact CG2-CD2 3.68Å; T236-F240 HydrophobicContact CG2-CE2 3.9Å; T236-F240 WeakPolarHBondContact O-CD2 3.29Å; T236-F240 PolarHBondContact O-N 3.33Å; Q237-F240 PolarHBondContact NE2-OXT 3.24Å; Q237-F240 VanDerWaalsContact O-OXT 3.11Å |
Retrieved 240 of 240 residues in 531.6 ms
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