| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 79 | Confident | 93.4 | Very high | 211 Ų | 211 | 77.9 Ų | 77.9 | 100% | 1.039 | 38% | 0.384 | S | S | * | . | 0 | 152.6 | 0 | -70.8 | 177.3 | -84 | 0 | 0 | 108.4 | |||||
| 2 | A | 88.8 | Confident | 93.6 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | trans | -69.2 | 140.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I7 L235 | A2-I7 HydrophobicContact CB-CD1 3.86Å; A2-I7 HydrophobicContact CB-CG1 4.04Å; A2-L235 CarbonylContact C-O 3.53Å; A2-L235 WeakPolarHBondContact CA-O 3.46Å | ||
| 3 | S | 95.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | trans | -91.5 | 138.4 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 109.4 | K5 G6 I7 L235 Q236 | S3-K5 PolarHBondContact O-N 2.64Å; S3-K5 PolarHBondContact OG-N 3.09Å; S3-G6 WeakPolarHBondContact O-CA 3.2Å; S3-G6 PolarHBondContact O-N 3.12Å; S3-I7 WeakPolarHBondContact O-CG1 3.39Å; S3-I7 PolarHBondContact O-N 3.22Å; S3-L235 PolarHBondContact N-O 3.4Å; S3-Q236 VanDerWaalsContact CB-O 3.25Å; S3-Q236 WeakPolarHBondContact CB-O 3.36Å | ||
| 4 | W | 95.4 | Very high | 94.1 | Very high | 188 Ų | 188 | 67.6 Ų | 67.6 | 71% | 0.712 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -50.8 | -44 | 172.1 | 153.6 | -107.7 | 0 | 0 | 0 | 111.8 | G6 I7 Y8 | W4-G6 VanDerWaalsContact C-N 3.35Å; W4-G6 PolarHBondContact O-N 3.46Å; W4-I7 PolarHBondContact O-N 2.84Å; W4-Y8 HydrophobicContact CH2-CD2 4.27Å; W4-Y8 HydrophobicContact CZ2-CD2 4.32Å; W4-Y8 WeakPolarHBondContact O-CB 3.33Å; W4-Y8 PolarHBondContact O-N 3.45Å |
| 5 | K | 94.2 | Very high | 94.3 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.7 | -67.2 | -171.6 | 175.5 | -171.1 | 0 | 111.4 | S3 Y8 F9 F62 | S3-K5 PolarHBondContact O-N 2.64Å; S3-K5 PolarHBondContact OG-N 3.09Å; K5-Y8 PolarHBondContact O-N 3.31Å; K5-F9 WeakPolarHBondContact O-CB 3.44Å; K5-F9 PolarHBondContact O-N 3.5Å; K5-F62 HydrophobicContact CB-CE1 3.61Å; K5-F62 HydrophobicContact CB-CZ 3.77Å; K5-F62 HydrophobicContact CD-CE1 4.31Å; K5-F62 WeakPolarHBondContact O-CZ 2.94Å |
| 6 | G | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S3 W4 F9 I10 L234 | S3-G6 WeakPolarHBondContact O-CA 3.2Å; S3-G6 PolarHBondContact O-N 3.12Å; W4-G6 VanDerWaalsContact C-N 3.35Å; W4-G6 PolarHBondContact O-N 3.46Å; G6-F9 PolarHBondContact O-N 3.48Å; G6-I10 PolarHBondContact O-N 2.97Å; G6-I10 VanDerWaalsContact O-N 3.08Å; G6-L234 WeakPolarHBondContact CA-O 3.34Å |
| 7 | I | 96.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 32% | 0.323 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -49.9 | 173.1 | -67.4 | 166.7 | 0 | 0 | 0 | 109.9 | A2 S3 W4 F9 I10 L11 | A2-I7 HydrophobicContact CB-CD1 3.86Å; A2-I7 HydrophobicContact CB-CG1 4.04Å; S3-I7 WeakPolarHBondContact O-CG1 3.39Å; S3-I7 PolarHBondContact O-N 3.22Å; W4-I7 PolarHBondContact O-N 2.84Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.05Å; I7-I10 PolarHBondContact O-N 3.32Å; I7-L11 HydrophobicContact CG2-CD1 3.6Å; I7-L11 HydrophobicContact CG2-CG 4.13Å; I7-L11 WeakPolarHBondContact O-CB 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 3.23Å |
| 8 | Y | 95.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 178.1 | 177.1 | -90.1 | 0 | 0 | 0 | 111.7 | W4 K5 I10 T12 L57 M61 | W4-Y8 HydrophobicContact CH2-CD2 4.27Å; W4-Y8 HydrophobicContact CZ2-CD2 4.32Å; W4-Y8 WeakPolarHBondContact O-CB 3.33Å; W4-Y8 PolarHBondContact O-N 3.45Å; K5-Y8 PolarHBondContact O-N 3.31Å; Y8-I10 PolarHBondContact O-N 3.05Å; Y8-T12 WeakPolarHBondContact O-CB 3.23Å; Y8-T12 PolarHBondContact O-N 2.81Å; Y8-T12 PolarHBondContact O-OG1 3.27Å; Y8-L57 HydrophobicContact CE1-CD2 4.03Å; Y8-M61 HydrophobicContact CD1-CE 3.37Å; Y8-M61 HydrophobicContact CD1-SD 3.67Å; Y8-M61 HydrophobicContact CE1-CE 3.66Å; Y8-M61 HydrophobicContact CE1-SD 3.42Å; Y8-M61 WeakPolarHBondContact CE1-SD 3.5Å; Y8-M61 HydrophobicContact CG-CE 4.31Å |
| 9 | F | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.8 | -53.9 | 177 | -178.9 | -95.3 | 0 | 0 | 0 | 111.4 | K5 G6 I7 T12 L13 L57 L58 F62 M92 L234 F239 | K5-F9 WeakPolarHBondContact O-CB 3.44Å; K5-F9 PolarHBondContact O-N 3.5Å; G6-F9 PolarHBondContact O-N 3.48Å; I7-F9 VanDerWaalsContact C-N 3.33Å; I7-F9 PolarHBondContact O-N 3.05Å; F9-T12 PolarHBondContact O-N 2.78Å; F9-L13 HydrophobicContact CD1-CD1 3.96Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CE1-CG 4.36Å; F9-L13 HydrophobicContact CE2-CD1 4.24Å; F9-L13 HydrophobicContact CZ-CD1 3.55Å; F9-L13 HydrophobicContact CZ-CG 4.44Å; F9-L13 WeakPolarHBondContact O-CG 3.32Å; F9-L13 PolarHBondContact O-N 3.35Å; F9-L57 HydrophobicContact CD2-CB 3.61Å; F9-L57 HydrophobicContact CD2-CD1 3.88Å; F9-L57 HydrophobicContact CD2-CG 4.39Å; F9-L57 HydrophobicContact CE2-CB 3.68Å; F9-L57 HydrophobicContact CE2-CD1 4.2Å; F9-L58 HydrophobicContact CE2-CD2 4Å; F9-L58 HydrophobicContact CE2-CG 3.96Å; F9-L58 HydrophobicContact CZ-CD2 3.99Å; F9-L58 HydrophobicContact CZ-CG 4.12Å; F9-F62 HydrophobicContact CB-CE2 3.9Å; F9-F62 HydrophobicContact CB-CZ 4Å; F9-F62 HydrophobicContact CD2-CD2 4.33Å; F9-F62 AromaticContact CD2-CE2 3.65Å; F9-F62 HydrophobicContact CD2-CE2 3.65Å; F9-F62 HydrophobicContact CE2-CE2 4.49Å; F9-F62 HydrophobicContact CG-CE2 4.03Å; F9-F62 HydrophobicContact CG-CZ 4.49Å; F9-M92 HydrophobicContact CE1-CE 4.05Å; F9-M92 HydrophobicContact CE1-SD 4.33Å; F9-M92 HydrophobicContact CZ-CE 3.86Å; F9-M92 HydrophobicContact CZ-SD 4Å; F9-L234 HydrophobicContact CE1-CD1 4.05Å; F9-F239 HydrophobicContact CB-CZ 4.05Å; F9-F239 AromaticContact CD1-CE1 3.87Å; F9-F239 HydrophobicContact CD1-CE1 3.87Å; F9-F239 AromaticContact CD1-CZ 3.64Å; F9-F239 HydrophobicContact CD1-CZ 3.64Å; F9-F239 HydrophobicContact CD2-CE1 4.12Å; F9-F239 HydrophobicContact CD2-CZ 4.14Å; F9-F239 AromaticContact CE1-CE1 3.8Å; F9-F239 HydrophobicContact CE1-CE1 3.8Å; F9-F239 HydrophobicContact CE1-CZ 4.08Å; F9-F239 HydrophobicContact CE2-CE1 4.05Å; F9-F239 HydrophobicContact CG-CE1 4.02Å; F9-F239 AromaticContact CG-CZ 3.68Å; F9-F239 HydrophobicContact CG-CZ 3.68Å; F9-F239 AromaticContact CZ-CE1 3.89Å; F9-F239 HydrophobicContact CZ-CE1 3.89Å; F9-F239 HydrophobicContact CZ-CZ 4.48Å |
| 10 | I | 95.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 25% | 0.251 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | -176.3 | -73.5 | 170.6 | 0 | 0 | 0 | 111.9 | G6 I7 Y8 T12 L13 F14 L234 L235 | G6-I10 PolarHBondContact O-N 2.97Å; G6-I10 VanDerWaalsContact O-N 3.08Å; I7-I10 PolarHBondContact O-N 3.32Å; Y8-I10 PolarHBondContact O-N 3.05Å; I10-T12 PolarHBondContact O-N 2.97Å; I10-L13 PolarHBondContact O-N 3.14Å; I10-F14 WeakPolarHBondContact O-CB 3.05Å; I10-F14 PolarHBondContact O-N 3.18Å; I10-L234 HydrophobicContact CD1-CB 4.12Å; I10-L235 HydrophobicContact CB-CD2 4.34Å; I10-L235 HydrophobicContact CD1-CB 4.18Å; I10-L235 HydrophobicContact CD1-CD1 4.45Å; I10-L235 HydrophobicContact CD1-CD2 3.32Å; I10-L235 HydrophobicContact CD1-CG 3.32Å; I10-L235 HydrophobicContact CG1-CD2 4.36Å; I10-L235 HydrophobicContact CG2-CD2 4.49Å |
| 11 | L | 95.3 | Very high | 95.4 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 43% | 0.429 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.8 | -71.5 | 180 | 0 | 0 | 0 | 111.4 | I7 F14 W15 | I7-L11 HydrophobicContact CG2-CD1 3.6Å; I7-L11 HydrophobicContact CG2-CG 4.13Å; I7-L11 WeakPolarHBondContact O-CB 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.39Å; I7-L11 PolarHBondContact O-N 3.23Å; L11-F14 PolarHBondContact O-N 3.25Å; L11-W15 WeakPolarHBondContact O-CB 3.45Å; L11-W15 PolarHBondContact O-N 3.12Å |
| 12 | T | 96.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | -180 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | Y8 F9 I10 G16 L53 L57 | Y8-T12 WeakPolarHBondContact O-CB 3.23Å; Y8-T12 PolarHBondContact O-N 2.81Å; Y8-T12 PolarHBondContact O-OG1 3.27Å; F9-T12 PolarHBondContact O-N 2.78Å; I10-T12 PolarHBondContact O-N 2.97Å; T12-G16 PolarHBondContact O-N 3.07Å; T12-L53 HydrophobicContact CG2-CD1 4.24Å; T12-L53 HydrophobicContact CG2-CD2 4.18Å; T12-L57 HydrophobicContact CG2-CD1 4.12Å |
| 13 | L | 96.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 173.9 | -68.6 | -172.2 | 0 | 0 | 0 | 112.4 | F9 I10 S17 W50 L53 P54 L57 M92 F121 | F9-L13 HydrophobicContact CD1-CD1 3.96Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CE1-CG 4.36Å; F9-L13 HydrophobicContact CE2-CD1 4.24Å; F9-L13 HydrophobicContact CZ-CD1 3.55Å; F9-L13 HydrophobicContact CZ-CG 4.44Å; F9-L13 WeakPolarHBondContact O-CG 3.32Å; F9-L13 PolarHBondContact O-N 3.35Å; I10-L13 PolarHBondContact O-N 3.14Å; L13-S17 WeakPolarHBondContact O-CB 3.2Å; L13-S17 PolarHBondContact O-N 3.26Å; L13-S17 PolarHBondContact O-OG 2.99Å; L13-W50 HydrophobicContact CB-CZ2 4.13Å; L13-W50 HydrophobicContact CD2-CZ2 4.03Å; L13-W50 PolarHBondContact O-NE1 3.24Å; L13-L53 HydrophobicContact CD2-CB 4.44Å; L13-L53 HydrophobicContact CD2-CD2 3.98Å; L13-L53 HydrophobicContact CD2-CG 3.9Å; L13-P54 HydrophobicContact CD1-CB 4.23Å; L13-P54 HydrophobicContact CD2-CB 3.83Å; L13-P54 HydrophobicContact CD2-CG 4.29Å; L13-L57 HydrophobicContact CD2-CD1 3.98Å; L13-L57 HydrophobicContact CG-CD1 4.32Å; L13-M92 HydrophobicContact CD1-SD 4.02Å; L13-F121 HydrophobicContact CB-CE1 4.24Å; L13-F121 HydrophobicContact CB-CZ 3.91Å |
| 14 | F | 96.9 | Very high | 96.9 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.4 | -52.6 | 178.5 | 176.2 | -101.2 | 0 | 0 | 0 | 111.5 | I10 L11 G16 S17 F18 P119 F121 | I10-F14 WeakPolarHBondContact O-CB 3.05Å; I10-F14 PolarHBondContact O-N 3.18Å; L11-F14 PolarHBondContact O-N 3.25Å; F14-G16 VanDerWaalsContact C-N 3.34Å; F14-G16 PolarHBondContact O-N 3.44Å; F14-S17 PolarHBondContact O-N 3.28Å; F14-S17 PolarHBondContact O-OG 3.13Å; F14-F18 HydrophobicContact CE1-CB 4.46Å; F14-F18 HydrophobicContact CZ-CB 4.42Å; F14-F18 HydrophobicContact CZ-CD2 4.31Å; F14-F18 HydrophobicContact CZ-CG 4.41Å; F14-F18 WeakPolarHBondContact O-CB 3.48Å; F14-F18 PolarHBondContact O-N 3.2Å; F14-P119 HydrophobicContact CE2-CB 4.45Å; F14-F121 HydrophobicContact CB-CE2 4.18Å; F14-F121 HydrophobicContact CD2-CD2 4.46Å; F14-F121 HydrophobicContact CD2-CE2 4.04Å |
| 15 | W | 97.6 | Very high | 97 | Very high | 102 Ų | 102 | 30.9 Ų | 30.9 | 39% | 0.386 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 179.6 | -75.5 | 119.1 | 0 | 0 | 0 | 112.4 | L11 F18 F19 | L11-W15 WeakPolarHBondContact O-CB 3.45Å; L11-W15 PolarHBondContact O-N 3.12Å; W15-F18 HydrophobicContact CE3-CD1 4.13Å; W15-F18 HydrophobicContact CZ3-CD1 4.02Å; W15-F18 HydrophobicContact CZ3-CE1 4.33Å; W15-F18 PolarHBondContact O-N 2.88Å; W15-F19 HydrophobicContact CB-CD2 4.45Å; W15-F19 HydrophobicContact CD2-CE2 4.09Å; W15-F19 AromaticContact CE3-CD2 3.76Å; W15-F19 HydrophobicContact CE3-CD2 3.76Å; W15-F19 AromaticContact CE3-CE2 3.18Å; W15-F19 HydrophobicContact CE3-CE2 3.18Å; W15-F19 AromaticContact CE3-CZ 3.7Å; W15-F19 HydrophobicContact CE3-CZ 3.7Å; W15-F19 HydrophobicContact CZ3-CD2 4.45Å; W15-F19 HydrophobicContact CZ3-CE1 4.42Å; W15-F19 AromaticContact CZ3-CE2 3.57Å; W15-F19 HydrophobicContact CZ3-CE2 3.57Å; W15-F19 AromaticContact CZ3-CZ 3.54Å; W15-F19 HydrophobicContact CZ3-CZ 3.54Å; W15-F19 WeakPolarHBondContact O-CB 3.12Å; W15-F19 WeakPolarHBondContact O-CD2 3.4Å; W15-F19 PolarHBondContact O-N 2.93Å |
| 16 | G | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T12 F14 G20 W50 W315 | T12-G16 PolarHBondContact O-N 3.07Å; F14-G16 VanDerWaalsContact C-N 3.34Å; F14-G16 PolarHBondContact O-N 3.44Å; G16-G20 VanDerWaalsContact O-CA 3.3Å; G16-G20 WeakPolarHBondContact O-CA 3Å; G16-G20 PolarHBondContact O-N 2.9Å; G16-W50 VanDerWaalsContact C-CD1 3.5Å; G16-W315 WeakPolarHBondContact O-CZ3 3.48Å |
| 17 | S | 97.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.3 | -37.5 | 179.7 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | L13 F14 S21 G120 | L13-S17 WeakPolarHBondContact O-CB 3.2Å; L13-S17 PolarHBondContact O-N 3.26Å; L13-S17 PolarHBondContact O-OG 2.99Å; F14-S17 PolarHBondContact O-N 3.28Å; F14-S17 PolarHBondContact O-OG 3.13Å; S17-S21 VanDerWaalsContact O-CB 3.31Å; S17-S21 WeakPolarHBondContact O-CB 3.37Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 PolarHBondContact O-OG 3.26Å; S17-G120 WeakPolarHBondContact O-CA 3.45Å |
| 18 | F | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 10% | 0.101 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -56.3 | 179.2 | -176.2 | -105.8 | 0 | 0 | 0 | 111.7 | F14 W15 S21 I22 P119 W123 F336 I340 | F14-F18 HydrophobicContact CE1-CB 4.46Å; F14-F18 HydrophobicContact CZ-CB 4.42Å; F14-F18 HydrophobicContact CZ-CD2 4.31Å; F14-F18 HydrophobicContact CZ-CG 4.41Å; F14-F18 WeakPolarHBondContact O-CB 3.48Å; F14-F18 PolarHBondContact O-N 3.2Å; W15-F18 HydrophobicContact CE3-CD1 4.13Å; W15-F18 HydrophobicContact CZ3-CD1 4.02Å; W15-F18 HydrophobicContact CZ3-CE1 4.33Å; W15-F18 PolarHBondContact O-N 2.88Å; F18-S21 PolarHBondContact O-N 3.47Å; F18-I22 HydrophobicContact CD1-CD1 4.25Å; F18-I22 HydrophobicContact CE1-CD1 3.85Å; F18-I22 HydrophobicContact CE2-CD1 4.16Å; F18-I22 HydrophobicContact CZ-CD1 3.79Å; F18-I22 WeakPolarHBondContact O-CG1 3.43Å; F18-I22 PolarHBondContact O-N 2.94Å; F18-P119 HydrophobicContact CD2-CB 4.11Å; F18-P119 HydrophobicContact CE2-CB 4.23Å; F18-W123 HydrophobicContact CD2-CE3 4.42Å; F18-W123 HydrophobicContact CD2-CH2 4.21Å; F18-W123 AromaticContact CD2-CZ3 3.67Å; F18-W123 HydrophobicContact CD2-CZ3 3.67Å; F18-W123 AromaticContact CE2-CH2 3.63Å; F18-W123 HydrophobicContact CE2-CH2 3.63Å; F18-W123 AromaticContact CE2-CZ3 3.44Å; F18-W123 HydrophobicContact CE2-CZ3 3.44Å; F18-W123 VanDerWaalsContact CE2-CZ3 3.44Å; F18-W123 HydrophobicContact CZ-CZ3 4.43Å; F18-F336 AromaticContact CE1-CE2 3.71Å; F18-F336 HydrophobicContact CE1-CE2 3.71Å; F18-F336 AromaticContact CE1-CZ 3.81Å; F18-F336 HydrophobicContact CE1-CZ 3.81Å; F18-F336 HydrophobicContact CZ-CE2 4.13Å; F18-F336 HydrophobicContact CZ-CZ 4.01Å; F18-I340 HydrophobicContact CZ-CD1 3.89Å; F18-I340 HydrophobicContact CZ-CG1 4.46Å |
| 19 | F | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.5 | -34 | 176.9 | -71.4 | -51.2 | 0 | 0 | 0 | 112.5 | W15 S21 I22 F23 F318 M322 C323 I326 F336 | W15-F19 HydrophobicContact CB-CD2 4.45Å; W15-F19 HydrophobicContact CD2-CE2 4.09Å; W15-F19 AromaticContact CE3-CD2 3.76Å; W15-F19 HydrophobicContact CE3-CD2 3.76Å; W15-F19 AromaticContact CE3-CE2 3.18Å; W15-F19 HydrophobicContact CE3-CE2 3.18Å; W15-F19 AromaticContact CE3-CZ 3.7Å; W15-F19 HydrophobicContact CE3-CZ 3.7Å; W15-F19 HydrophobicContact CZ3-CD2 4.45Å; W15-F19 HydrophobicContact CZ3-CE1 4.42Å; W15-F19 AromaticContact CZ3-CE2 3.57Å; W15-F19 HydrophobicContact CZ3-CE2 3.57Å; W15-F19 AromaticContact CZ3-CZ 3.54Å; W15-F19 HydrophobicContact CZ3-CZ 3.54Å; W15-F19 WeakPolarHBondContact O-CB 3.12Å; W15-F19 WeakPolarHBondContact O-CD2 3.4Å; W15-F19 PolarHBondContact O-N 2.93Å; F19-S21 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 2.89Å; F19-I22 PolarHBondContact O-N 2.93Å; F19-F23 HydrophobicContact CB-CD2 4.25Å; F19-F23 AromaticContact CD1-CD2 3.88Å; F19-F23 HydrophobicContact CD1-CD2 3.88Å; F19-F23 AromaticContact CD1-CE2 3.65Å; F19-F23 HydrophobicContact CD1-CE2 3.65Å; F19-F23 HydrophobicContact CE1-CE2 4.16Å; F19-F23 HydrophobicContact CG-CD2 4.49Å; F19-F23 WeakPolarHBondContact O-CB 3.34Å; F19-F23 PolarHBondContact O-N 2.85Å; F19-F318 HydrophobicContact CB-CD1 4.43Å; F19-F318 HydrophobicContact CB-CE1 3.75Å; F19-M322 HydrophobicContact CB-CB 4.36Å; F19-M322 HydrophobicContact CB-CG 4.17Å; F19-M322 HydrophobicContact CD1-CB 3.89Å; F19-M322 HydrophobicContact CD1-CG 4.5Å; F19-M322 HydrophobicContact CD2-CB 4.3Å; F19-M322 HydrophobicContact CE1-CB 4.19Å; F19-M322 HydrophobicContact CG-CB 3.94Å; F19-M322 HydrophobicContact CG-CG 4.3Å; F19-C323 VanDerWaalsContact CE2-SG 3.6Å; F19-C323 WeakPolarHBondContact CZ-SG 3.33Å; F19-I326 HydrophobicContact CE1-CD1 3.79Å; F19-I326 HydrophobicContact CZ-CD1 4.48Å; F19-F336 HydrophobicContact CD1-CE2 4.43Å; F19-F336 AromaticContact CE1-CE2 3.98Å; F19-F336 HydrophobicContact CE1-CE2 3.98Å |
| 20 | G | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 6% | 0.062 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -59.9 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G16 I22 M24 L25 | G16-G20 VanDerWaalsContact O-CA 3.3Å; G16-G20 WeakPolarHBondContact O-CA 3Å; G16-G20 PolarHBondContact O-N 2.9Å; G20-I22 PolarHBondContact O-N 2.69Å; G20-M24 CarbonylContact O-C 3.57Å; G20-M24 VanDerWaalsContact O-CA 3.32Å; G20-M24 WeakPolarHBondContact O-CA 3.44Å; G20-M24 WeakPolarHBondContact O-CB 3.33Å; G20-M24 PolarHBondContact O-N 3.44Å; G20-L25 PolarHBondContact O-N 3.46Å |
| 21 | S | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -61 | -44.8 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | S17 F18 F19 L25 G26 G120 A124 F343 | S17-S21 VanDerWaalsContact O-CB 3.31Å; S17-S21 WeakPolarHBondContact O-CB 3.37Å; S17-S21 PolarHBondContact O-N 3.39Å; S17-S21 PolarHBondContact O-OG 3.26Å; F18-S21 PolarHBondContact O-N 3.47Å; F19-S21 VanDerWaalsContact C-N 3.33Å; F19-S21 PolarHBondContact O-N 2.89Å; S21-L25 WeakPolarHBondContact O-CB 3.46Å; S21-G26 PolarHBondContact O-N 3.49Å; S21-G120 PolarHBondContact OG-O 3.41Å; S21-A124 PolarHBondContact OG-N 3.37Å; S21-F343 WeakPolarHBondContact O-CE2 3.41Å; S21-F343 WeakPolarHBondContact O-CZ 3.28Å |
| 22 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -75.4 | -49.2 | -175.2 | -64.9 | 167.3 | 0 | 0 | 0 | 111.8 | F18 F19 G20 G26 W123 Y335 F336 T339 I340 | F18-I22 HydrophobicContact CD1-CD1 4.25Å; F18-I22 HydrophobicContact CE1-CD1 3.85Å; F18-I22 HydrophobicContact CE2-CD1 4.16Å; F18-I22 HydrophobicContact CZ-CD1 3.79Å; F18-I22 WeakPolarHBondContact O-CG1 3.43Å; F18-I22 PolarHBondContact O-N 2.94Å; F19-I22 PolarHBondContact O-N 2.93Å; G20-I22 PolarHBondContact O-N 2.69Å; I22-G26 WeakPolarHBondContact O-CA 3.35Å; I22-W123 HydrophobicContact CD1-CZ3 4.26Å; I22-W123 HydrophobicContact CG1-CZ3 4.31Å; I22-Y335 HydrophobicContact CG2-CD1 4.43Å; I22-Y335 HydrophobicContact CG2-CE1 3.89Å; I22-Y335 WeakPolarHBondContact O-CE1 3.47Å; I22-Y335 PolarHBondContact O-OH 3.4Å; I22-F336 HydrophobicContact CD1-CD2 3.7Å; I22-F336 HydrophobicContact CD1-CE2 3.44Å; I22-F336 VanDerWaalsContact CD1-CE2 3.44Å; I22-F336 HydrophobicContact CD1-CZ 4.4Å; I22-F336 HydrophobicContact CG2-CD2 4.03Å; I22-T339 HydrophobicContact CB-CG2 4.27Å; I22-T339 HydrophobicContact CG1-CG2 4.3Å; I22-T339 HydrophobicContact CG2-CG2 3.96Å; I22-I340 HydrophobicContact CD1-CD1 3.97Å; I22-I340 HydrophobicContact CD1-CG1 3.66Å; I22-I340 HydrophobicContact CG1-CG1 4.35Å |
| 23 | F | 98.4 | Very high | 97.3 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -101.6 | -19.7 | -168.1 | -66.3 | -70.9 | 0 | 0 | 0 | 114.2 | F19 P27 F318 M322 I326 V332 Y335 F336 | F19-F23 HydrophobicContact CB-CD2 4.25Å; F19-F23 AromaticContact CD1-CD2 3.88Å; F19-F23 HydrophobicContact CD1-CD2 3.88Å; F19-F23 AromaticContact CD1-CE2 3.65Å; F19-F23 HydrophobicContact CD1-CE2 3.65Å; F19-F23 HydrophobicContact CE1-CE2 4.16Å; F19-F23 HydrophobicContact CG-CD2 4.49Å; F19-F23 WeakPolarHBondContact O-CB 3.34Å; F19-F23 PolarHBondContact O-N 2.85Å; F23-P27 WeakPolarHBondContact O-CG 3.43Å; F23-F318 HydrophobicContact CB-CZ 4.05Å; F23-M322 HydrophobicContact CB-CG 4.45Å; F23-M322 HydrophobicContact CB-SD 3.76Å; F23-M322 HydrophobicContact CD1-SD 4.06Å; F23-M322 HydrophobicContact CD2-CB 3.97Å; F23-M322 HydrophobicContact CD2-CG 3.67Å; F23-M322 HydrophobicContact CD2-SD 3.65Å; F23-M322 HydrophobicContact CE2-CB 3.93Å; F23-M322 HydrophobicContact CE2-CG 4.15Å; F23-M322 HydrophobicContact CE2-SD 4.21Å; F23-M322 HydrophobicContact CG-CG 4.18Å; F23-M322 HydrophobicContact CG-SD 3.55Å; F23-M322 VanDerWaalsContact CG-SD 3.55Å; F23-I326 HydrophobicContact CE2-CD1 3.99Å; F23-I326 HydrophobicContact CE2-CG1 4.43Å; F23-I326 HydrophobicContact CZ-CD1 3.93Å; F23-I326 HydrophobicContact CZ-CG1 3.9Å; F23-V332 HydrophobicContact CE1-CG1 3.79Å; F23-V332 HydrophobicContact CZ-CG1 3.99Å; F23-Y335 AromaticContact CD1-CD1 3.98Å; F23-Y335 HydrophobicContact CD1-CD1 3.98Å; F23-Y335 AromaticContact CD1-CE1 3.69Å; F23-Y335 HydrophobicContact CD1-CE1 3.69Å; F23-Y335 AromaticContact CE1-CD1 3.66Å; F23-Y335 HydrophobicContact CE1-CD1 3.66Å; F23-Y335 AromaticContact CE1-CE1 3.85Å; F23-Y335 HydrophobicContact CE1-CE1 3.85Å; F23-F336 AromaticContact CE2-CD2 3.95Å; F23-F336 HydrophobicContact CE2-CD2 3.95Å; F23-F336 HydrophobicContact CZ-CB 4.14Å; F23-F336 AromaticContact CZ-CD2 3.94Å; F23-F336 HydrophobicContact CZ-CD2 3.94Å; F23-F336 HydrophobicContact CZ-CG 4.49Å |
| 24 | M | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -99.8 | -47.2 | 173.4 | -56.9 | 175.2 | 63.1 | 0 | 0 | 111.8 | G20 F28 L46 Y314 W315 F318 | G20-M24 CarbonylContact O-C 3.57Å; G20-M24 VanDerWaalsContact O-CA 3.32Å; G20-M24 WeakPolarHBondContact O-CA 3.44Å; G20-M24 WeakPolarHBondContact O-CB 3.33Å; G20-M24 PolarHBondContact O-N 3.44Å; M24-F28 WeakPolarHBondContact O-CD2 3.13Å; M24-F28 WeakPolarHBondContact O-CE2 3.49Å; M24-L46 HydrophobicContact CE-CB 4.49Å; M24-L46 HydrophobicContact CE-CD2 3.82Å; M24-L46 WeakPolarHBondContact O-CD1 3.5Å; M24-Y314 HydrophobicContact CE-CE1 4.4Å; M24-Y314 HydrophobicContact SD-CE1 4.19Å; M24-Y314 PolarHBondContact SD-OH 3.01Å; M24-Y314 VanDerWaalsContact SD-OH 3.36Å; M24-W315 HydrophobicContact CE-CH2 4.34Å; M24-W315 HydrophobicContact SD-CH2 3.38Å; M24-W315 WeakPolarHBondContact SD-CH2 3.47Å; M24-W315 HydrophobicContact SD-CZ2 4.08Å; M24-W315 HydrophobicContact SD-CZ3 4.01Å; M24-F318 HydrophobicContact CG-CE1 4.43Å; M24-F318 HydrophobicContact CG-CE2 4.19Å; M24-F318 HydrophobicContact CG-CZ 3.74Å; M24-F318 HydrophobicContact SD-CE1 4.31Å; M24-F318 HydrophobicContact SD-CZ 4.09Å |
| 25 | L | 98 | Very high | 96.9 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -86 | -39.4 | -177.5 | -56.4 | 176.8 | 0 | 0 | 0 | 112.6 | G20 S21 P27 F28 L29 N43 L46 V47 A124 A127 | G20-L25 PolarHBondContact O-N 3.46Å; S21-L25 WeakPolarHBondContact O-CB 3.46Å; L25-P27 VanDerWaalsContact C-CD 3.47Å; L25-F28 PolarHBondContact O-N 2.92Å; L25-L29 PolarHBondContact O-N 3.04Å; L25-N43 HydrophobicContact CD2-CB 4.47Å; L25-L46 HydrophobicContact CD2-CB 3.63Å; L25-L46 HydrophobicContact CD2-CD1 3.91Å; L25-L46 HydrophobicContact CD2-CG 4.44Å; L25-V47 HydrophobicContact CD1-CG2 4.1Å; L25-V47 HydrophobicContact CD2-CG2 4.12Å; L25-A124 HydrophobicContact CD1-CB 3.93Å; L25-A127 HydrophobicContact CD1-CB 3.93Å |
| 26 | G | 97.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -47.4 | -47.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | S21 I22 F28 L29 Y335 | S21-G26 PolarHBondContact O-N 3.49Å; I22-G26 WeakPolarHBondContact O-CA 3.35Å; G26-F28 PolarHBondContact O-N 3.29Å; G26-F28 VanDerWaalsContact O-N 3.15Å; G26-L29 WeakPolarHBondContact O-CB 3.03Å; G26-L29 WeakPolarHBondContact O-CG 3.26Å; G26-L29 PolarHBondContact O-N 3.36Å; G26-L29 VanDerWaalsContact O-N 3.11Å; G26-Y335 WeakPolarHBondContact CA-OH 3.16Å |
| 27 | P | 97.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 34.8 Ų | 34.8 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -63.1 | -23.8 | -178.8 | -24.3 | 36 | 0 | 0 | 0 | 114.1 | F23 L25 Y335 | F23-P27 WeakPolarHBondContact O-CG 3.43Å; L25-P27 VanDerWaalsContact C-CD 3.47Å; P27-Y335 WeakPolarHBondContact CD-OH 3.39Å; P27-Y335 WeakPolarHBondContact CG-OH 3.46Å |
| 28 | F | 97.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 32% | 0.32 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -94.3 | -4.5 | -179.8 | -60.8 | -79.2 | 0 | 0 | 0 | 113.1 | M24 L25 G26 P30 L31 Y39 I42 L46 | M24-F28 WeakPolarHBondContact O-CD2 3.13Å; M24-F28 WeakPolarHBondContact O-CE2 3.49Å; L25-F28 PolarHBondContact O-N 2.92Å; G26-F28 PolarHBondContact O-N 3.29Å; G26-F28 VanDerWaalsContact O-N 3.15Å; F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 VanDerWaalsContact C-N 3.33Å; F28-L31 HydrophobicContact CD1-CD2 4.47Å; F28-L31 WeakPolarHBondContact O-CB 3.4Å; F28-L31 PolarHBondContact O-N 3.07Å; F28-Y39 WeakPolarHBondContact O-CD2 3.41Å; F28-Y39 WeakPolarHBondContact O-CE2 3.38Å; F28-I42 HydrophobicContact CD1-CD1 3.93Å; F28-I42 HydrophobicContact CD1-CG2 3.93Å; F28-I42 HydrophobicContact CD2-CG2 4.04Å; F28-I42 HydrophobicContact CE1-CD1 3.97Å; F28-I42 HydrophobicContact CE1-CG2 4.05Å; F28-I42 HydrophobicContact CE2-CG2 4.17Å; F28-I42 HydrophobicContact CG-CG2 3.93Å; F28-I42 HydrophobicContact CZ-CG2 4.16Å; F28-L46 HydrophobicContact CD2-CD1 3.64Å; F28-L46 HydrophobicContact CE2-CD1 3.69Å |
| 29 | L | 96.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -53.2 | -43.4 | 176.4 | -64.7 | -179.6 | 0 | 0 | 0 | 113.1 | L25 G26 L31 M32 Y39 I342 F343 L353 | L25-L29 PolarHBondContact O-N 3.04Å; G26-L29 WeakPolarHBondContact O-CB 3.03Å; G26-L29 WeakPolarHBondContact O-CG 3.26Å; G26-L29 PolarHBondContact O-N 3.36Å; G26-L29 VanDerWaalsContact O-N 3.11Å; L29-L31 PolarHBondContact O-N 3.25Å; L29-L31 VanDerWaalsContact O-N 3.13Å; L29-M32 HydrophobicContact CB-CE 4.11Å; L29-M32 HydrophobicContact CD2-CE 3.75Å; L29-M32 VanDerWaalsContact O-CE 3.27Å; L29-M32 WeakPolarHBondContact O-CE 3.43Å; L29-M32 VanDerWaalsContact O-CG 3.22Å; L29-M32 WeakPolarHBondContact O-CG 3.36Å; L29-M32 PolarHBondContact O-N 2.72Å; L29-Y39 HydrophobicContact CD2-CE2 4.24Å; L29-I342 HydrophobicContact CD1-CG2 4.14Å; L29-F343 HydrophobicContact CD1-CE2 4.41Å; L29-F343 HydrophobicContact CD1-CZ 4.19Å; L29-L353 HydrophobicContact CD2-CD1 3.72Å; L29-L353 HydrophobicContact CD2-CD2 4.34Å |
| 30 | P | 96.5 | Very high | 95.5 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -60.7 | -25.1 | 178.1 | -25.1 | 36.4 | 0 | 0 | 0 | 114.1 | F28 M32 F33 | F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 VanDerWaalsContact C-N 3.33Å; P30-M32 PolarHBondContact O-N 3.23Å; P30-F33 PolarHBondContact O-N 3.25Å; P30-F33 VanDerWaalsContact O-N 3.15Å |
| 31 | L | 95.6 | Very high | 95.2 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -64.2 | -24.9 | -179 | -171.8 | 58.1 | 0 | 0 | 0 | 112 | F28 L29 F33 V34 N35 W38 Y39 I42 | F28-L31 HydrophobicContact CD1-CD2 4.47Å; F28-L31 WeakPolarHBondContact O-CB 3.4Å; F28-L31 PolarHBondContact O-N 3.07Å; L29-L31 PolarHBondContact O-N 3.25Å; L29-L31 VanDerWaalsContact O-N 3.13Å; L31-F33 PolarHBondContact O-N 3.35Å; L31-V34 PolarHBondContact O-N 2.92Å; L31-V34 VanDerWaalsContact O-N 3.13Å; L31-N35 HydrophobicContact CD1-CB 4.21Å; L31-N35 CarbonylContact O-C 3.5Å; L31-N35 PolarHBondContact O-N 3.17Å; L31-W38 HydrophobicContact CD2-CB 4.08Å; L31-W38 HydrophobicContact CG-CB 4.49Å; L31-Y39 HydrophobicContact CB-CD2 4.39Å; L31-I42 HydrophobicContact CD2-CD1 3.72Å |
| 32 | M | 94.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.3 | -29.8 | 176.6 | 81.3 | -179 | 66.1 | 0 | 0 | 112.7 | L29 P30 P36 Y39 L353 I356 C360 | L29-M32 HydrophobicContact CB-CE 4.11Å; L29-M32 HydrophobicContact CD2-CE 3.75Å; L29-M32 VanDerWaalsContact O-CE 3.27Å; L29-M32 WeakPolarHBondContact O-CE 3.43Å; L29-M32 VanDerWaalsContact O-CG 3.22Å; L29-M32 WeakPolarHBondContact O-CG 3.36Å; L29-M32 PolarHBondContact O-N 2.72Å; P30-M32 PolarHBondContact O-N 3.23Å; M32-P36 WeakPolarHBondContact O-CG 3.27Å; M32-Y39 HydrophobicContact CB-CD1 3.78Å; M32-Y39 HydrophobicContact CB-CD2 4.04Å; M32-Y39 HydrophobicContact CB-CE1 4.03Å; M32-Y39 HydrophobicContact CB-CE2 4.25Å; M32-Y39 HydrophobicContact CB-CG 3.78Å; M32-Y39 HydrophobicContact CE-CE1 4.24Å; M32-Y39 HydrophobicContact CE-CE2 3.92Å; M32-Y39 WeakPolarHBondContact CE-OH 3.2Å; M32-L353 HydrophobicContact CE-CD2 4.31Å; M32-I356 HydrophobicContact SD-CB 4.26Å; M32-I356 HydrophobicContact SD-CG2 3.57Å; M32-I356 VanDerWaalsContact SD-CG2 3.57Å; M32-C360 WeakPolarHBondContact O-CB 3.46Å |
| 33 | F | 94.8 | Very high | 95 | Very high | 123 Ų | 123 | 47 Ų | 47 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -82.6 | -15.6 | 180 | -57 | -75.3 | 0 | 0 | 0 | 113.2 | P30 L31 I356 C360 | P30-F33 PolarHBondContact O-N 3.25Å; P30-F33 VanDerWaalsContact O-N 3.15Å; L31-F33 PolarHBondContact O-N 3.35Å; F33-I356 HydrophobicContact CE1-CG2 4.05Å; F33-I356 HydrophobicContact CZ-CG2 4.07Å; F33-C360 WeakPolarHBondContact CD1-SG 3.49Å; F33-C360 VanDerWaalsContact CE1-SG 3.5Å |
| 34 | V | 93.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 68% | 0.679 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -46.9 | -175.9 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | L31 | L31-V34 PolarHBondContact O-N 2.92Å; L31-V34 VanDerWaalsContact O-N 3.13Å |
| 35 | N | 91.6 | Very high | 94.8 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 31% | 0.305 | 24% | 0.24 | S | C | . | . | trans | -149.2 | 90.6 | -179.4 | -163.9 | -50.9 | 0 | 0 | 0 | 111.2 | L31 S37 W38 Y39 | L31-N35 HydrophobicContact CD1-CB 4.21Å; L31-N35 CarbonylContact O-C 3.5Å; L31-N35 PolarHBondContact O-N 3.17Å; N35-S37 VanDerWaalsContact C-N 3.3Å; N35-S37 PolarHBondContact O-N 2.87Å; N35-S37 PolarHBondContact OD1-N 2.88Å; N35-W38 HydrophobicContact CB-CB 4.16Å; N35-W38 VanDerWaalsContact CG-CD1 3.47Å; N35-W38 PolarHBondContact O-N 3.47Å; N35-W38 PolarHBondContact OD1-N 3.15Å; N35-Y39 PolarHBondContact O-N 3.43Å | ||
| 36 | P | 90.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -38.8 | -180 | -25.3 | 31.2 | 0 | 0 | 0 | 113.6 | M32 Y39 R40 Y361 L364 | M32-P36 WeakPolarHBondContact O-CG 3.27Å; P36-Y39 WeakPolarHBondContact O-CB 3.26Å; P36-Y39 PolarHBondContact O-N 3.15Å; P36-R40 VanDerWaalsContact O-CB 3.24Å; P36-R40 WeakPolarHBondContact O-CB 3.47Å; P36-R40 PolarHBondContact O-N 2.97Å; P36-Y361 HydrophobicContact CB-CD2 4.1Å; P36-Y361 HydrophobicContact CG-CD2 4.48Å; P36-L364 VanDerWaalsContact CD-CD1 3.41Å; P36-L364 HydrophobicContact CG-CD1 3.65Å |
| 37 | S | 88.9 | Confident | 94.8 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | -179.7 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | N35 W41 | N35-S37 VanDerWaalsContact C-N 3.3Å; N35-S37 PolarHBondContact O-N 2.87Å; N35-S37 PolarHBondContact OD1-N 2.88Å; S37-W41 WeakPolarHBondContact O-CB 3.47Å; S37-W41 PolarHBondContact O-N 3.33Å |
| 38 | W | 91.4 | Very high | 94.7 | Very high | 146 Ų | 146 | 47.7 Ų | 47.7 | 55% | 0.553 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.6 | -41.5 | 174.2 | -86.3 | 91.4 | 0 | 0 | 0 | 112.2 | L31 N35 R40 W41 I42 | L31-W38 HydrophobicContact CD2-CB 4.08Å; L31-W38 HydrophobicContact CG-CB 4.49Å; N35-W38 HydrophobicContact CB-CB 4.16Å; N35-W38 VanDerWaalsContact CG-CD1 3.47Å; N35-W38 PolarHBondContact O-N 3.47Å; N35-W38 PolarHBondContact OD1-N 3.15Å; W38-R40 VanDerWaalsContact C-N 3.31Å; W38-R40 PolarHBondContact O-N 3.43Å; W38-W41 HydrophobicContact CE3-CE3 4.32Å; W38-W41 HydrophobicContact CZ3-CE3 4.26Å; W38-W41 HydrophobicContact CZ3-CZ3 4.25Å; W38-W41 PolarHBondContact O-N 3.03Å; W38-I42 HydrophobicContact CE3-CD1 4.43Å; W38-I42 WeakPolarHBondContact O-CB 3.38Å; W38-I42 VanDerWaalsContact O-CG1 3.31Å; W38-I42 WeakPolarHBondContact O-CG1 3.45Å; W38-I42 PolarHBondContact O-N 3.43Å |
| 39 | Y | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.2 | -50.5 | 172.9 | 171 | -105.7 | 0 | 0 | 0 | 111.3 | F28 L29 L31 M32 N35 P36 I42 N43 E357 | F28-Y39 WeakPolarHBondContact O-CD2 3.41Å; F28-Y39 WeakPolarHBondContact O-CE2 3.38Å; L29-Y39 HydrophobicContact CD2-CE2 4.24Å; L31-Y39 HydrophobicContact CB-CD2 4.39Å; M32-Y39 HydrophobicContact CB-CD1 3.78Å; M32-Y39 HydrophobicContact CB-CD2 4.04Å; M32-Y39 HydrophobicContact CB-CE1 4.03Å; M32-Y39 HydrophobicContact CB-CE2 4.25Å; M32-Y39 HydrophobicContact CB-CG 3.78Å; M32-Y39 HydrophobicContact CE-CE1 4.24Å; M32-Y39 HydrophobicContact CE-CE2 3.92Å; M32-Y39 WeakPolarHBondContact CE-OH 3.2Å; N35-Y39 PolarHBondContact O-N 3.43Å; P36-Y39 WeakPolarHBondContact O-CB 3.26Å; P36-Y39 PolarHBondContact O-N 3.15Å; Y39-I42 PolarHBondContact O-N 2.98Å; Y39-N43 WeakPolarHBondContact CE2-ND2 3.19Å; Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 3.14Å; Y39-N43 PolarHBondContact OH-ND2 3.1Å; Y39-E357 HydrophobicContact CD1-CG 4.05Å; Y39-E357 HydrophobicContact CE1-CB 4.31Å; Y39-E357 HydrophobicContact CE1-CG 4.03Å |
| 40 | R | 94.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 178.8 | -179.6 | 47 | 43.7 | -140.9 | -10.9 | 112.4 | P36 W38 I42 N43 N44 A127 A128 A129 I154 E156 E357 | P36-R40 VanDerWaalsContact O-CB 3.24Å; P36-R40 WeakPolarHBondContact O-CB 3.47Å; P36-R40 PolarHBondContact O-N 2.97Å; W38-R40 VanDerWaalsContact C-N 3.31Å; W38-R40 PolarHBondContact O-N 3.43Å; R40-I42 PolarHBondContact O-N 3.37Å; R40-N43 PolarHBondContact O-N 2.93Å; R40-N44 WeakPolarHBondContact CD-ND2 3.25Å; R40-N44 PolarHBondContact NH1-OD1 3.31Å; R40-N44 WeakPolarHBondContact O-CB 3.36Å; R40-N44 VanDerWaalsContact O-CG 3.23Å; R40-N44 PolarHBondContact O-N 3.07Å; R40-A127 PolarHBondContact NH1-O 2.94Å; R40-A127 VanDerWaalsContact NH1-O 3.14Å; R40-A127 PolarHBondContact NH2-O 3.5Å; R40-A128 VanDerWaalsContact NH1-CA 3.29Å; R40-A128 PolarHBondContact NH1-O 3.49Å; R40-A128 VanDerWaalsContact NH1-O 3.14Å; R40-A129 VanDerWaalsContact CZ-CB 3.4Å; R40-I154 HydrophobicContact CG-CD1 3.65Å; R40-E156 VanDerWaalsContact CD-OE2 3.3Å; R40-E156 WeakPolarHBondContact CD-OE2 3.2Å; R40-E156 WeakPolarHBondContact CG-OE2 3.12Å; R40-E357 IonicContact CZ-OE1 2.96Å; R40-E357 IonicContact CZ-OE2 3.27Å; R40-E357 IonicContact NE-OE1 3.64Å; R40-E357 PolarHBondContact NE-OE1 3.1Å; R40-E357 IonicContact NE-OE2 3.14Å; R40-E357 IonicContact NH2-OE1 2.6Å; R40-E357 PolarHBondContact NH2-OE1 3.43Å; R40-E357 IonicContact NH2-OE2 2.87Å; R40-E357 PolarHBondContact NH2-OE2 3.21Å |
| 41 | W | 93.1 | Very high | 94.9 | Very high | 116 Ų | 116 | 43.4 Ų | 43.4 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 178.9 | -177.8 | 101 | 0 | 0 | 0 | 113.3 | S37 W38 R45 | S37-W41 WeakPolarHBondContact O-CB 3.47Å; S37-W41 PolarHBondContact O-N 3.33Å; W38-W41 HydrophobicContact CE3-CE3 4.32Å; W38-W41 HydrophobicContact CZ3-CE3 4.26Å; W38-W41 HydrophobicContact CZ3-CZ3 4.25Å; W38-W41 PolarHBondContact O-N 3.03Å; W41-R45 VanDerWaalsContact CZ2-NE 3.26Å; W41-R45 VanDerWaalsContact NE1-NH2 3.18Å; W41-R45 PolarHBondContact O-NH1 3.05Å |
| 42 | I | 95.6 | Very high | 95 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.5 | -51.4 | 178.1 | -68.5 | 177.3 | 0 | 0 | 0 | 109.7 | F28 L31 W38 Y39 R40 N44 R45 L46 | F28-I42 HydrophobicContact CD1-CD1 3.93Å; F28-I42 HydrophobicContact CD1-CG2 3.93Å; F28-I42 HydrophobicContact CD2-CG2 4.04Å; F28-I42 HydrophobicContact CE1-CD1 3.97Å; F28-I42 HydrophobicContact CE1-CG2 4.05Å; F28-I42 HydrophobicContact CE2-CG2 4.17Å; F28-I42 HydrophobicContact CG-CG2 3.93Å; F28-I42 HydrophobicContact CZ-CG2 4.16Å; L31-I42 HydrophobicContact CD2-CD1 3.72Å; W38-I42 HydrophobicContact CE3-CD1 4.43Å; W38-I42 WeakPolarHBondContact O-CB 3.38Å; W38-I42 VanDerWaalsContact O-CG1 3.31Å; W38-I42 WeakPolarHBondContact O-CG1 3.45Å; W38-I42 PolarHBondContact O-N 3.43Å; Y39-I42 PolarHBondContact O-N 2.98Å; R40-I42 PolarHBondContact O-N 3.37Å; I42-N44 VanDerWaalsContact C-N 3.33Å; I42-N44 PolarHBondContact O-N 3.36Å; I42-R45 WeakPolarHBondContact O-CB 3.21Å; I42-R45 PolarHBondContact O-N 3.43Å; I42-L46 HydrophobicContact CG2-CD1 3.67Å; I42-L46 HydrophobicContact CG2-CG 4.13Å; I42-L46 WeakPolarHBondContact O-CG 3.14Å; I42-L46 PolarHBondContact O-N 3.08Å |
| 43 | N | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | -176.6 | -82.2 | 8.8 | 0 | 0 | 0 | 112.6 | L25 Y39 R40 R45 L46 V47 A127 | L25-N43 HydrophobicContact CD2-CB 4.47Å; Y39-N43 WeakPolarHBondContact CE2-ND2 3.19Å; Y39-N43 WeakPolarHBondContact O-CB 3.35Å; Y39-N43 PolarHBondContact O-N 3.14Å; Y39-N43 PolarHBondContact OH-ND2 3.1Å; R40-N43 PolarHBondContact O-N 2.93Å; N43-R45 PolarHBondContact O-N 2.9Å; N43-L46 PolarHBondContact O-N 3.39Å; N43-V47 WeakPolarHBondContact O-CB 3.31Å; N43-V47 WeakPolarHBondContact O-CG2 3.46Å; N43-V47 PolarHBondContact O-N 2.89Å; N43-A127 PolarHBondContact ND2-O 3.5Å |
| 44 | N | 95.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -33.6 | 177 | -74 | -6.4 | 0 | 0 | 0 | 112 | R40 I42 A48 R105 K108 E156 | R40-N44 WeakPolarHBondContact CD-ND2 3.25Å; R40-N44 PolarHBondContact NH1-OD1 3.31Å; R40-N44 WeakPolarHBondContact O-CB 3.36Å; R40-N44 VanDerWaalsContact O-CG 3.23Å; R40-N44 PolarHBondContact O-N 3.07Å; I42-N44 VanDerWaalsContact C-N 3.33Å; I42-N44 PolarHBondContact O-N 3.36Å; N44-A48 VanDerWaalsContact O-CB 3.23Å; N44-A48 WeakPolarHBondContact O-CB 3.49Å; N44-A48 PolarHBondContact O-N 3.28Å; N44-R105 HydrophobicContact CB-CB 4.42Å; N44-R105 WeakPolarHBondContact O-CB 3.4Å; N44-K108 PolarHBondContact OD1-NZ 2.92Å; N44-E156 PolarHBondContact ND2-OE1 2.79Å; N44-E156 PolarHBondContact ND2-OE2 3.37Å |
| 45 | R | 96.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 31 Ų | 31 | 32% | 0.317 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -74.1 | -44.8 | 175.4 | -74.8 | 169.3 | 168.2 | 67.1 | -0 | 112.5 | W41 I42 N43 V47 A48 T49 | W41-R45 VanDerWaalsContact CZ2-NE 3.26Å; W41-R45 VanDerWaalsContact NE1-NH2 3.18Å; W41-R45 PolarHBondContact O-NH1 3.05Å; I42-R45 WeakPolarHBondContact O-CB 3.21Å; I42-R45 PolarHBondContact O-N 3.43Å; N43-R45 PolarHBondContact O-N 2.9Å; R45-V47 VanDerWaalsContact C-N 3.34Å; R45-A48 WeakPolarHBondContact O-CB 3.23Å; R45-A48 PolarHBondContact O-N 3.38Å; R45-T49 PolarHBondContact O-N 3.49Å; R45-T49 VanDerWaalsContact O-N 3.12Å |
| 46 | L | 97.5 | Very high | 95.7 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 19% | 0.194 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 178.1 | -65.5 | 175.4 | 0 | 0 | 0 | 111.9 | M24 L25 F28 I42 N43 T49 | M24-L46 HydrophobicContact CE-CB 4.49Å; M24-L46 HydrophobicContact CE-CD2 3.82Å; M24-L46 WeakPolarHBondContact O-CD1 3.5Å; L25-L46 HydrophobicContact CD2-CB 3.63Å; L25-L46 HydrophobicContact CD2-CD1 3.91Å; L25-L46 HydrophobicContact CD2-CG 4.44Å; F28-L46 HydrophobicContact CD2-CD1 3.64Å; F28-L46 HydrophobicContact CE2-CD1 3.69Å; I42-L46 HydrophobicContact CG2-CD1 3.67Å; I42-L46 HydrophobicContact CG2-CG 4.13Å; I42-L46 WeakPolarHBondContact O-CG 3.14Å; I42-L46 PolarHBondContact O-N 3.08Å; N43-L46 PolarHBondContact O-N 3.39Å; L46-T49 PolarHBondContact O-N 2.67Å; L46-T49 PolarHBondContact O-OG1 2.85Å |
| 47 | V | 97.4 | Very high | 96 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 9% | 0.085 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 174.7 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | L25 N43 R45 T49 W50 L51 A128 | L25-V47 HydrophobicContact CD1-CG2 4.1Å; L25-V47 HydrophobicContact CD2-CG2 4.12Å; N43-V47 WeakPolarHBondContact O-CB 3.31Å; N43-V47 WeakPolarHBondContact O-CG2 3.46Å; N43-V47 PolarHBondContact O-N 2.89Å; R45-V47 VanDerWaalsContact C-N 3.34Å; V47-T49 PolarHBondContact O-N 2.66Å; V47-W50 WeakPolarHBondContact O-CA 3.3Å; V47-W50 WeakPolarHBondContact O-CB 3.27Å; V47-W50 PolarHBondContact O-N 2.87Å; V47-L51 HydrophobicContact CG1-CD1 4.31Å; V47-L51 HydrophobicContact CG1-CG 4.21Å; V47-L51 WeakPolarHBondContact O-CG 3.31Å; V47-L51 PolarHBondContact O-N 3.15Å; V47-A128 HydrophobicContact CB-CB 4.33Å; V47-A128 HydrophobicContact CG1-CB 4.08Å; V47-A128 HydrophobicContact CG2-CB 3.78Å |
| 48 | A | 97 | Very high | 96.4 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 12% | 0.124 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -33.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N44 R45 W50 L51 T52 L104 R105 | N44-A48 VanDerWaalsContact O-CB 3.23Å; N44-A48 WeakPolarHBondContact O-CB 3.49Å; N44-A48 PolarHBondContact O-N 3.28Å; R45-A48 WeakPolarHBondContact O-CB 3.23Å; R45-A48 PolarHBondContact O-N 3.38Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 PolarHBondContact O-N 3.14Å; A48-L51 PolarHBondContact O-N 3.35Å; A48-T52 WeakPolarHBondContact O-CG2 3.41Å; A48-T52 PolarHBondContact O-N 2.81Å; A48-L104 HydrophobicContact CB-CB 4.35Å; A48-R105 HydrophobicContact CB-CB 3.76Å |
| 49 | T | 97.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 20 Ų | 20 | 34% | 0.344 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -67.2 | -29 | 173.8 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | R45 L46 V47 T52 W315 | R45-T49 PolarHBondContact O-N 3.49Å; R45-T49 VanDerWaalsContact O-N 3.12Å; L46-T49 PolarHBondContact O-N 2.67Å; L46-T49 PolarHBondContact O-OG1 2.85Å; V47-T49 PolarHBondContact O-N 2.66Å; T49-T52 PolarHBondContact O-OG1 3.45Å; T49-W315 PolarHBondContact O-NE1 3.43Å |
| 50 | W | 97.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -76.7 | -37.5 | 171.9 | -176.4 | 85.9 | 0 | 0 | 0 | 111.3 | L13 G16 V47 A48 T52 L53 P54 W95 F121 W315 | L13-W50 HydrophobicContact CB-CZ2 4.13Å; L13-W50 HydrophobicContact CD2-CZ2 4.03Å; L13-W50 PolarHBondContact O-NE1 3.24Å; G16-W50 VanDerWaalsContact C-CD1 3.5Å; V47-W50 WeakPolarHBondContact O-CA 3.3Å; V47-W50 WeakPolarHBondContact O-CB 3.27Å; V47-W50 PolarHBondContact O-N 2.87Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 PolarHBondContact O-N 3.14Å; W50-T52 PolarHBondContact O-N 2.91Å; W50-T52 VanDerWaalsContact O-N 3.13Å; W50-L53 WeakPolarHBondContact O-CB 3.4Å; W50-L53 PolarHBondContact O-N 3.37Å; W50-P54 WeakPolarHBondContact O-CD 3.46Å; W50-W95 HydrophobicContact CH2-CZ3 4.41Å; W50-W95 AromaticContact CZ3-CH2 3.92Å; W50-W95 HydrophobicContact CZ3-CH2 3.92Å; W50-W95 AromaticContact CZ3-CZ3 3.9Å; W50-W95 HydrophobicContact CZ3-CZ3 3.9Å; W50-F121 AromaticContact CH2-CD1 3.63Å; W50-F121 HydrophobicContact CH2-CD1 3.63Å; W50-F121 AromaticContact CH2-CE1 3.38Å; W50-F121 HydrophobicContact CH2-CE1 3.38Å; W50-F121 AromaticContact CZ2-CD1 3.85Å; W50-F121 HydrophobicContact CZ2-CD1 3.85Å; W50-F121 AromaticContact CZ2-CE1 3.34Å; W50-F121 HydrophobicContact CZ2-CE1 3.34Å; W50-F121 HydrophobicContact CZ2-CZ 4.28Å; W50-W315 VanDerWaalsContact CA-CZ2 3.44Å; W50-W315 HydrophobicContact CB-CH2 3.96Å; W50-W315 HydrophobicContact CB-CZ2 3.51Å; W50-W315 AromaticContact CD1-CH2 3.78Å; W50-W315 AromaticContact CD1-CZ2 3.82Å; W50-W315 HydrophobicContact CG-CH2 4.27Å; W50-W315 HydrophobicContact CG-CZ2 4.08Å |
| 51 | L | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -22.6 | 175.8 | -60.2 | -178.5 | 0 | 0 | 0 | 113.3 | V47 A48 L53 P54 W95 L104 | V47-L51 HydrophobicContact CG1-CD1 4.31Å; V47-L51 HydrophobicContact CG1-CG 4.21Å; V47-L51 WeakPolarHBondContact O-CG 3.31Å; V47-L51 PolarHBondContact O-N 3.15Å; A48-L51 PolarHBondContact O-N 3.35Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-P54 WeakPolarHBondContact O-CD 3.33Å; L51-P54 WeakPolarHBondContact O-CG 3.45Å; L51-W95 HydrophobicContact CD2-CD2 4.05Å; L51-W95 HydrophobicContact CD2-CE3 4.01Å; L51-W95 HydrophobicContact CD2-CH2 3.27Å; L51-W95 HydrophobicContact CD2-CZ2 3.39Å; L51-W95 HydrophobicContact CD2-CZ3 3.64Å; L51-L104 HydrophobicContact CB-CB 4.33Å; L51-L104 HydrophobicContact CB-CD1 4.1Å; L51-L104 HydrophobicContact CD1-CB 4.15Å; L51-L104 WeakPolarHBondContact CD1-O 3.48Å |
| 52 | T | 97.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 22 Ų | 22 | 13% | 0.129 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.6 | -25.4 | 173.3 | 64 | 0 | 0 | 0 | 0 | 113.6 | A48 T49 W50 A56 M99 L104 V307 S311 | A48-T52 WeakPolarHBondContact O-CG2 3.41Å; A48-T52 PolarHBondContact O-N 2.81Å; T49-T52 PolarHBondContact O-OG1 3.45Å; W50-T52 PolarHBondContact O-N 2.91Å; W50-T52 VanDerWaalsContact O-N 3.13Å; T52-A56 VanDerWaalsContact O-CB 3.3Å; T52-A56 WeakPolarHBondContact O-CB 3.34Å; T52-A56 PolarHBondContact O-N 2.87Å; T52-M99 VanDerWaalsContact CA-CE 3.49Å; T52-M99 HydrophobicContact CG2-CE 3.67Å; T52-L104 HydrophobicContact CG2-CD1 3.98Å; T52-V307 HydrophobicContact CG2-CG1 3.96Å; T52-S311 VanDerWaalsContact OG1-CB 3.3Å; T52-S311 WeakPolarHBondContact OG1-CB 3.27Å; T52-S311 PolarHBondContact OG1-OG 3.04Å |
| 53 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -53.8 | -179 | -178.7 | 60.7 | 0 | 0 | 0 | 113.4 | T12 L13 W50 L51 V55 A56 L57 S311 W315 | T12-L53 HydrophobicContact CG2-CD1 4.24Å; T12-L53 HydrophobicContact CG2-CD2 4.18Å; L13-L53 HydrophobicContact CD2-CB 4.44Å; L13-L53 HydrophobicContact CD2-CD2 3.98Å; L13-L53 HydrophobicContact CD2-CG 3.9Å; W50-L53 WeakPolarHBondContact O-CB 3.4Å; W50-L53 PolarHBondContact O-N 3.37Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L53-V55 VanDerWaalsContact C-N 3.31Å; L53-V55 PolarHBondContact O-N 3.27Å; L53-A56 PolarHBondContact O-N 2.89Å; L53-L57 HydrophobicContact CD1-CD1 3.96Å; L53-L57 HydrophobicContact CD1-CD2 4.36Å; L53-L57 HydrophobicContact CD1-CG 4Å; L53-L57 HydrophobicContact CG-CD1 3.99Å; L53-L57 HydrophobicContact CG-CG 4.41Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 3.26Å; L53-S311 WeakPolarHBondContact CA-OG 3.35Å; L53-S311 PolarHBondContact N-OG 3.35Å; L53-W315 HydrophobicContact CB-CG 4.28Å; L53-W315 HydrophobicContact CD1-CB 3.73Å; L53-W315 HydrophobicContact CD1-CG 4.02Å; L53-W315 HydrophobicContact CD2-CB 3.81Å; L53-W315 HydrophobicContact CD2-CD2 4.14Å; L53-W315 HydrophobicContact CD2-CG 3.71Å; L53-W315 HydrophobicContact CG-CB 4.31Å; L53-W315 HydrophobicContact CG-CG 4.22Å |
| 54 | P | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 178.5 | 21.7 | -31.8 | 0 | 0 | 0 | 111.9 | L13 W50 L51 A56 L57 L58 M92 W95 | L13-P54 HydrophobicContact CD1-CB 4.23Å; L13-P54 HydrophobicContact CD2-CB 3.83Å; L13-P54 HydrophobicContact CD2-CG 4.29Å; W50-P54 WeakPolarHBondContact O-CD 3.46Å; L51-P54 WeakPolarHBondContact O-CD 3.33Å; L51-P54 WeakPolarHBondContact O-CG 3.45Å; P54-A56 PolarHBondContact O-N 3.35Å; P54-L57 PolarHBondContact O-N 2.85Å; P54-L58 WeakPolarHBondContact O-CB 3.39Å; P54-L58 WeakPolarHBondContact O-CG 3.45Å; P54-L58 PolarHBondContact O-N 3.12Å; P54-M92 HydrophobicContact CB-CG 3.85Å; P54-M92 HydrophobicContact CB-SD 3.75Å; P54-M92 HydrophobicContact CG-CG 4.39Å; P54-W95 HydrophobicContact CB-CE3 4.42Å; P54-W95 HydrophobicContact CG-CE3 3.58Å; P54-W95 HydrophobicContact CG-CZ3 3.67Å |
| 55 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L53 L58 E59 W95 N96 M99 | L53-V55 VanDerWaalsContact C-N 3.31Å; L53-V55 PolarHBondContact O-N 3.27Å; V55-L58 PolarHBondContact O-N 3.49Å; V55-E59 PolarHBondContact O-N 2.79Å; V55-W95 VanDerWaalsContact CG2-C 3.47Å; V55-W95 HydrophobicContact CG2-CB 3.61Å; V55-N96 HydrophobicContact CG1-CB 4.4Å; V55-N96 WeakPolarHBondContact CG1-OD1 3.43Å; V55-M99 HydrophobicContact CB-CE 3.52Å; V55-M99 HydrophobicContact CB-SD 4.24Å; V55-M99 HydrophobicContact CG1-CB 4.33Å; V55-M99 HydrophobicContact CG1-CE 3.48Å; V55-M99 VanDerWaalsContact CG1-CE 3.48Å; V55-M99 HydrophobicContact CG1-SD 3.5Å; V55-M99 WeakPolarHBondContact CG1-SD 3.35Å; V55-M99 HydrophobicContact CG2-CE 3.99Å |
| 56 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -50.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T52 L53 P54 L58 E59 T60 K308 I312 | T52-A56 VanDerWaalsContact O-CB 3.3Å; T52-A56 WeakPolarHBondContact O-CB 3.34Å; T52-A56 PolarHBondContact O-N 2.87Å; L53-A56 PolarHBondContact O-N 2.89Å; P54-A56 PolarHBondContact O-N 3.35Å; A56-L58 PolarHBondContact O-N 2.97Å; A56-E59 PolarHBondContact O-N 2.84Å; A56-T60 WeakPolarHBondContact O-CB 3.39Å; A56-T60 WeakPolarHBondContact O-CG2 3.34Å; A56-T60 PolarHBondContact O-N 2.63Å; A56-T60 PolarHBondContact O-OG1 3.48Å; A56-K308 HydrophobicContact CB-CB 3.76Å; A56-K308 HydrophobicContact CB-CG 3.93Å; A56-I312 HydrophobicContact CB-CD1 3.85Å; A56-I312 HydrophobicContact CB-CG1 3.68Å |
| 57 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 179.9 | -61.7 | 171.5 | 0 | 0 | 0 | 112.1 | Y8 F9 T12 L13 L53 P54 M61 F62 I312 | Y8-L57 HydrophobicContact CE1-CD2 4.03Å; F9-L57 HydrophobicContact CD2-CB 3.61Å; F9-L57 HydrophobicContact CD2-CD1 3.88Å; F9-L57 HydrophobicContact CD2-CG 4.39Å; F9-L57 HydrophobicContact CE2-CB 3.68Å; F9-L57 HydrophobicContact CE2-CD1 4.2Å; T12-L57 HydrophobicContact CG2-CD1 4.12Å; L13-L57 HydrophobicContact CD2-CD1 3.98Å; L13-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 HydrophobicContact CD1-CD1 3.96Å; L53-L57 HydrophobicContact CD1-CD2 4.36Å; L53-L57 HydrophobicContact CD1-CG 4Å; L53-L57 HydrophobicContact CG-CD1 3.99Å; L53-L57 HydrophobicContact CG-CG 4.41Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.48Å; L53-L57 PolarHBondContact O-N 3.26Å; P54-L57 PolarHBondContact O-N 2.85Å; L57-M61 HydrophobicContact CB-SD 4.37Å; L57-M61 HydrophobicContact CD2-CG 4.21Å; L57-M61 HydrophobicContact CD2-SD 3.33Å; L57-M61 WeakPolarHBondContact CD2-SD 3.08Å; L57-M61 HydrophobicContact CG-SD 4.41Å; L57-M61 WeakPolarHBondContact O-CA 3.46Å; L57-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 PolarHBondContact O-N 2.93Å; L57-F62 WeakPolarHBondContact O-CD2 3.49Å; L57-F62 PolarHBondContact O-N 3.36Å; L57-I312 HydrophobicContact CD2-CG1 4.42Å |
| 58 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -55.3 | 177.5 | -73.1 | 169 | 0 | 0 | 0 | 110.8 | F9 P54 V55 A56 F62 G63 V64 F93 F239 | F9-L58 HydrophobicContact CE2-CD2 4Å; F9-L58 HydrophobicContact CE2-CG 3.96Å; F9-L58 HydrophobicContact CZ-CD2 3.99Å; F9-L58 HydrophobicContact CZ-CG 4.12Å; P54-L58 WeakPolarHBondContact O-CB 3.39Å; P54-L58 WeakPolarHBondContact O-CG 3.45Å; P54-L58 PolarHBondContact O-N 3.12Å; V55-L58 PolarHBondContact O-N 3.49Å; A56-L58 PolarHBondContact O-N 2.97Å; L58-F62 CarbonylContact O-C 3.34Å; L58-F62 WeakPolarHBondContact O-CB 3.48Å; L58-F62 PolarHBondContact O-N 2.98Å; L58-G63 PolarHBondContact O-N 3.26Å; L58-V64 HydrophobicContact CB-CB 4.31Å; L58-V64 HydrophobicContact CB-CG2 4.07Å; L58-V64 HydrophobicContact CD2-CG2 4.19Å; L58-V64 WeakPolarHBondContact O-CG2 3.37Å; L58-V64 PolarHBondContact O-N 3.02Å; L58-V64 VanDerWaalsContact O-N 3.15Å; L58-F93 HydrophobicContact CD1-CD1 3.8Å; L58-F93 HydrophobicContact CD1-CE1 4.04Å; L58-F93 HydrophobicContact CD2-CE1 3.96Å; L58-F239 HydrophobicContact CD2-CD1 3.46Å; L58-F239 VanDerWaalsContact CD2-CD1 3.46Å; L58-F239 HydrophobicContact CD2-CE1 3.71Å |
| 59 | E | 96.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 25.5 Ų | 25.5 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.9 | -35.3 | -174 | -64.4 | -172.9 | -163 | 0 | 0 | 113.2 | V55 A56 G63 R100 K308 | V55-E59 PolarHBondContact O-N 2.79Å; A56-E59 PolarHBondContact O-N 2.84Å; E59-G63 VanDerWaalsContact O-CA 3.31Å; E59-G63 WeakPolarHBondContact O-CA 3.44Å; E59-G63 PolarHBondContact O-N 3.42Å; E59-R100 IonicContact OE1-CZ 3.17Å; E59-R100 IonicContact OE1-NH1 2.57Å; E59-R100 PolarHBondContact OE1-NH1 3.28Å; E59-R100 IonicContact OE1-NH2 2.77Å; E59-R100 IonicContact OE2-CZ 2.65Å; E59-R100 IonicContact OE2-NH1 3.54Å; E59-R100 PolarHBondContact OE2-NH1 3.1Å; E59-R100 IonicContact OE2-NH2 2.82Å; E59-R100 PolarHBondContact OE2-NH2 3.16Å; E59-K308 HydrophobicContact CB-CD 4.18Å; E59-K308 IonicContact OE2-NZ 2.68Å; E59-K308 PolarHBondContact OE2-NZ 3.33Å |
| 60 | T | 95.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 23.2 Ų | 23.2 | 41% | 0.411 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -92.3 | -37.2 | -175.2 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | A56 K308 I312 | A56-T60 WeakPolarHBondContact O-CB 3.39Å; A56-T60 WeakPolarHBondContact O-CG2 3.34Å; A56-T60 PolarHBondContact O-N 2.63Å; A56-T60 PolarHBondContact O-OG1 3.48Å; T60-K308 HydrophobicContact CG2-CB 4.35Å; T60-K308 HydrophobicContact CG2-CD 4.32Å; T60-I312 HydrophobicContact CG2-CD1 4.1Å; T60-I312 WeakPolarHBondContact OG1-CD1 3.48Å |
| 61 | M | 93.6 | Very high | 95.3 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 26% | 0.261 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -90.1 | -35.7 | -177.5 | -62.1 | -172.9 | 55.9 | 0 | 0 | 113.1 | Y8 L57 | Y8-M61 HydrophobicContact CD1-CE 3.37Å; Y8-M61 HydrophobicContact CD1-SD 3.67Å; Y8-M61 HydrophobicContact CE1-CE 3.66Å; Y8-M61 HydrophobicContact CE1-SD 3.42Å; Y8-M61 WeakPolarHBondContact CE1-SD 3.5Å; Y8-M61 HydrophobicContact CG-CE 4.31Å; L57-M61 HydrophobicContact CB-SD 4.37Å; L57-M61 HydrophobicContact CD2-CG 4.21Å; L57-M61 HydrophobicContact CD2-SD 3.33Å; L57-M61 WeakPolarHBondContact CD2-SD 3.08Å; L57-M61 HydrophobicContact CG-SD 4.41Å; L57-M61 WeakPolarHBondContact O-CA 3.46Å; L57-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 PolarHBondContact O-N 2.93Å |
| 62 | F | 93.6 | Very high | 94.6 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -104.2 | -7.3 | -178.2 | -62 | -81.8 | 0 | 0 | 0 | 112.8 | K5 F9 L57 L58 V64 F239 | K5-F62 HydrophobicContact CB-CE1 3.61Å; K5-F62 HydrophobicContact CB-CZ 3.77Å; K5-F62 HydrophobicContact CD-CE1 4.31Å; K5-F62 WeakPolarHBondContact O-CZ 2.94Å; F9-F62 HydrophobicContact CB-CE2 3.9Å; F9-F62 HydrophobicContact CB-CZ 4Å; F9-F62 HydrophobicContact CD2-CD2 4.33Å; F9-F62 AromaticContact CD2-CE2 3.65Å; F9-F62 HydrophobicContact CD2-CE2 3.65Å; F9-F62 HydrophobicContact CE2-CE2 4.49Å; F9-F62 HydrophobicContact CG-CE2 4.03Å; F9-F62 HydrophobicContact CG-CZ 4.49Å; L57-F62 WeakPolarHBondContact O-CD2 3.49Å; L57-F62 PolarHBondContact O-N 3.36Å; L58-F62 CarbonylContact O-C 3.34Å; L58-F62 WeakPolarHBondContact O-CB 3.48Å; L58-F62 PolarHBondContact O-N 2.98Å; F62-V64 HydrophobicContact CB-CG2 4.03Å; F62-V64 PolarHBondContact O-N 3.39Å; F62-F239 HydrophobicContact CB-CB 4.22Å; F62-F239 HydrophobicContact CB-CG 4.3Å; F62-F239 HydrophobicContact CD1-CB 4.21Å; F62-F239 AromaticContact CD1-CD2 3.29Å; F62-F239 HydrophobicContact CD1-CD2 3.29Å; F62-F239 AromaticContact CD1-CE2 3.72Å; F62-F239 HydrophobicContact CD1-CE2 3.72Å; F62-F239 AromaticContact CD1-CG 3.76Å; F62-F239 HydrophobicContact CD1-CG 3.76Å; F62-F239 HydrophobicContact CD1-CZ 4.45Å; F62-F239 HydrophobicContact CD2-CD1 4.28Å; F62-F239 HydrophobicContact CD2-CD2 4.3Å; F62-F239 HydrophobicContact CD2-CE1 4.22Å; F62-F239 HydrophobicContact CD2-CE2 4.29Å; F62-F239 HydrophobicContact CD2-CG 4.31Å; F62-F239 HydrophobicContact CD2-CZ 4.23Å; F62-F239 AromaticContact CE1-CD2 3.26Å; F62-F239 HydrophobicContact CE1-CD2 3.26Å; F62-F239 AromaticContact CE1-CE2 3.17Å; F62-F239 HydrophobicContact CE1-CE2 3.17Å; F62-F239 HydrophobicContact CE1-CG 4.12Å; F62-F239 AromaticContact CE1-CZ 3.96Å; F62-F239 HydrophobicContact CE1-CZ 3.96Å; F62-F239 HydrophobicContact CE2-CD2 4.29Å; F62-F239 HydrophobicContact CE2-CE1 4.11Å; F62-F239 AromaticContact CE2-CE2 3.84Å; F62-F239 HydrophobicContact CE2-CE2 3.84Å; F62-F239 AromaticContact CE2-CZ 3.73Å; F62-F239 HydrophobicContact CE2-CZ 3.73Å; F62-F239 HydrophobicContact CG-CB 4.27Å; F62-F239 HydrophobicContact CG-CD1 4.24Å; F62-F239 AromaticContact CG-CD2 3.84Å; F62-F239 HydrophobicContact CG-CD2 3.84Å; F62-F239 HydrophobicContact CG-CE2 4.23Å; F62-F239 AromaticContact CG-CG 3.85Å; F62-F239 HydrophobicContact CG-CG 3.85Å; F62-F239 AromaticContact CZ-CD2 3.79Å; F62-F239 HydrophobicContact CZ-CD2 3.79Å; F62-F239 HydrophobicContact CZ-CE1 4.34Å; F62-F239 AromaticContact CZ-CE2 3.24Å; F62-F239 HydrophobicContact CZ-CE2 3.24Å; F62-F239 AromaticContact CZ-CZ 3.56Å; F62-F239 HydrophobicContact CZ-CZ 3.56Å |
| 63 | G | 94.4 | Very high | 94 | Very high | 42 Ų | 42 | 26.3 Ų | 26.3 | 43% | 0.433 | 15% | 0.153 | S | C | . | . | trans | 65.7 | 25.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L58 E59 K65 | L58-G63 PolarHBondContact O-N 3.26Å; E59-G63 VanDerWaalsContact O-CA 3.31Å; E59-G63 WeakPolarHBondContact O-CA 3.44Å; E59-G63 PolarHBondContact O-N 3.42Å; G63-K65 PolarHBondContact O-N 3.08Å | ||
| 64 | V | 95.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | trans | -59.9 | 122.1 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | L58 F62 P240 I243 | L58-V64 HydrophobicContact CB-CB 4.31Å; L58-V64 HydrophobicContact CB-CG2 4.07Å; L58-V64 HydrophobicContact CD2-CG2 4.19Å; L58-V64 WeakPolarHBondContact O-CG2 3.37Å; L58-V64 PolarHBondContact O-N 3.02Å; L58-V64 VanDerWaalsContact O-N 3.15Å; F62-V64 HydrophobicContact CB-CG2 4.03Å; F62-V64 PolarHBondContact O-N 3.39Å; V64-P240 HydrophobicContact CG1-CG 4.37Å; V64-P240 WeakPolarHBondContact CG2-O 3.25Å; V64-I243 HydrophobicContact CG1-CD1 3.7Å; V64-I243 HydrophobicContact CG1-CG1 3.72Å | ||
| 65 | K | 94.7 | Very high | 93 | Very high | 130 Ų | 130 | 32.1 Ų | 32.1 | 57% | 0.565 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 136.2 | 174.4 | -61.1 | -179.6 | -177.4 | 175.1 | 0 | 110.1 | G63 R241 E242 I243 | G63-K65 PolarHBondContact O-N 3.08Å; K65-R241 PolarHBondContact N-O 3.08Å; K65-E242 HydrophobicContact CB-CB 4.43Å; K65-E242 HydrophobicContact CB-CG 4.16Å; K65-E242 CarbonylContact O-C 3.55Å; K65-E242 WeakPolarHBondContact O-CA 3.47Å; K65-I243 PolarHBondContact O-N 3.46Å |
| 66 | V | 93.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.1 | 179.2 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | I68 N96 I243 F245 | V66-I68 HydrophobicContact CG1-CD1 3.86Å; V66-I68 HydrophobicContact CG1-CG1 3.88Å; V66-N96 HydrophobicContact CB-CB 4.43Å; V66-N96 HydrophobicContact CG1-CB 4.35Å; V66-N96 HydrophobicContact CG2-CB 3.47Å; V66-N96 VanDerWaalsContact CG2-CB 3.47Å; V66-I243 WeakPolarHBondContact CA-O 3.45Å; V66-F245 HydrophobicContact CG1-CD2 3.86Å; V66-F245 HydrophobicContact CG1-CE2 3.87Å |
| 67 | I | 93.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 19% | 0.19 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.4 | 180 | -67.4 | 165.9 | 0 | 0 | 0 | 107.6 | T69 I243 H244 F245 | I67-T69 HydrophobicContact CG2-CG2 4.38Å; I67-I243 PolarHBondContact N-O 2.89Å; I67-H244 VanDerWaalsContact CD1-CE1 3.5Å; I67-H244 WeakPolarHBondContact CD1-CE1 3.48Å; I67-H244 WeakPolarHBondContact CD1-NE2 3.46Å; I67-H244 CarbonylContact O-C 3.54Å; I67-H244 WeakPolarHBondContact O-CA 3.4Å; I67-F245 PolarHBondContact O-N 3.13Å |
| 68 | I | 92.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125 | -175.2 | -51.2 | -178.1 | 0 | 0 | 0 | 108.5 | V66 C97 Y101 F245 V247 V294 I295 | V66-I68 HydrophobicContact CG1-CD1 3.86Å; V66-I68 HydrophobicContact CG1-CG1 3.88Å; I68-C97 HydrophobicContact CD1-CB 3.68Å; I68-C97 WeakPolarHBondContact CD1-SG 3.24Å; I68-Y101 HydrophobicContact CB-CE2 4.24Å; I68-Y101 HydrophobicContact CD1-CD2 3.47Å; I68-Y101 VanDerWaalsContact CD1-CD2 3.47Å; I68-Y101 HydrophobicContact CD1-CE2 3.23Å; I68-Y101 HydrophobicContact CG1-CE2 4.13Å; I68-F245 WeakPolarHBondContact CA-O 3.38Å; I68-F245 HydrophobicContact CD1-CD2 4.46Å; I68-F245 HydrophobicContact CG1-CB 4.29Å; I68-F245 HydrophobicContact CG1-CD2 4.22Å; I68-F245 HydrophobicContact CG2-CB 4.35Å; I68-V247 HydrophobicContact CG2-CG2 4Å; I68-V294 WeakPolarHBondContact O-CA 3.3Å; I68-I295 HydrophobicContact CG2-CD1 4.01Å; I68-I295 PolarHBondContact O-N 3.27Å |
| 69 | T | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 162.9 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 109.6 | I67 F245 H246 V247 F287 Y288 V294 | I67-T69 HydrophobicContact CG2-CG2 4.38Å; T69-F245 PolarHBondContact N-O 3.45Å; T69-F245 PolarHBondContact OG1-O 3.35Å; T69-H246 WeakPolarHBondContact O-CA 3.34Å; T69-H246 PolarHBondContact OG1-ND1 3.22Å; T69-V247 PolarHBondContact O-N 3.13Å; T69-F287 HydrophobicContact CG2-CB 4.36Å; T69-F287 WeakPolarHBondContact OG1-CB 3.41Å; T69-Y288 HydrophobicContact CG2-CE1 4.38Å; T69-V294 HydrophobicContact CG2-CG2 4.37Å |
| 70 | G | 93.2 | Very high | 92.2 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.2 | -138.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V247 Q292 S293 I295 | G70-V247 CarbonylContact C-O 3.49Å; G70-V247 VanDerWaalsContact CA-O 3.25Å; G70-V247 WeakPolarHBondContact CA-O 3.31Å; G70-Q292 PolarHBondContact O-OE1 2.89Å; G70-S293 PolarHBondContact N-O 3.19Å; G70-I295 WeakPolarHBondContact O-CD1 3.11Å; G70-I295 WeakPolarHBondContact O-CG1 3.5Å |
| 71 | D | 91.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -88.1 | 145.2 | -178.7 | -59.6 | -37 | 0 | 0 | 0 | 113.1 | V247 H248 R249 I295 | D71-V247 PolarHBondContact N-O 2.83Å; D71-H248 VanDerWaalsContact OD2-CA 3.29Å; D71-H248 WeakPolarHBondContact OD2-CA 3.17Å; D71-H248 IonicContact OD2-CD2 3.24Å; D71-H248 IonicContact OD2-CE1 3.85Å; D71-H248 IonicContact OD2-CG 3.77Å; D71-H248 IonicContact OD2-ND1 2.59Å; D71-H248 PolarHBondContact OD2-ND1 3.2Å; D71-H248 IonicContact OD2-NE2 2.89Å; D71-R249 HydrophobicContact CB-CB 3.94Å; D71-R249 PolarHBondContact OD2-N 3.37Å; D71-I295 WeakPolarHBondContact O-CD1 3.45Å |
| 72 | A | 81.7 | Confident | 92.6 | Very high | 55 Ų | 55 | 31 Ų | 31 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 142.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I295 | A72-I295 HydrophobicContact CB-CG2 3.7Š|
| 73 | F | 85.9 | Confident | 92.8 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 143.7 | 163.4 | -72.9 | -97.4 | 0 | 0 | 0 | 110.1 | P75 C97 L98 Y101 H217 I219 V247 | F73-P75 WeakPolarHBondContact O-CD 3.33Å; F73-C97 VanDerWaalsContact CE2-SG 3.54Å; F73-L98 HydrophobicContact CE1-CD2 4Å; F73-L98 HydrophobicContact CZ-CD2 4.18Å; F73-Y101 WeakPolarHBondContact CB-O 3.47Å; F73-Y101 HydrophobicContact CD2-CG 4.27Å; F73-H217 AromaticContact CD1-CD2 3.65Å; F73-H217 AromaticContact CD1-CE1 3.89Å; F73-H217 AromaticContact CD1-NE2 3.56Å; F73-H217 HydrophobicContact CE1-CB 4.18Å; F73-H217 AromaticContact CE1-CD2 3.75Å; F73-H217 AromaticContact CE1-CG 3.77Å; F73-I219 HydrophobicContact CZ-CD1 3.77Å; F73-V247 HydrophobicContact CD2-CG1 4.49Å; F73-V247 HydrophobicContact CE2-CG1 3.99Å; F73-V247 HydrophobicContact CE2-CG2 3.81Å; F73-V247 HydrophobicContact CZ-CG1 4.2Å; F73-V247 HydrophobicContact CZ-CG2 4.34Å |
| 74 | V | 87.9 | Confident | 93 | Very high | 69 Ų | 69 | 27.2 Ų | 27.2 | 42% | 0.418 | 15% | 0.154 | S | C | . | . | trans | -91.7 | 113.5 | 168.3 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | G76 E77 | V74-G76 PolarHBondContact O-N 3.32Å; V74-E77 HydrophobicContact CB-CB 3.86Å; V74-E77 HydrophobicContact CB-CG 4.44Å; V74-E77 HydrophobicContact CG1-CB 4.18Å; V74-E77 WeakPolarHBondContact O-CB 3.47Å; V74-E77 PolarHBondContact O-N 2.97Å; V74-E77 VanDerWaalsContact O-N 3.09Å | ||
| 75 | P | 85.7 | Confident | 93 | Very high | 53 Ų | 53 | 28 Ų | 28 | 34% | 0.344 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 125.7 | -175.7 | -25.2 | 35.6 | 0 | 0 | 0 | 112.3 | F73 E77 Y103 C298 | F73-P75 WeakPolarHBondContact O-CD 3.33Å; P75-E77 VanDerWaalsContact C-N 3.32Å; P75-Y103 HydrophobicContact CB-CE2 3.86Å; P75-C298 HydrophobicContact CG-CB 3.74Å |
| 76 | G | 87 | Confident | 93.1 | Very high | 26 Ų | 26 | 24.2 Ų | 24.2 | 27% | 0.268 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V74 | V74-G76 PolarHBondContact O-N 3.32Š|
| 77 | E | 92.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | trans | -66.1 | 142.2 | 176.1 | -176.1 | 168.1 | -111.8 | 0 | 0 | 112.6 | V74 P75 Q159 D214 H217 R249 | V74-E77 HydrophobicContact CB-CB 3.86Å; V74-E77 HydrophobicContact CB-CG 4.44Å; V74-E77 HydrophobicContact CG1-CB 4.18Å; V74-E77 WeakPolarHBondContact O-CB 3.47Å; V74-E77 PolarHBondContact O-N 2.97Å; V74-E77 VanDerWaalsContact O-N 3.09Å; P75-E77 VanDerWaalsContact C-N 3.32Å; E77-Q159 WeakPolarHBondContact O-CG 3.44Å; E77-Q159 PolarHBondContact O-NE2 3.26Å; E77-D214 HydrophobicContact CG-CB 3.55Å; E77-H217 IonicContact OE2-CE1 2.67Å; E77-H217 PolarHBondContact OE2-CE1 2.83Å; E77-H217 IonicContact OE2-NE2 3.91Å; E77-H217 PolarHBondContact OE2-NE2 3.32Å; E77-R249 IonicContact OE1-CZ 2.77Å; E77-R249 VanDerWaalsContact OE1-CZ 3.27Å; E77-R249 IonicContact OE1-NE 3.58Å; E77-R249 PolarHBondContact OE1-NE 3.46Å; E77-R249 VanDerWaalsContact OE1-NE 3.14Å; E77-R249 IonicContact OE1-NH2 2.67Å; E77-R249 PolarHBondContact OE1-NH2 3.47Å; E77-R249 IonicContact OE2-CZ 2.82Å; E77-R249 IonicContact OE2-NE 3.64Å; E77-R249 PolarHBondContact OE2-NE 3.29Å; E77-R249 IonicContact OE2-NH2 3.81Å | ||
| 78 | R | 95.6 | Very high | 93.2 | Very high | 77 Ų | 77 | 25.5 Ų | 25.5 | 29% | 0.291 | 14% | 0.139 | S | C | . | . | trans | -83.8 | 115.6 | 175.1 | -56 | 169.4 | -74 | 175.7 | 12.4 | 108.5 | P157 L158 K211 N212 D214 A215 | R78-P157 HydrophobicContact CG-CB 3.98Å; R78-L158 CarbonylContact C-O 3.49Å; R78-L158 WeakPolarHBondContact CA-O 2.98Å; R78-K211 PolarHBondContact NH1-O 3.4Å; R78-K211 PolarHBondContact NH2-O 3.27Å; R78-N212 WeakPolarHBondContact CD-OD1 3.22Å; R78-D214 VanDerWaalsContact CB-OD2 3.26Å; R78-D214 WeakPolarHBondContact CB-OD2 3.2Å; R78-D214 WeakPolarHBondContact CG-OD2 2.99Å; R78-D214 IonicContact CZ-OD1 3.35Å; R78-D214 IonicContact CZ-OD2 3.59Å; R78-D214 PolarHBondContact N-OD2 2.99Å; R78-D214 IonicContact NE-OD1 3.9Å; R78-D214 PolarHBondContact NE-OD1 3.25Å; R78-D214 IonicContact NE-OD2 3.35Å; R78-D214 PolarHBondContact NE-OD2 2.86Å; R78-D214 IonicContact NH2-OD1 3.77Å; R78-D214 PolarHBondContact NH2-OD1 2.82Å; R78-D214 IonicContact NH2-OD2 2.72Å; R78-D214 WeakPolarHBondContact O-CB 3.25Å; R78-D214 PolarHBondContact O-N 2.96Å; R78-A215 PolarHBondContact O-N 3.43Å | ||
| 79 | S | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147 | -172.8 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | L158 Q159 L160 A215 H217 | S79-L158 PolarHBondContact N-O 3.47Å; S79-Q159 CarbonylContact O-C 3.55Å; S79-Q159 VanDerWaalsContact O-CA 3.3Å; S79-Q159 WeakPolarHBondContact O-CA 3.3Å; S79-L160 PolarHBondContact O-N 3.36Å; S79-A215 WeakPolarHBondContact CA-O 3.21Å; S79-A215 WeakPolarHBondContact CB-O 3.33Å; S79-H217 WeakPolarHBondContact CB-ND1 3.49Å; S79-H217 PolarHBondContact OG-ND1 3.21Å |
| 80 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.8 | 160.3 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | I82 I162 V203 V204 L207 L213 A215 I216 H217 | V80-I82 HydrophobicContact CG1-CG2 4.09Å; V80-I162 HydrophobicContact CG1-CD1 4.12Å; V80-V203 HydrophobicContact CG2-CG1 3.62Å; V80-V204 HydrophobicContact CG2-CG2 4.28Å; V80-L207 HydrophobicContact CG2-CD1 3.64Å; V80-L213 HydrophobicContact CB-CD1 4.47Å; V80-L213 HydrophobicContact CG2-CD1 3.91Å; V80-A215 PolarHBondContact N-O 3.01Å; V80-I216 HydrophobicContact CB-CG1 4.31Å; V80-I216 CarbonylContact O-C 3.13Å; V80-I216 VanDerWaalsContact O-CA 3.31Å; V80-I216 WeakPolarHBondContact O-CA 3.4Å; V80-H217 PolarHBondContact O-N 2.91Å |
| 81 | I | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.2 | 174.5 | -57.7 | 171.6 | 0 | 0 | 0 | 107.5 | L94 L98 E107 Q159 L160 L161 I162 H217 I219 | I81-L94 HydrophobicContact CG2-CD2 4.24Å; I81-L98 HydrophobicContact CD1-CD2 4.2Å; I81-E107 WeakPolarHBondContact CD1-OE2 3.27Å; I81-Q159 HydrophobicContact CD1-CB 4.19Å; I81-L160 PolarHBondContact N-O 3Å; I81-L161 HydrophobicContact CB-CD1 4.21Å; I81-L161 HydrophobicContact CG2-CD1 3.82Å; I81-L161 WeakPolarHBondContact O-CA 3.29Å; I81-I162 PolarHBondContact O-N 3.05Å; I81-H217 WeakPolarHBondContact CA-O 3.16Å; I81-H217 HydrophobicContact CG1-CB 4.18Å; I81-I219 HydrophobicContact CG2-CD1 3.47Å; I81-I219 VanDerWaalsContact CG2-CD1 3.47Å; I81-I219 HydrophobicContact CG2-CG1 4.07Å |
| 82 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.8 | 173.2 | 59.6 | 178.6 | 0 | 0 | 0 | 109.5 | V80 I162 P164 F200 I216 H217 D218 I219 W265 W270 K273 | V80-I82 HydrophobicContact CG1-CG2 4.09Å; I82-I162 WeakPolarHBondContact CA-O 3.25Å; I82-P164 HydrophobicContact CB-CG 4.4Å; I82-P164 HydrophobicContact CG2-CG 4.15Å; I82-F200 HydrophobicContact CD1-CE2 4.43Å; I82-F200 HydrophobicContact CG2-CD2 3.71Å; I82-F200 HydrophobicContact CG2-CE2 3.7Å; I82-I216 HydrophobicContact CD1-CG2 3.82Å; I82-I216 HydrophobicContact CG1-CG2 3.91Å; I82-H217 PolarHBondContact N-O 2.84Å; I82-D218 HydrophobicContact CD1-CB 4.13Å; I82-D218 HydrophobicContact CG1-CB 4.03Å; I82-D218 WeakPolarHBondContact CG1-OD1 3.47Å; I82-I219 PolarHBondContact O-N 3.48Å; I82-W265 HydrophobicContact CD1-CH2 3.84Å; I82-W265 HydrophobicContact CD1-CZ3 3.71Å; I82-W270 HydrophobicContact CB-CH2 4.2Å; I82-W270 HydrophobicContact CB-CZ3 4.46Å; I82-W270 HydrophobicContact CD1-CZ3 4.16Å; I82-K273 PolarHBondContact O-NZ 3.49Å |
| 83 | M | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.5 | -177.4 | -164.2 | 166.2 | 64.1 | 0 | 0 | 110.9 | D90 L94 L161 I162 F163 I219 V221 F245 | M83-D90 HydrophobicContact CE-CB 3.78Å; M83-L94 HydrophobicContact CE-CB 4.13Å; M83-L94 HydrophobicContact CE-CD2 4.32Å; M83-L94 HydrophobicContact SD-CD1 4.05Å; M83-L161 HydrophobicContact CB-CD1 4.06Å; M83-L161 HydrophobicContact CE-CD1 4.46Å; M83-I162 PolarHBondContact N-O 3.27Å; M83-F163 HydrophobicContact CB-CD1 4.26Å; M83-F163 HydrophobicContact CB-CE1 3.92Å; M83-F163 HydrophobicContact CE-CE1 3.46Å; M83-F163 VanDerWaalsContact CE-CE1 3.46Å; M83-F163 HydrophobicContact CE-CZ 3.56Å; M83-F163 HydrophobicContact CG-CE1 4.35Å; M83-F163 VanDerWaalsContact O-CD1 3.31Å; M83-F163 WeakPolarHBondContact O-CD1 3.27Å; M83-I219 WeakPolarHBondContact CA-O 3.43Å; M83-I219 HydrophobicContact CB-CB 4.3Å; M83-I219 HydrophobicContact CG-CB 3.99Å; M83-I219 HydrophobicContact CG-CG2 4.02Å; M83-I219 HydrophobicContact SD-CB 4.24Å; M83-I219 HydrophobicContact SD-CG2 3.82Å; M83-V221 HydrophobicContact CE-CG1 4.5Å; M83-V221 HydrophobicContact CG-CB 4.3Å; M83-V221 HydrophobicContact CG-CG1 3.97Å; M83-V221 HydrophobicContact SD-CB 3.99Å; M83-V221 HydrophobicContact SD-CG1 4.02Å; M83-F245 HydrophobicContact SD-CD1 4.35Å; M83-F245 HydrophobicContact SD-CE1 4Å |
| 84 | N | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.011 | 11% | 0.11 | C | C | . | . | trans | -67.2 | 149.4 | 167.3 | 62.1 | -61.6 | 0 | 0 | 0 | 109.7 | E165 V192 T220 V221 K273 | N84-E165 WeakPolarHBondContact CA-OE1 3.09Å; N84-E165 VanDerWaalsContact CB-OE1 3.27Å; N84-E165 WeakPolarHBondContact CB-OE1 3.08Å; N84-V192 HydrophobicContact CB-CG1 3.95Å; N84-T220 VanDerWaalsContact OD1-CA 3.29Å; N84-T220 WeakPolarHBondContact OD1-CA 3.45Å; N84-V221 PolarHBondContact ND2-O 3.49Å; N84-V221 PolarHBondContact OD1-N 3.01Å; N84-K273 HydrophobicContact CB-CD 4.12Å | ||
| 85 | H | 97.1 | Very high | 95.4 | Very high | 23 Ų | 23 | 19.2 Ų | 19.2 | 11% | 0.106 | 9% | 0.09 | C | C | . | . | trans | -110.2 | 76.8 | -174.5 | -158.2 | 12.7 | 0 | 0 | 0 | 111.4 | T87 D90 F163 E165 D168 L169 | H85-T87 PolarHBondContact CE1-O 2.77Å; H85-T87 PolarHBondContact ND1-O 3.11Å; H85-D90 VanDerWaalsContact CA-OD2 3.3Å; H85-D90 WeakPolarHBondContact CA-OD2 3.41Å; H85-D90 IonicContact CE1-OD2 3.46Å; H85-D90 IonicContact CG-OD2 3.35Å; H85-D90 IonicContact ND1-OD2 3.09Å; H85-D90 PolarHBondContact ND1-OD2 3.24Å; H85-F163 HydrophobicContact CB-CB 4.17Å; H85-F163 HydrophobicContact CB-CD1 3.51Å; H85-F163 HydrophobicContact CB-CE1 4.13Å; H85-F163 HydrophobicContact CB-CG 4.05Å; H85-F163 AromaticContact CG-CD1 3.64Å; H85-F163 AromaticContact CG-CE1 3.99Å; H85-F163 AromaticContact CG-CG 3.93Å; H85-F163 AromaticContact ND1-CD1 3.9Å; H85-F163 AromaticContact ND1-CE1 3.75Å; H85-E165 HydrophobicContact CB-CB 4.44Å; H85-E165 PolarHBondContact N-OE1 3.32Å; H85-D168 PolarHBondContact CD2-N 3.08Å; H85-D168 VanDerWaalsContact CD2-N 3.3Å; H85-D168 CarbonylContact O-C 3.59Å; H85-D168 VanDerWaalsContact O-CA 3.25Å; H85-D168 WeakPolarHBondContact O-CA 3.37Å; H85-L169 PolarHBondContact O-N 2.95Å | ||
| 86 | R | 96.7 | Very high | 95.9 | Very high | 50 Ų | 50 | 16.7 Ų | 16.7 | 19% | 0.189 | 7% | 0.074 | C | C | . | . | trans | -72.1 | -38.8 | -179.5 | -179.3 | 62.4 | -165.7 | 95.6 | -7.9 | 113 | D90 L169 Y223 I227 | R86-D90 PolarHBondContact N-OD2 3.45Å; R86-L169 PolarHBondContact NH1-O 2.65Å; R86-L169 VanDerWaalsContact NH1-O 3.09Å; R86-Y223 HydrophobicContact CB-CD2 4.45Å; R86-Y223 HydrophobicContact CB-CE2 4Å; R86-Y223 HydrophobicContact CG-CD2 4Å; R86-Y223 HydrophobicContact CG-CE2 4.01Å; R86-I227 HydrophobicContact CG-CG2 4.09Å | ||
| 87 | T | 95.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -136.8 | 156.7 | -177.2 | 79 | 0 | 0 | 0 | 0 | 111.8 | H85 M89 D90 Y223 I227 P228 | H85-T87 PolarHBondContact CE1-O 2.77Å; H85-T87 PolarHBondContact ND1-O 3.11Å; T87-M89 PolarHBondContact O-N 3.46Å; T87-M89 PolarHBondContact OG1-N 3.25Å; T87-D90 WeakPolarHBondContact CB-OD1 3.43Å; T87-D90 VanDerWaalsContact N-CG 3.31Å; T87-D90 PolarHBondContact N-OD1 3.47Å; T87-D90 VanDerWaalsContact N-OD1 3.14Å; T87-D90 PolarHBondContact N-OD2 3.46Å; T87-D90 PolarHBondContact O-N 3.1Å; T87-D90 PolarHBondContact OG1-N 3.34Å; T87-D90 PolarHBondContact OG1-OD1 3.33Å; T87-Y223 HydrophobicContact CG2-CD2 4.43Å; T87-Y223 HydrophobicContact CG2-CE2 3.94Å; T87-I227 HydrophobicContact CG2-CG2 3.49Å; T87-I227 VanDerWaalsContact CG2-CG2 3.49Å; T87-P228 WeakPolarHBondContact CB-O 3.26Å |
| 88 | R | 93.9 | Very high | 96.4 | Very high | 99 Ų | 99 | 14.8 Ų | 14.8 | 37% | 0.374 | 6% | 0.058 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.9 | 174.3 | -65.4 | -167.1 | -66.1 | 165.9 | -3.8 | 114.3 | W91 D168 Q229 S230 E231 | R88-W91 PolarHBondContact O-NE1 3.26Å; R88-D168 HydrophobicContact CG-CB 4.28Å; R88-D168 VanDerWaalsContact CG-OD2 3.25Å; R88-D168 WeakPolarHBondContact CG-OD2 3.34Å; R88-Q229 PolarHBondContact NE-O 2.93Å; R88-S230 PolarHBondContact NH2-OG 3.29Å; R88-E231 IonicContact CZ-OE2 3.48Å; R88-E231 IonicContact NE-OE2 2.63Å; R88-E231 IonicContact NH1-OE2 3.49Å; R88-E231 PolarHBondContact NH1-OE2 3.24Å; R88-E231 IonicContact NH2-OE2 2.73Å; R88-E231 PolarHBondContact NH2-OE2 3.4Å |
| 89 | M | 94.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 3% | 0.03 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 0.4 | -174.1 | -56.9 | -67.1 | 92.3 | 0 | 0 | 113.3 | T87 W91 M92 F93 E231 L234 | T87-M89 PolarHBondContact O-N 3.46Å; T87-M89 PolarHBondContact OG1-N 3.25Å; M89-W91 HydrophobicContact CE-CZ2 4.27Å; M89-W91 PolarHBondContact O-N 2.99Å; M89-W91 VanDerWaalsContact O-N 3.16Å; M89-M92 WeakPolarHBondContact O-CB 3.45Å; M89-M92 PolarHBondContact O-N 3Å; M89-M92 HydrophobicContact SD-CE 4.47Å; M89-F93 HydrophobicContact CB-CD2 4.05Å; M89-F93 HydrophobicContact CB-CE1 4.43Å; M89-F93 HydrophobicContact CB-CE2 3.5Å; M89-F93 VanDerWaalsContact CB-CE2 3.5Å; M89-F93 HydrophobicContact CB-CZ 3.7Å; M89-F93 WeakPolarHBondContact O-CD2 3.43Å; M89-F93 PolarHBondContact O-N 3.3Å; M89-F93 VanDerWaalsContact O-N 3.13Å; M89-E231 HydrophobicContact CE-CG 3.8Å; M89-E231 WeakPolarHBondContact CE-OE1 3.42Å; M89-E231 HydrophobicContact SD-CG 4.01Å; M89-L234 HydrophobicContact CG-CD1 3.99Å; M89-L234 HydrophobicContact CG-CG 4.46Å; M89-L234 HydrophobicContact SD-CD1 3.58Å; M89-L234 VanDerWaalsContact SD-CD1 3.58Å; M89-L234 HydrophobicContact SD-CG 4.47Å |
| 90 | D | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -57.4 | -35.3 | -173.7 | -60.6 | -25.8 | 0 | 0 | 0 | 113.3 | M83 H85 R86 T87 M92 F93 L94 F163 Y223 | M83-D90 HydrophobicContact CE-CB 3.78Å; H85-D90 VanDerWaalsContact CA-OD2 3.3Å; H85-D90 WeakPolarHBondContact CA-OD2 3.41Å; H85-D90 IonicContact CE1-OD2 3.46Å; H85-D90 IonicContact CG-OD2 3.35Å; H85-D90 IonicContact ND1-OD2 3.09Å; H85-D90 PolarHBondContact ND1-OD2 3.24Å; R86-D90 PolarHBondContact N-OD2 3.45Å; T87-D90 WeakPolarHBondContact CB-OD1 3.43Å; T87-D90 VanDerWaalsContact N-CG 3.31Å; T87-D90 PolarHBondContact N-OD1 3.47Å; T87-D90 VanDerWaalsContact N-OD1 3.14Å; T87-D90 PolarHBondContact N-OD2 3.46Å; T87-D90 PolarHBondContact O-N 3.1Å; T87-D90 PolarHBondContact OG1-N 3.34Å; T87-D90 PolarHBondContact OG1-OD1 3.33Å; D90-M92 VanDerWaalsContact C-N 3.31Å; D90-M92 PolarHBondContact O-N 2.82Å; D90-F93 PolarHBondContact O-N 2.94Å; D90-L94 PolarHBondContact O-N 2.86Å; D90-F163 HydrophobicContact CB-CE1 4.13Å; D90-F163 HydrophobicContact CB-CZ 4.11Å; D90-Y223 PolarHBondContact OD1-OH 3.25Å |
| 91 | W | 94.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 13.4 Ų | 13.4 | 18% | 0.182 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 175.8 | 54.9 | -93.4 | 0 | 0 | 0 | 112.5 | R88 M89 F93 W95 I109 L161 F163 | R88-W91 PolarHBondContact O-NE1 3.26Å; M89-W91 HydrophobicContact CE-CZ2 4.27Å; M89-W91 PolarHBondContact O-N 2.99Å; M89-W91 VanDerWaalsContact O-N 3.16Å; W91-F93 VanDerWaalsContact C-N 3.34Å; W91-W95 AromaticContact CE3-CH2 3.48Å; W91-W95 HydrophobicContact CE3-CH2 3.48Å; W91-W95 VanDerWaalsContact CE3-CH2 3.48Å; W91-W95 AromaticContact CE3-CZ2 3.55Å; W91-W95 HydrophobicContact CE3-CZ2 3.55Å; W91-W95 HydrophobicContact CE3-CZ3 4.04Å; W91-W95 HydrophobicContact CH2-CH2 4.45Å; W91-W95 AromaticContact CZ3-CH2 3.2Å; W91-W95 HydrophobicContact CZ3-CH2 3.2Å; W91-W95 AromaticContact CZ3-CZ2 3.81Å; W91-W95 HydrophobicContact CZ3-CZ2 3.81Å; W91-W95 AromaticContact CZ3-CZ3 3.6Å; W91-W95 HydrophobicContact CZ3-CZ3 3.6Å; W91-W95 PolarHBondContact O-NE1 2.94Å; W91-I109 HydrophobicContact CB-CD1 3.93Å; W91-L161 HydrophobicContact CB-CD2 4.09Å; W91-F163 HydrophobicContact CB-CE2 4.34Å; W91-F163 HydrophobicContact CB-CZ 4.43Å |
| 92 | M | 95.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 2% | 0.02 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -71.2 | -37.8 | 178.3 | -172.8 | 176.3 | 58.6 | 0 | 0 | 110.1 | F9 L13 P54 M89 D90 L94 W95 L234 | F9-M92 HydrophobicContact CE1-CE 4.05Å; F9-M92 HydrophobicContact CE1-SD 4.33Å; F9-M92 HydrophobicContact CZ-CE 3.86Å; F9-M92 HydrophobicContact CZ-SD 4Å; L13-M92 HydrophobicContact CD1-SD 4.02Å; P54-M92 HydrophobicContact CB-CG 3.85Å; P54-M92 HydrophobicContact CB-SD 3.75Å; P54-M92 HydrophobicContact CG-CG 4.39Å; M89-M92 WeakPolarHBondContact O-CB 3.45Å; M89-M92 PolarHBondContact O-N 3Å; M89-M92 HydrophobicContact SD-CE 4.47Å; D90-M92 VanDerWaalsContact C-N 3.31Å; D90-M92 PolarHBondContact O-N 2.82Å; M92-L94 VanDerWaalsContact C-N 3.33Å; M92-W95 HydrophobicContact CB-CE3 4.24Å; M92-W95 HydrophobicContact CB-CZ3 4.29Å; M92-W95 HydrophobicContact CG-CE3 3.76Å; M92-W95 HydrophobicContact CG-CZ3 3.83Å; M92-W95 WeakPolarHBondContact O-CB 3.49Å; M92-W95 PolarHBondContact O-N 2.75Å; M92-L234 HydrophobicContact CE-CD1 4.01Å |
| 93 | F | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.9 | -34.3 | 179.3 | -64.6 | -31.9 | 0 | 0 | 0 | 112.6 | L58 M89 D90 W91 W95 N96 Y223 P228 P240 I243 F245 | L58-F93 HydrophobicContact CD1-CD1 3.8Å; L58-F93 HydrophobicContact CD1-CE1 4.04Å; L58-F93 HydrophobicContact CD2-CE1 3.96Å; M89-F93 HydrophobicContact CB-CD2 4.05Å; M89-F93 HydrophobicContact CB-CE1 4.43Å; M89-F93 HydrophobicContact CB-CE2 3.5Å; M89-F93 VanDerWaalsContact CB-CE2 3.5Å; M89-F93 HydrophobicContact CB-CZ 3.7Å; M89-F93 WeakPolarHBondContact O-CD2 3.43Å; M89-F93 PolarHBondContact O-N 3.3Å; M89-F93 VanDerWaalsContact O-N 3.13Å; D90-F93 PolarHBondContact O-N 2.94Å; W91-F93 VanDerWaalsContact C-N 3.34Å; F93-W95 PolarHBondContact O-N 3.15Å; F93-N96 WeakPolarHBondContact CA-ND2 3.43Å; F93-N96 WeakPolarHBondContact O-CB 2.73Å; F93-N96 PolarHBondContact O-N 2.81Å; F93-N96 VanDerWaalsContact O-N 3.07Å; F93-N96 PolarHBondContact O-ND2 3.01Å; F93-Y223 AromaticContact CD2-CE1 3.84Å; F93-Y223 HydrophobicContact CD2-CE1 3.84Å; F93-Y223 AromaticContact CD2-CZ 3.86Å; F93-Y223 VanDerWaalsContact CD2-OH 3.24Å; F93-Y223 WeakPolarHBondContact CD2-OH 3.41Å; F93-Y223 HydrophobicContact CE2-CE1 4.19Å; F93-P228 HydrophobicContact CE2-CG 3.66Å; F93-P228 HydrophobicContact CZ-CG 3.65Å; F93-P240 HydrophobicContact CE1-CG 4.1Å; F93-P240 HydrophobicContact CE2-CG 4.27Å; F93-P240 HydrophobicContact CZ-CG 3.9Å; F93-I243 HydrophobicContact CB-CD1 3.74Å; F93-I243 HydrophobicContact CD1-CD1 3.72Å; F93-I243 HydrophobicContact CD2-CD1 4.29Å; F93-I243 HydrophobicContact CE1-CD1 4.41Å; F93-I243 HydrophobicContact CG-CD1 3.65Å; F93-F245 HydrophobicContact CB-CZ 4.48Å |
| 94 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.4 | -29.8 | 173.9 | -176.2 | 62.1 | 0 | 0 | 0 | 112.4 | I81 M83 D90 M92 N96 C97 L98 L161 I219 F245 | I81-L94 HydrophobicContact CG2-CD2 4.24Å; M83-L94 HydrophobicContact CE-CB 4.13Å; M83-L94 HydrophobicContact CE-CD2 4.32Å; M83-L94 HydrophobicContact SD-CD1 4.05Å; D90-L94 PolarHBondContact O-N 2.86Å; M92-L94 VanDerWaalsContact C-N 3.33Å; L94-N96 PolarHBondContact O-N 2.71Å; L94-C97 HydrophobicContact CD1-CB 4.22Å; L94-C97 WeakPolarHBondContact O-CA 3.4Å; L94-C97 VanDerWaalsContact O-CB 3.23Å; L94-C97 WeakPolarHBondContact O-CB 3.48Å; L94-C97 PolarHBondContact O-N 3.19Å; L94-L98 HydrophobicContact CD2-CD1 4.32Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 HydrophobicContact CG-CG 4.14Å; L94-L98 PolarHBondContact O-N 2.81Å; L94-L161 HydrophobicContact CD2-CD1 3.82Å; L94-L161 HydrophobicContact CD2-CD2 3.77Å; L94-L161 HydrophobicContact CD2-CG 4.27Å; L94-I219 HydrophobicContact CD1-CD1 3.69Å; L94-F245 HydrophobicContact CD1-CE1 4.17Å |
| 95 | W | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.2 | -26.4 | 177.8 | -58.8 | -24.1 | 0 | 0 | 0 | 113.5 | W50 L51 P54 V55 W91 M92 F93 C97 L98 M99 L104 I109 | W50-W95 HydrophobicContact CH2-CZ3 4.41Å; W50-W95 AromaticContact CZ3-CH2 3.92Å; W50-W95 HydrophobicContact CZ3-CH2 3.92Å; W50-W95 AromaticContact CZ3-CZ3 3.9Å; W50-W95 HydrophobicContact CZ3-CZ3 3.9Å; L51-W95 HydrophobicContact CD2-CD2 4.05Å; L51-W95 HydrophobicContact CD2-CE3 4.01Å; L51-W95 HydrophobicContact CD2-CH2 3.27Å; L51-W95 HydrophobicContact CD2-CZ2 3.39Å; L51-W95 HydrophobicContact CD2-CZ3 3.64Å; P54-W95 HydrophobicContact CB-CE3 4.42Å; P54-W95 HydrophobicContact CG-CE3 3.58Å; P54-W95 HydrophobicContact CG-CZ3 3.67Å; V55-W95 VanDerWaalsContact CG2-C 3.47Å; V55-W95 HydrophobicContact CG2-CB 3.61Å; W91-W95 AromaticContact CE3-CH2 3.48Å; W91-W95 HydrophobicContact CE3-CH2 3.48Å; W91-W95 VanDerWaalsContact CE3-CH2 3.48Å; W91-W95 AromaticContact CE3-CZ2 3.55Å; W91-W95 HydrophobicContact CE3-CZ2 3.55Å; W91-W95 HydrophobicContact CE3-CZ3 4.04Å; W91-W95 HydrophobicContact CH2-CH2 4.45Å; W91-W95 AromaticContact CZ3-CH2 3.2Å; W91-W95 HydrophobicContact CZ3-CH2 3.2Å; W91-W95 AromaticContact CZ3-CZ2 3.81Å; W91-W95 HydrophobicContact CZ3-CZ2 3.81Å; W91-W95 AromaticContact CZ3-CZ3 3.6Å; W91-W95 HydrophobicContact CZ3-CZ3 3.6Å; W91-W95 PolarHBondContact O-NE1 2.94Å; M92-W95 HydrophobicContact CB-CE3 4.24Å; M92-W95 HydrophobicContact CB-CZ3 4.29Å; M92-W95 HydrophobicContact CG-CE3 3.76Å; M92-W95 HydrophobicContact CG-CZ3 3.83Å; M92-W95 WeakPolarHBondContact O-CB 3.49Å; M92-W95 PolarHBondContact O-N 2.75Å; F93-W95 PolarHBondContact O-N 3.15Å; W95-C97 VanDerWaalsContact C-N 3.27Å; W95-C97 PolarHBondContact O-N 3.09Å; W95-L98 PolarHBondContact O-N 3.39Å; W95-M99 WeakPolarHBondContact O-CB 3.31Å; W95-M99 PolarHBondContact O-N 2.59Å; W95-L104 HydrophobicContact CB-CD2 3.73Å; W95-L104 HydrophobicContact CG-CD2 4Å; W95-I109 HydrophobicContact CZ2-CD1 4.13Å |
| 96 | N | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65 | -35 | 173.3 | -58.4 | -86.7 | 0 | 0 | 0 | 111.3 | V55 V66 F93 L94 | V55-N96 HydrophobicContact CG1-CB 4.4Å; V55-N96 WeakPolarHBondContact CG1-OD1 3.43Å; V66-N96 HydrophobicContact CB-CB 4.43Å; V66-N96 HydrophobicContact CG1-CB 4.35Å; V66-N96 HydrophobicContact CG2-CB 3.47Å; V66-N96 VanDerWaalsContact CG2-CB 3.47Å; F93-N96 WeakPolarHBondContact CA-ND2 3.43Å; F93-N96 WeakPolarHBondContact O-CB 2.73Å; F93-N96 PolarHBondContact O-N 2.81Å; F93-N96 VanDerWaalsContact O-N 3.07Å; F93-N96 PolarHBondContact O-ND2 3.01Å; L94-N96 PolarHBondContact O-N 2.71Å |
| 97 | C | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69.8 | -55.8 | 171.9 | 177 | 0 | 0 | 0 | 0 | 110.7 | I68 F73 L94 W95 M99 R100 Y101 F245 | I68-C97 HydrophobicContact CD1-CB 3.68Å; I68-C97 WeakPolarHBondContact CD1-SG 3.24Å; F73-C97 VanDerWaalsContact CE2-SG 3.54Å; L94-C97 HydrophobicContact CD1-CB 4.22Å; L94-C97 WeakPolarHBondContact O-CA 3.4Å; L94-C97 VanDerWaalsContact O-CB 3.23Å; L94-C97 WeakPolarHBondContact O-CB 3.48Å; L94-C97 PolarHBondContact O-N 3.19Å; W95-C97 VanDerWaalsContact C-N 3.27Å; W95-C97 PolarHBondContact O-N 3.09Å; C97-M99 VanDerWaalsContact C-N 3.28Å; C97-M99 PolarHBondContact O-N 2.93Å; C97-R100 PolarHBondContact O-N 3.11Å; C97-Y101 WeakPolarHBondContact O-CD2 3.39Å; C97-Y101 PolarHBondContact O-N 2.99Å; C97-F245 HydrophobicContact CB-CD2 3.98Å; C97-F245 HydrophobicContact CB-CE2 4.01Å; C97-F245 HydrophobicContact CB-CG 4.44Å; C97-F245 HydrophobicContact CB-CZ 4.5Å |
| 98 | L | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63 | -31.7 | -175 | -61.4 | 179.4 | 0 | 0 | 0 | 113.2 | F73 I81 L94 W95 R100 Y101 S102 L104 E107 | F73-L98 HydrophobicContact CE1-CD2 4Å; F73-L98 HydrophobicContact CZ-CD2 4.18Å; I81-L98 HydrophobicContact CD1-CD2 4.2Å; L94-L98 HydrophobicContact CD2-CD1 4.32Å; L94-L98 HydrophobicContact CG-CD1 4.14Å; L94-L98 HydrophobicContact CG-CG 4.14Å; L94-L98 PolarHBondContact O-N 2.81Å; W95-L98 PolarHBondContact O-N 3.39Å; L98-R100 PolarHBondContact O-N 2.98Å; L98-Y101 PolarHBondContact O-N 2.87Å; L98-S102 CarbonylContact O-C 3.45Å; L98-S102 WeakPolarHBondContact O-CA 3.2Å; L98-S102 PolarHBondContact O-N 3.46Å; L98-L104 HydrophobicContact CB-CD2 3.82Å; L98-E107 HydrophobicContact CD1-CB 4.12Å; L98-E107 VanDerWaalsContact CD1-CD 3.42Å; L98-E107 HydrophobicContact CD1-CG 3.83Å; L98-E107 VanDerWaalsContact CD1-OE2 3.23Å; L98-E107 WeakPolarHBondContact CD1-OE2 3.28Å |
| 99 | M | 94.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 13.3 Ų | 13.3 | 6% | 0.059 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.8 | -37.8 | 174.6 | -177 | 178 | -73.7 | 0 | 0 | 111.9 | T52 V55 W95 C97 L104 K299 V304 V307 K308 | T52-M99 VanDerWaalsContact CA-CE 3.49Å; T52-M99 HydrophobicContact CG2-CE 3.67Å; V55-M99 HydrophobicContact CB-CE 3.52Å; V55-M99 HydrophobicContact CB-SD 4.24Å; V55-M99 HydrophobicContact CG1-CB 4.33Å; V55-M99 HydrophobicContact CG1-CE 3.48Å; V55-M99 VanDerWaalsContact CG1-CE 3.48Å; V55-M99 HydrophobicContact CG1-SD 3.5Å; V55-M99 WeakPolarHBondContact CG1-SD 3.35Å; V55-M99 HydrophobicContact CG2-CE 3.99Å; W95-M99 WeakPolarHBondContact O-CB 3.31Å; W95-M99 PolarHBondContact O-N 2.59Å; C97-M99 VanDerWaalsContact C-N 3.28Å; C97-M99 PolarHBondContact O-N 2.93Å; M99-L104 HydrophobicContact CB-CD1 4.18Å; M99-L104 HydrophobicContact CE-CD1 3.99Å; M99-K299 VanDerWaalsContact O-CD 3.31Å; M99-K299 WeakPolarHBondContact O-CD 3.46Å; M99-K299 VanDerWaalsContact O-CE 3.26Å; M99-K299 WeakPolarHBondContact O-CE 3.41Å; M99-K299 PolarHBondContact O-NZ 3.37Å; M99-V304 HydrophobicContact CG-CG1 4.31Å; M99-V304 HydrophobicContact SD-CG1 3.9Å; M99-V307 HydrophobicContact CE-CG1 4.46Å; M99-K308 HydrophobicContact SD-CG 4.12Å |
| 100 | R | 92.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 14 Ų | 14 | 8% | 0.083 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -86.4 | -41.4 | -180 | -82.7 | 172.7 | -178.9 | 73.4 | -4.9 | 113.1 | E59 C97 L98 P297 C298 K299 E301 V304 | E59-R100 IonicContact OE1-CZ 3.17Å; E59-R100 IonicContact OE1-NH1 2.57Å; E59-R100 PolarHBondContact OE1-NH1 3.28Å; E59-R100 IonicContact OE1-NH2 2.77Å; E59-R100 IonicContact OE2-CZ 2.65Å; E59-R100 IonicContact OE2-NH1 3.54Å; E59-R100 PolarHBondContact OE2-NH1 3.1Å; E59-R100 IonicContact OE2-NH2 2.82Å; E59-R100 PolarHBondContact OE2-NH2 3.16Å; C97-R100 PolarHBondContact O-N 3.11Å; L98-R100 PolarHBondContact O-N 2.98Å; R100-P297 HydrophobicContact CB-CB 4.09Å; R100-P297 HydrophobicContact CG-CB 4.39Å; R100-C298 PolarHBondContact O-SG 3.4Å; R100-K299 PolarHBondContact O-N 2.9Å; R100-K299 PolarHBondContact O-NZ 2.95Å; R100-K299 VanDerWaalsContact O-NZ 3.1Å; R100-E301 IonicContact NE-OE1 2.73Å; R100-E301 PolarHBondContact NE-OE1 3.38Å; R100-E301 IonicContact NE-OE2 3.55Å; R100-E301 IonicContact NH2-OE2 3.34Å; R100-V304 HydrophobicContact CG-CG1 4.27Å; R100-V304 HydrophobicContact CG-CG2 3.88Å; R100-V304 VanDerWaalsContact CZ-CG1 3.48Å |
| 101 | Y | 91.4 | Very high | 95 | Very high | 15 Ų | 15 | 14.5 Ų | 14.5 | 6% | 0.059 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -106.3 | -12.7 | -166.4 | -66.2 | -93.6 | 0 | 0 | 0 | 114.3 | I68 F73 C97 L98 I295 P296 P297 C298 | I68-Y101 HydrophobicContact CB-CE2 4.24Å; I68-Y101 HydrophobicContact CD1-CD2 3.47Å; I68-Y101 VanDerWaalsContact CD1-CD2 3.47Å; I68-Y101 HydrophobicContact CD1-CE2 3.23Å; I68-Y101 HydrophobicContact CG1-CE2 4.13Å; F73-Y101 WeakPolarHBondContact CB-O 3.47Å; F73-Y101 HydrophobicContact CD2-CG 4.27Å; C97-Y101 WeakPolarHBondContact O-CD2 3.39Å; C97-Y101 PolarHBondContact O-N 2.99Å; L98-Y101 PolarHBondContact O-N 2.87Å; Y101-I295 HydrophobicContact CD1-CG2 4.28Å; Y101-I295 HydrophobicContact CE1-CB 3.9Å; Y101-I295 HydrophobicContact CE1-CG2 3.71Å; Y101-I295 PolarHBondContact OH-O 3.14Å; Y101-P296 WeakPolarHBondContact CE1-O 3.3Å; Y101-P297 VanDerWaalsContact CE1-CA 3.46Å; Y101-P297 HydrophobicContact CE1-CB 4.21Å; Y101-P297 HydrophobicContact CE2-CB 4.14Å; Y101-C298 VanDerWaalsContact C-SG 3.59Å |
| 102 | S | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -146.9 | -157.3 | -179.6 | -166.6 | 0 | 0 | 0 | 0 | 112.5 | L98 Q159 K299 | L98-S102 CarbonylContact O-C 3.45Å; L98-S102 WeakPolarHBondContact O-CA 3.2Å; L98-S102 PolarHBondContact O-N 3.46Å; S102-Q159 PolarHBondContact OG-NE2 3.46Å; S102-Q159 PolarHBondContact OG-OE1 3.5Å; S102-K299 WeakPolarHBondContact O-CE 3.4Å; S102-K299 PolarHBondContact O-NZ 3.09Å |
| 103 | Y | 93.6 | Very high | 94.8 | Very high | 72 Ų | 72 | 17.4 Ų | 17.4 | 28% | 0.282 | 8% | 0.078 | S | C | . | . | trans | -119.6 | 113.3 | 176.9 | -58.4 | -60.5 | 0 | 0 | 0 | 110.3 | P75 R105 L106 | P75-Y103 HydrophobicContact CB-CE2 3.86Å; Y103-R105 VanDerWaalsContact CG-NH1 3.32Å; Y103-R105 PolarHBondContact O-N 3.43Å; Y103-L106 HydrophobicContact CD2-CD1 3.91Å; Y103-L106 HydrophobicContact CG-CD1 4.49Å; Y103-L106 PolarHBondContact O-N 2.79Å | ||
| 104 | L | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 20.4 Ų | 20.4 | 7% | 0.068 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -52.5 | -26.8 | 178.9 | -69.6 | 170.3 | 0 | 0 | 0 | 114.3 | A48 L51 T52 W95 L98 M99 L106 E107 | A48-L104 HydrophobicContact CB-CB 4.35Å; L51-L104 HydrophobicContact CB-CB 4.33Å; L51-L104 HydrophobicContact CB-CD1 4.1Å; L51-L104 HydrophobicContact CD1-CB 4.15Å; L51-L104 WeakPolarHBondContact CD1-O 3.48Å; T52-L104 HydrophobicContact CG2-CD1 3.98Å; W95-L104 HydrophobicContact CB-CD2 3.73Å; W95-L104 HydrophobicContact CG-CD2 4Å; L98-L104 HydrophobicContact CB-CD2 3.82Å; M99-L104 HydrophobicContact CB-CD1 4.18Å; M99-L104 HydrophobicContact CE-CD1 3.99Å; L104-L106 VanDerWaalsContact C-N 3.26Å; L104-L106 PolarHBondContact O-N 3.13Å; L104-E107 WeakPolarHBondContact O-CB 3.09Å; L104-E107 PolarHBondContact O-N 2.6Å |
| 105 | R | 95.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 23.7 Ų | 23.7 | 28% | 0.283 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -67 | -23.2 | 178.6 | 73.1 | -179.8 | -176.5 | -84.2 | -7.2 | 114.4 | N44 A48 Y103 | N44-R105 HydrophobicContact CB-CB 4.42Å; N44-R105 WeakPolarHBondContact O-CB 3.4Å; A48-R105 HydrophobicContact CB-CB 3.76Å; Y103-R105 VanDerWaalsContact CG-NH1 3.32Å; Y103-R105 PolarHBondContact O-N 3.43Å |
| 106 | L | 94.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -87 | -16.3 | -178.2 | -53.9 | -179.5 | 0 | 0 | 0 | 111.9 | Y103 L104 K108 P157 Q159 | Y103-L106 HydrophobicContact CD2-CD1 3.91Å; Y103-L106 HydrophobicContact CG-CD1 4.49Å; Y103-L106 PolarHBondContact O-N 2.79Å; L104-L106 VanDerWaalsContact C-N 3.26Å; L104-L106 PolarHBondContact O-N 3.13Å; L106-K108 PolarHBondContact O-N 3.36Å; L106-P157 HydrophobicContact CD1-CB 4.18Å; L106-P157 HydrophobicContact CD2-CB 4.19Å; L106-P157 WeakPolarHBondContact CD2-O 3.37Å; L106-Q159 HydrophobicContact CB-CB 4.38Å; L106-Q159 HydrophobicContact CB-CG 4.14Å; L106-Q159 PolarHBondContact O-N 3.49Å |
| 107 | E | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.7 | -175.7 | -173.6 | 67.2 | -178.6 | 0 | 0 | 111 | I81 L98 L104 I109 Q159 L161 | I81-E107 WeakPolarHBondContact CD1-OE2 3.27Å; L98-E107 HydrophobicContact CD1-CB 4.12Å; L98-E107 VanDerWaalsContact CD1-CD 3.42Å; L98-E107 HydrophobicContact CD1-CG 3.83Å; L98-E107 VanDerWaalsContact CD1-OE2 3.23Å; L98-E107 WeakPolarHBondContact CD1-OE2 3.28Å; L104-E107 WeakPolarHBondContact O-CB 3.09Å; L104-E107 PolarHBondContact O-N 2.6Å; E107-I109 HydrophobicContact CG-CG1 4.25Å; E107-Q159 CarbonylContact C-O 3.6Å; E107-Q159 WeakPolarHBondContact CA-O 3.25Å; E107-Q159 WeakPolarHBondContact OE2-CB 3.48Å; E107-L161 WeakPolarHBondContact OE1-CB 3.46Å |
| 108 | K | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 2% | 0.022 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150 | 167.5 | -57.3 | -61.3 | 169.6 | -155.7 | 0 | 108.4 | N44 L106 A128 Y130 F151 L158 Q159 L160 L161 | N44-K108 PolarHBondContact OD1-NZ 2.92Å; L106-K108 PolarHBondContact O-N 3.36Å; K108-A128 WeakPolarHBondContact CE-O 3.24Å; K108-A128 PolarHBondContact NZ-O 2.98Å; K108-Y130 HydrophobicContact CD-CD1 3.93Å; K108-Y130 HydrophobicContact CD-CE1 4.06Å; K108-F151 HydrophobicContact CD-CZ 4.25Å; K108-F151 HydrophobicContact CG-CE1 4.46Å; K108-F151 HydrophobicContact CG-CZ 4.05Å; K108-L158 HydrophobicContact CB-CD1 3.74Å; K108-L158 HydrophobicContact CG-CD1 3.32Å; K108-Q159 PolarHBondContact N-O 2.88Å; K108-L160 HydrophobicContact CB-CD1 3.92Å; K108-L160 CarbonylContact O-C 3.6Å; K108-L160 WeakPolarHBondContact O-CA 3.4Å; K108-L161 PolarHBondContact O-N 2.84Å |
| 109 | I | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.3 | -176.4 | -49.6 | -178 | 0 | 0 | 0 | 108.5 | W91 W95 E107 L111 Y130 I131 L161 | W91-I109 HydrophobicContact CB-CD1 3.93Å; W95-I109 HydrophobicContact CZ2-CD1 4.13Å; E107-I109 HydrophobicContact CG-CG1 4.25Å; I109-L111 HydrophobicContact CB-CD2 4.17Å; I109-L111 HydrophobicContact CB-CG 4.21Å; I109-L111 HydrophobicContact CG2-CD2 3.75Å; I109-L111 HydrophobicContact CG2-CG 4.18Å; I109-L111 PolarHBondContact O-N 2.83Å; I109-Y130 HydrophobicContact CB-CD2 3.81Å; I109-Y130 HydrophobicContact CB-CE2 3.83Å; I109-Y130 HydrophobicContact CD1-CE2 3.88Å; I109-Y130 HydrophobicContact CG1-CD2 4.14Å; I109-Y130 HydrophobicContact CG1-CE2 3.61Å; I109-I131 PolarHBondContact O-N 2.79Å; I109-L161 HydrophobicContact CD1-CD2 4.2Å; I109-L161 HydrophobicContact CG1-CB 4.24Å; I109-L161 HydrophobicContact CG1-CD2 4.24Å; I109-L161 HydrophobicContact CG2-CB 4.38Å; I109-L161 HydrophobicContact CG2-CD2 4.04Å; I109-L161 HydrophobicContact CG2-CG 4.38Å |
| 110 | C | 95.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 14% | 0.135 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 110.5 | 166.2 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | I131 F144 L161 | C110-I131 CarbonylContact C-O 3.51Å; C110-I131 WeakPolarHBondContact CA-O 3.38Å; C110-F144 VanDerWaalsContact SG-CE2 3.55Å; C110-F144 VanDerWaalsContact SG-CZ 3.58Å; C110-L161 PolarHBondContact N-O 3.38Å; C110-L161 VanDerWaalsContact N-O 3.13Å |
| 111 | L | 93.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 155.6 | -172.7 | -67.4 | 175.7 | 0 | 0 | 0 | 112.1 | I109 A113 L115 M125 Y130 I131 F132 I133 | I109-L111 HydrophobicContact CB-CD2 4.17Å; I109-L111 HydrophobicContact CB-CG 4.21Å; I109-L111 HydrophobicContact CG2-CD2 3.75Å; I109-L111 HydrophobicContact CG2-CG 4.18Å; I109-L111 PolarHBondContact O-N 2.83Å; L111-A113 PolarHBondContact O-N 2.81Å; L111-L115 HydrophobicContact CB-CD1 4.39Å; L111-L115 HydrophobicContact CD2-CD1 4.23Å; L111-M125 HydrophobicContact CD1-CB 4.2Å; L111-M125 HydrophobicContact CD1-CE 4.22Å; L111-M125 HydrophobicContact CD1-CG 4.01Å; L111-M125 HydrophobicContact CD1-SD 3.33Å; L111-M125 WeakPolarHBondContact CD1-SD 3.24Å; L111-Y130 HydrophobicContact CD1-CD2 3.55Å; L111-Y130 HydrophobicContact CD1-CE2 4.44Å; L111-Y130 HydrophobicContact CD1-CG 4.24Å; L111-Y130 HydrophobicContact CG-CD2 4.19Å; L111-I131 PolarHBondContact N-O 2.85Å; L111-F132 HydrophobicContact CB-CD1 4.08Å; L111-F132 HydrophobicContact CB-CE1 4.23Å; L111-F132 HydrophobicContact CD1-CE1 4.12Å; L111-F132 HydrophobicContact CD1-CZ 4.37Å; L111-F132 CarbonylContact O-C 3.56Å; L111-F132 WeakPolarHBondContact O-CA 3.33Å; L111-I133 WeakPolarHBondContact O-CG1 3.34Å; L111-I133 PolarHBondContact O-N 3.03Å |
| 112 | K | 93.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 42% | 0.422 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.6 | 171.4 | -174.9 | -176.2 | 175.3 | -161.2 | 0 | 110.1 | S114 L115 I133 | K112-S114 VanDerWaalsContact CD-OG 3.23Å; K112-S114 WeakPolarHBondContact CD-OG 3.37Å; K112-S114 WeakPolarHBondContact CE-OG 3.34Å; K112-S114 PolarHBondContact NZ-OG 2.83Å; K112-S114 PolarHBondContact O-N 3.02Å; K112-L115 HydrophobicContact CB-CD1 4.37Å; K112-L115 HydrophobicContact CB-CG 4.38Å; K112-L115 WeakPolarHBondContact O-CB 3.31Å; K112-L115 PolarHBondContact O-N 2.93Å; K112-I133 CarbonylContact C-O 3.55Å; K112-I133 WeakPolarHBondContact CA-O 3.32Å |
| 113 | A | 94.2 | Very high | 94.9 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 13% | 0.132 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -53.2 | -32.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L111 L115 K116 F132 I133 | L111-A113 PolarHBondContact O-N 2.81Å; A113-L115 PolarHBondContact O-N 2.81Å; A113-L115 VanDerWaalsContact O-N 3.11Å; A113-K116 WeakPolarHBondContact O-CB 3.49Å; A113-K116 PolarHBondContact O-N 2.82Å; A113-K116 VanDerWaalsContact O-N 3.13Å; A113-F132 HydrophobicContact CB-CB 4.47Å; A113-I133 PolarHBondContact N-O 2.87Å |
| 114 | S | 93.3 | Very high | 95.1 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 44% | 0.441 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -65.6 | -12.9 | 176.9 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | K112 K116 S117 | K112-S114 VanDerWaalsContact CD-OG 3.23Å; K112-S114 WeakPolarHBondContact CD-OG 3.37Å; K112-S114 WeakPolarHBondContact CE-OG 3.34Å; K112-S114 PolarHBondContact NZ-OG 2.83Å; K112-S114 PolarHBondContact O-N 3.02Å; S114-K116 VanDerWaalsContact C-N 3.25Å; S114-S117 PolarHBondContact O-OG 2.95Å |
| 115 | L | 93.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 30.6 Ų | 30.6 | 37% | 0.366 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -77.7 | -15.6 | 176.4 | -65.5 | 176 | 0 | 0 | 0 | 112.5 | L111 K112 A113 S117 V118 G122 F132 | L111-L115 HydrophobicContact CB-CD1 4.39Å; L111-L115 HydrophobicContact CD2-CD1 4.23Å; K112-L115 HydrophobicContact CB-CD1 4.37Å; K112-L115 HydrophobicContact CB-CG 4.38Å; K112-L115 WeakPolarHBondContact O-CB 3.31Å; K112-L115 PolarHBondContact O-N 2.93Å; A113-L115 PolarHBondContact O-N 2.81Å; A113-L115 VanDerWaalsContact O-N 3.11Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 2.86Å; L115-V118 HydrophobicContact CD2-CG2 4.42Å; L115-V118 WeakPolarHBondContact O-CB 3.32Å; L115-V118 WeakPolarHBondContact O-CG2 3.18Å; L115-V118 PolarHBondContact O-N 3.35Å; L115-G122 VanDerWaalsContact O-CA 3.29Å; L115-G122 WeakPolarHBondContact O-CA 3.18Å; L115-F132 HydrophobicContact CB-CE1 4.45Å |
| 116 | K | 93.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 27 Ų | 27 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -42.3 | 180 | -168.2 | 178.2 | -168.1 | 121.4 | 0 | 113 | A113 S114 V118 G122 Q126 F132 E347 G351 E354 | A113-K116 WeakPolarHBondContact O-CB 3.49Å; A113-K116 PolarHBondContact O-N 2.82Å; A113-K116 VanDerWaalsContact O-N 3.13Å; S114-K116 VanDerWaalsContact C-N 3.25Å; K116-V118 PolarHBondContact O-N 3.17Å; K116-G122 CarbonylContact O-C 3.52Å; K116-G122 WeakPolarHBondContact O-CA 3.34Å; K116-Q126 HydrophobicContact CD-CG 4.41Å; K116-Q126 VanDerWaalsContact CE-CD 3.47Å; K116-Q126 HydrophobicContact CG-CG 3.64Å; K116-Q126 VanDerWaalsContact CG-NE2 3.32Å; K116-Q126 PolarHBondContact O-NE2 2.77Å; K116-F132 HydrophobicContact CB-CD1 4.11Å; K116-F132 HydrophobicContact CB-CE1 3.99Å; K116-F132 HydrophobicContact CB-CZ 4.46Å; K116-E347 HydrophobicContact CD-CG 3.78Å; K116-E347 HydrophobicContact CG-CG 4.06Å; K116-G351 WeakPolarHBondContact CE-O 3.35Å; K116-G351 PolarHBondContact NZ-O 2.97Å; K116-E354 IonicContact NZ-OE1 3.4Å; K116-E354 PolarHBondContact NZ-OE1 3.29Å; K116-E354 IonicContact NZ-OE2 3.58Å; K116-E354 PolarHBondContact NZ-OE2 3.44Å |
| 117 | S | 93.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 26.8 Ų | 26.8 | 48% | 0.476 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.4 | -177.8 | 69 | 0 | 0 | 0 | 0 | 114.7 | S114 L115 P119 E347 | S114-S117 PolarHBondContact O-OG 2.95Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 2.86Å; S117-P119 VanDerWaalsContact O-CD 3.29Å; S117-P119 WeakPolarHBondContact O-CD 3.38Å; S117-E347 WeakPolarHBondContact CA-OE2 3.48Å; S117-E347 WeakPolarHBondContact CB-OE1 3.2Å; S117-E347 PolarHBondContact N-OE1 3.25Å |
| 118 | V | 95.5 | Very high | 95.3 | Very high | 52 Ų | 52 | 26.7 Ų | 26.7 | 32% | 0.315 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -74 | 118.9 | 179.7 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | L115 K116 G120 F121 G122 | L115-V118 HydrophobicContact CD2-CG2 4.42Å; L115-V118 WeakPolarHBondContact O-CB 3.32Å; L115-V118 WeakPolarHBondContact O-CG2 3.18Å; L115-V118 PolarHBondContact O-N 3.35Å; K116-V118 PolarHBondContact O-N 3.17Å; V118-G120 PolarHBondContact O-N 3.13Å; V118-F121 HydrophobicContact CG1-CB 4.22Å; V118-F121 HydrophobicContact CG1-CD2 4.11Å; V118-G122 VanDerWaalsContact O-CA 3.27Å; V118-G122 WeakPolarHBondContact O-CA 3.38Å; V118-G122 PolarHBondContact O-N 2.83Å |
| 119 | P | 96 | Very high | 95.3 | Very high | 53 Ų | 53 | 26.5 Ų | 26.5 | 34% | 0.344 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 139.8 | 179.5 | -25.2 | 35.8 | 0 | 0 | 0 | 112.3 | F14 F18 S117 F121 W123 | F14-P119 HydrophobicContact CE2-CB 4.45Å; F18-P119 HydrophobicContact CD2-CB 4.11Å; F18-P119 HydrophobicContact CE2-CB 4.23Å; S117-P119 VanDerWaalsContact O-CD 3.29Å; S117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-F121 VanDerWaalsContact C-N 3.31Å; P119-F121 PolarHBondContact O-N 3Å; P119-W123 HydrophobicContact CB-CH2 3.91Å; P119-W123 HydrophobicContact CB-CZ2 3.84Å; P119-W123 HydrophobicContact CB-CZ3 4.35Å; P119-W123 HydrophobicContact CG-CZ2 4.28Å |
| 120 | G | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -73.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S17 S21 V118 W123 A124 | S17-G120 WeakPolarHBondContact O-CA 3.45Å; S21-G120 PolarHBondContact OG-O 3.41Å; V118-G120 PolarHBondContact O-N 3.13Å; G120-W123 PolarHBondContact O-N 2.88Å; G120-A124 VanDerWaalsContact O-CB 3.31Å; G120-A124 WeakPolarHBondContact O-CB 3.34Å; G120-A124 PolarHBondContact O-N 2.82Å |
| 121 | F | 94.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 25.6 Ų | 25.6 | 21% | 0.211 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -53.1 | -176.1 | -62.9 | -82.5 | 0 | 0 | 0 | 112.6 | L13 F14 W50 V118 P119 W123 A124 M125 | L13-F121 HydrophobicContact CB-CE1 4.24Å; L13-F121 HydrophobicContact CB-CZ 3.91Å; F14-F121 HydrophobicContact CB-CE2 4.18Å; F14-F121 HydrophobicContact CD2-CD2 4.46Å; F14-F121 HydrophobicContact CD2-CE2 4.04Å; W50-F121 AromaticContact CH2-CD1 3.63Å; W50-F121 HydrophobicContact CH2-CD1 3.63Å; W50-F121 AromaticContact CH2-CE1 3.38Å; W50-F121 HydrophobicContact CH2-CE1 3.38Å; W50-F121 AromaticContact CZ2-CD1 3.85Å; W50-F121 HydrophobicContact CZ2-CD1 3.85Å; W50-F121 AromaticContact CZ2-CE1 3.34Å; W50-F121 HydrophobicContact CZ2-CE1 3.34Å; W50-F121 HydrophobicContact CZ2-CZ 4.28Å; V118-F121 HydrophobicContact CG1-CB 4.22Å; V118-F121 HydrophobicContact CG1-CD2 4.11Å; P119-F121 VanDerWaalsContact C-N 3.31Å; P119-F121 PolarHBondContact O-N 3Å; F121-W123 VanDerWaalsContact C-N 3.35Å; F121-W123 PolarHBondContact O-N 2.91Å; F121-A124 PolarHBondContact O-N 2.63Å; F121-M125 WeakPolarHBondContact O-CB 3.35Å; F121-M125 WeakPolarHBondContact O-CG 3.44Å; F121-M125 PolarHBondContact O-N 3.44Å |
| 122 | G | 96.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L115 K116 V118 M125 Q126 | L115-G122 VanDerWaalsContact O-CA 3.29Å; L115-G122 WeakPolarHBondContact O-CA 3.18Å; K116-G122 CarbonylContact O-C 3.52Å; K116-G122 WeakPolarHBondContact O-CA 3.34Å; V118-G122 VanDerWaalsContact O-CA 3.27Å; V118-G122 WeakPolarHBondContact O-CA 3.38Å; V118-G122 PolarHBondContact O-N 2.83Å; G122-M125 PolarHBondContact O-N 3.2Å; G122-Q126 WeakPolarHBondContact O-CG 3.3Å; G122-Q126 PolarHBondContact O-N 2.8Å; G122-Q126 PolarHBondContact O-NE2 2.82Å |
| 123 | W | 97.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 176.1 | -61.2 | -13.6 | 0 | 0 | 0 | 112.6 | F18 I22 P119 G120 F121 Q126 A127 I340 F343 V344 | F18-W123 HydrophobicContact CD2-CE3 4.42Å; F18-W123 HydrophobicContact CD2-CH2 4.21Å; F18-W123 AromaticContact CD2-CZ3 3.67Å; F18-W123 HydrophobicContact CD2-CZ3 3.67Å; F18-W123 AromaticContact CE2-CH2 3.63Å; F18-W123 HydrophobicContact CE2-CH2 3.63Å; F18-W123 AromaticContact CE2-CZ3 3.44Å; F18-W123 HydrophobicContact CE2-CZ3 3.44Å; F18-W123 VanDerWaalsContact CE2-CZ3 3.44Å; F18-W123 HydrophobicContact CZ-CZ3 4.43Å; I22-W123 HydrophobicContact CD1-CZ3 4.26Å; I22-W123 HydrophobicContact CG1-CZ3 4.31Å; P119-W123 HydrophobicContact CB-CH2 3.91Å; P119-W123 HydrophobicContact CB-CZ2 3.84Å; P119-W123 HydrophobicContact CB-CZ3 4.35Å; P119-W123 HydrophobicContact CG-CZ2 4.28Å; G120-W123 PolarHBondContact O-N 2.88Å; F121-W123 VanDerWaalsContact C-N 3.35Å; F121-W123 PolarHBondContact O-N 2.91Å; W123-Q126 PolarHBondContact O-N 3.13Å; W123-A127 PolarHBondContact O-N 2.79Å; W123-I340 HydrophobicContact CH2-CG1 4.16Å; W123-I340 HydrophobicContact CH2-CG2 4.28Å; W123-I340 HydrophobicContact CZ3-CG1 4.37Å; W123-F343 HydrophobicContact CB-CD1 3.56Å; W123-F343 HydrophobicContact CB-CE1 3.71Å; W123-F343 HydrophobicContact CB-CG 4.13Å; W123-F343 HydrophobicContact CB-CZ 4.43Å; W123-F343 HydrophobicContact CD2-CB 3.69Å; W123-F343 HydrophobicContact CD2-CD1 4.18Å; W123-F343 HydrophobicContact CD2-CD2 4.35Å; W123-F343 AromaticContact CD2-CG 3.85Å; W123-F343 HydrophobicContact CD2-CG 3.85Å; W123-F343 HydrophobicContact CE3-CB 4.2Å; W123-F343 HydrophobicContact CE3-CD2 4.16Å; W123-F343 HydrophobicContact CE3-CG 4.13Å; W123-F343 HydrophobicContact CG-CB 3.91Å; W123-F343 AromaticContact CG-CD1 3.68Å; W123-F343 HydrophobicContact CG-CD1 3.68Å; W123-F343 HydrophobicContact CG-CE1 4.32Å; W123-F343 AromaticContact CG-CG 3.85Å; W123-F343 HydrophobicContact CG-CG 3.85Å; W123-F343 HydrophobicContact CZ2-CB 4.18Å; W123-V344 HydrophobicContact CZ2-CG2 4Å |
| 124 | A | 97.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S21 L25 G120 F121 Q126 A127 A128 | S21-A124 PolarHBondContact OG-N 3.37Å; L25-A124 HydrophobicContact CD1-CB 3.93Å; G120-A124 VanDerWaalsContact O-CB 3.31Å; G120-A124 WeakPolarHBondContact O-CB 3.34Å; G120-A124 PolarHBondContact O-N 2.82Å; F121-A124 PolarHBondContact O-N 2.63Å; A124-Q126 PolarHBondContact O-N 3.25Å; A124-A127 PolarHBondContact O-N 3.33Å; A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 3.33Å |
| 125 | M | 96.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 178.4 | -72.2 | 167.5 | 175.8 | 0 | 0 | 112.3 | L111 F121 G122 A128 A129 Y130 F132 | L111-M125 HydrophobicContact CD1-CB 4.2Å; L111-M125 HydrophobicContact CD1-CE 4.22Å; L111-M125 HydrophobicContact CD1-CG 4.01Å; L111-M125 HydrophobicContact CD1-SD 3.33Å; L111-M125 WeakPolarHBondContact CD1-SD 3.24Å; F121-M125 WeakPolarHBondContact O-CB 3.35Å; F121-M125 WeakPolarHBondContact O-CG 3.44Å; F121-M125 PolarHBondContact O-N 3.44Å; G122-M125 PolarHBondContact O-N 3.2Å; M125-A128 CarbonylContact O-C 3.58Å; M125-A128 PolarHBondContact O-N 2.94Å; M125-A129 PolarHBondContact O-N 3.41Å; M125-Y130 HydrophobicContact CB-CD2 4.42Å; M125-Y130 HydrophobicContact CB-CG 4.19Å; M125-Y130 HydrophobicContact CG-CD2 4.17Å; M125-Y130 HydrophobicContact CG-CE2 4.37Å; M125-Y130 HydrophobicContact CG-CG 4.38Å; M125-Y130 WeakPolarHBondContact O-CB 3.14Å; M125-Y130 PolarHBondContact O-N 3.4Å; M125-F132 HydrophobicContact CB-CE2 4.44Å; M125-F132 HydrophobicContact CB-CZ 3.73Å |
| 126 | Q | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -51 | 171.7 | -70.9 | 173.2 | 74.8 | 0 | 0 | 111.6 | K116 G122 W123 A124 A128 A129 F132 L353 | K116-Q126 HydrophobicContact CD-CG 4.41Å; K116-Q126 VanDerWaalsContact CE-CD 3.47Å; K116-Q126 HydrophobicContact CG-CG 3.64Å; K116-Q126 VanDerWaalsContact CG-NE2 3.32Å; K116-Q126 PolarHBondContact O-NE2 2.77Å; G122-Q126 WeakPolarHBondContact O-CG 3.3Å; G122-Q126 PolarHBondContact O-N 2.8Å; G122-Q126 PolarHBondContact O-NE2 2.82Å; W123-Q126 PolarHBondContact O-N 3.13Å; A124-Q126 PolarHBondContact O-N 3.25Å; Q126-A128 PolarHBondContact O-N 3.38Å; Q126-A129 PolarHBondContact O-N 3.31Å; Q126-F132 HydrophobicContact CB-CE2 4.48Å; Q126-F132 HydrophobicContact CG-CE2 3.78Å; Q126-F132 HydrophobicContact CG-CZ 3.97Å; Q126-L353 HydrophobicContact CB-CB 4.02Å; Q126-L353 HydrophobicContact CB-CG 4.49Å |
| 127 | A | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -24 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L25 R40 N43 W123 A124 A129 L353 | L25-A127 HydrophobicContact CD1-CB 3.93Å; R40-A127 PolarHBondContact NH1-O 2.94Å; R40-A127 VanDerWaalsContact NH1-O 3.14Å; R40-A127 PolarHBondContact NH2-O 3.5Å; N43-A127 PolarHBondContact ND2-O 3.5Å; W123-A127 PolarHBondContact O-N 2.79Å; A124-A127 PolarHBondContact O-N 3.33Å; A127-A129 VanDerWaalsContact C-N 3.31Å; A127-L353 HydrophobicContact CB-CD1 4.02Å |
| 128 | A | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 4.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R40 V47 K108 A124 M125 Q126 Y130 | R40-A128 VanDerWaalsContact NH1-CA 3.29Å; R40-A128 PolarHBondContact NH1-O 3.49Å; R40-A128 VanDerWaalsContact NH1-O 3.14Å; V47-A128 HydrophobicContact CB-CB 4.33Å; V47-A128 HydrophobicContact CG1-CB 4.08Å; V47-A128 HydrophobicContact CG2-CB 3.78Å; K108-A128 WeakPolarHBondContact CE-O 3.24Å; K108-A128 PolarHBondContact NZ-O 2.98Å; A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 3.33Å; M125-A128 CarbonylContact O-C 3.58Å; M125-A128 PolarHBondContact O-N 2.94Å; Q126-A128 PolarHBondContact O-N 3.38Å; A128-Y130 VanDerWaalsContact C-N 3.27Å; A128-Y130 HydrophobicContact CB-CD1 3.5Å; A128-Y130 HydrophobicContact CB-CE1 3.51Å; A128-Y130 PolarHBondContact O-N 2.84Å |
| 129 | A | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R40 M125 Q126 A127 M147 F151 E354 | R40-A129 VanDerWaalsContact CZ-CB 3.4Å; M125-A129 PolarHBondContact O-N 3.41Å; Q126-A129 PolarHBondContact O-N 3.31Å; A127-A129 VanDerWaalsContact C-N 3.31Å; A129-M147 HydrophobicContact CB-CE 3.95Å; A129-M147 WeakPolarHBondContact O-CE 3.42Å; A129-F151 HydrophobicContact CB-CE1 4.38Å; A129-F151 HydrophobicContact CB-CZ 4.17Å; A129-F151 WeakPolarHBondContact O-CZ 3.47Å; A129-E354 HydrophobicContact CB-CB 4.46Å |
| 130 | Y | 96.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | trans | -68.4 | 153 | 171.1 | -79.7 | 44 | 0 | 0 | 0 | 109.6 | K108 I109 L111 M125 A128 F132 | K108-Y130 HydrophobicContact CD-CD1 3.93Å; K108-Y130 HydrophobicContact CD-CE1 4.06Å; I109-Y130 HydrophobicContact CB-CD2 3.81Å; I109-Y130 HydrophobicContact CB-CE2 3.83Å; I109-Y130 HydrophobicContact CD1-CE2 3.88Å; I109-Y130 HydrophobicContact CG1-CD2 4.14Å; I109-Y130 HydrophobicContact CG1-CE2 3.61Å; L111-Y130 HydrophobicContact CD1-CD2 3.55Å; L111-Y130 HydrophobicContact CD1-CE2 4.44Å; L111-Y130 HydrophobicContact CD1-CG 4.24Å; L111-Y130 HydrophobicContact CG-CD2 4.19Å; M125-Y130 HydrophobicContact CB-CD2 4.42Å; M125-Y130 HydrophobicContact CB-CG 4.19Å; M125-Y130 HydrophobicContact CG-CD2 4.17Å; M125-Y130 HydrophobicContact CG-CE2 4.37Å; M125-Y130 HydrophobicContact CG-CG 4.38Å; M125-Y130 WeakPolarHBondContact O-CB 3.14Å; M125-Y130 PolarHBondContact O-N 3.4Å; A128-Y130 VanDerWaalsContact C-N 3.27Å; A128-Y130 HydrophobicContact CB-CD1 3.5Å; A128-Y130 HydrophobicContact CB-CE1 3.51Å; A128-Y130 PolarHBondContact O-N 2.84Å; Y130-F132 VanDerWaalsContact O-CD2 3.27Å; Y130-F132 WeakPolarHBondContact O-CD2 3.08Å | ||
| 131 | I | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115.1 | -173.8 | -50.3 | 178.9 | 0 | 0 | 0 | 109.3 | I109 C110 L111 I133 F144 M147 F151 L160 | I109-I131 PolarHBondContact O-N 2.79Å; C110-I131 CarbonylContact C-O 3.51Å; C110-I131 WeakPolarHBondContact CA-O 3.38Å; L111-I131 PolarHBondContact N-O 2.85Å; I131-I133 HydrophobicContact CG2-CG2 4.4Å; I131-F144 HydrophobicContact CB-CE2 4.33Å; I131-F144 HydrophobicContact CD1-CE2 4.42Å; I131-F144 HydrophobicContact CG2-CD2 3.35Å; I131-F144 HydrophobicContact CG2-CE2 3.47Å; I131-F144 VanDerWaalsContact CG2-CE2 3.47Å; I131-M147 HydrophobicContact CD1-CB 4.27Å; I131-M147 HydrophobicContact CG1-CB 4.2Å; I131-M147 HydrophobicContact CG1-CE 4.47Å; I131-M147 HydrophobicContact CG2-CG 4.5Å; I131-F151 HydrophobicContact CD1-CE2 4.12Å; I131-F151 HydrophobicContact CG1-CE2 4.21Å; I131-L160 HydrophobicContact CD1-CD1 3.91Å; I131-L160 HydrophobicContact CD1-CD2 3.99Å |
| 132 | F | 95.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.5 | -176.8 | -70.5 | -87.5 | 0 | 0 | 0 | 111.2 | L111 A113 L115 K116 M125 Q126 Y130 H143 E354 | L111-F132 HydrophobicContact CB-CD1 4.08Å; L111-F132 HydrophobicContact CB-CE1 4.23Å; L111-F132 HydrophobicContact CD1-CE1 4.12Å; L111-F132 HydrophobicContact CD1-CZ 4.37Å; L111-F132 CarbonylContact O-C 3.56Å; L111-F132 WeakPolarHBondContact O-CA 3.33Å; A113-F132 HydrophobicContact CB-CB 4.47Å; L115-F132 HydrophobicContact CB-CE1 4.45Å; K116-F132 HydrophobicContact CB-CD1 4.11Å; K116-F132 HydrophobicContact CB-CE1 3.99Å; K116-F132 HydrophobicContact CB-CZ 4.46Å; M125-F132 HydrophobicContact CB-CE2 4.44Å; M125-F132 HydrophobicContact CB-CZ 3.73Å; Q126-F132 HydrophobicContact CB-CE2 4.48Å; Q126-F132 HydrophobicContact CG-CE2 3.78Å; Q126-F132 HydrophobicContact CG-CZ 3.97Å; Y130-F132 VanDerWaalsContact O-CD2 3.27Å; Y130-F132 WeakPolarHBondContact O-CD2 3.08Å; F132-H143 PolarHBondContact O-CD2 2.84Å; F132-H143 PolarHBondContact O-NE2 3.36Å; F132-E354 WeakPolarHBondContact CD2-OE1 3.46Å |
| 133 | I | 94.1 | Very high | 94.2 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 19% | 0.185 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.7 | -176 | 61.9 | 167.2 | 0 | 0 | 0 | 113.1 | L111 K112 A113 I131 R135 D140 F144 | L111-I133 WeakPolarHBondContact O-CG1 3.34Å; L111-I133 PolarHBondContact O-N 3.03Å; K112-I133 CarbonylContact C-O 3.55Å; K112-I133 WeakPolarHBondContact CA-O 3.32Å; A113-I133 PolarHBondContact N-O 2.87Å; I131-I133 HydrophobicContact CG2-CG2 4.4Å; I133-R135 VanDerWaalsContact C-N 3.29Å; I133-R135 HydrophobicContact CD1-CG 4.13Å; I133-R135 HydrophobicContact CG1-CG 4.27Å; I133-D140 WeakPolarHBondContact CA-OD1 3.35Å; I133-D140 HydrophobicContact CB-CB 4.42Å; I133-D140 HydrophobicContact CG2-CB 4.28Å; I133-F144 HydrophobicContact CG2-CD2 3.82Å; I133-F144 HydrophobicContact CG2-CE2 3.85Å |
| 134 | H | 92.6 | Very high | 93.9 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 57% | 0.569 | 23% | 0.231 | S | C | * | . | trans | -81.8 | -7.6 | 173.5 | -66.5 | -82.9 | 0 | 0 | 0 | 113 | K136 D140 | H134-K136 VanDerWaalsContact C-N 3.29Å; H134-D140 WeakPolarHBondContact CB-OD1 3.34Å; H134-D140 IonicContact CD2-OD1 2.97Å; H134-D140 IonicContact CG-OD1 3.93Å; H134-D140 PolarHBondContact N-OD1 3.2Å; H134-D140 PolarHBondContact N-OD2 3.41Å | ||
| 135 | R | 89.3 | Confident | 93.8 | Very high | 118 Ų | 118 | 52.3 Ų | 52.3 | 45% | 0.445 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 64.4 | 35.3 | -175.4 | -56.1 | -178.7 | -70.8 | 178.7 | -1.5 | 111.9 | I133 D140 G166 | I133-R135 VanDerWaalsContact C-N 3.29Å; I133-R135 HydrophobicContact CD1-CG 4.13Å; I133-R135 HydrophobicContact CG1-CG 4.27Å; R135-D140 WeakPolarHBondContact CA-OD2 3.49Å; R135-D140 PolarHBondContact N-OD2 3.38Å; R135-G166 PolarHBondContact NH1-O 3.31Å |
| 136 | K | 91.4 | Very high | 93.7 | Very high | 132 Ų | 132 | 53.6 Ų | 53.6 | 57% | 0.574 | 25% | 0.248 | S | C | * | . | trans | -135.7 | 107.2 | 175.6 | -73 | 178.1 | 177 | -179.1 | 0 | 107.6 | H134 K138 D139 D140 | H134-K136 VanDerWaalsContact C-N 3.29Å; K136-K138 VanDerWaalsContact C-N 3.26Å; K136-K138 PolarHBondContact O-N 2.89Å; K136-K138 VanDerWaalsContact O-N 3.1Å; K136-D139 HydrophobicContact CB-CB 4.19Å; K136-D139 WeakPolarHBondContact CB-OD2 3.22Å; K136-D139 WeakPolarHBondContact CD-OD2 3.43Å; K136-D139 PolarHBondContact O-N 2.86Å; K136-D140 PolarHBondContact N-OD2 3.14Å; K136-D140 PolarHBondContact O-N 2.92Å | ||
| 137 | W | 91.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 35% | 0.352 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.8 | -41 | -172.1 | -178 | -115.8 | 0 | 0 | 0 | 114.4 | D139 D140 K141 F144 T198 F202 | W137-D139 VanDerWaalsContact C-N 3.28Å; W137-D139 PolarHBondContact O-N 3.3Å; W137-D140 PolarHBondContact O-N 3.44Å; W137-K141 HydrophobicContact CD2-CB 4.38Å; W137-K141 HydrophobicContact CH2-CB 4.11Å; W137-K141 HydrophobicContact CH2-CG 3.9Å; W137-K141 HydrophobicContact CZ2-CB 3.91Å; W137-K141 HydrophobicContact CZ2-CD 3.88Å; W137-K141 HydrophobicContact CZ2-CG 3.57Å; W137-K141 HydrophobicContact CZ3-CB 4.5Å; W137-K141 WeakPolarHBondContact O-CB 3.48Å; W137-K141 PolarHBondContact O-N 2.94Å; W137-F144 HydrophobicContact CZ3-CD1 4.4Å; W137-T198 HydrophobicContact CD2-CG2 3.67Å; W137-T198 HydrophobicContact CE3-CG2 4.09Å; W137-T198 HydrophobicContact CG-CG2 3.94Å; W137-T198 HydrophobicContact CZ2-CG2 4.31Å; W137-F202 HydrophobicContact CH2-CB 3.65Å; W137-F202 AromaticContact CH2-CD1 3.77Å; W137-F202 HydrophobicContact CH2-CD1 3.77Å; W137-F202 AromaticContact CH2-CD2 3.44Å; W137-F202 HydrophobicContact CH2-CD2 3.44Å; W137-F202 VanDerWaalsContact CH2-CD2 3.44Å; W137-F202 HydrophobicContact CH2-CE1 4.23Å; W137-F202 AromaticContact CH2-CE2 3.93Å; W137-F202 HydrophobicContact CH2-CE2 3.93Å; W137-F202 AromaticContact CH2-CG 3.34Å; W137-F202 HydrophobicContact CH2-CG 3.34Å; W137-F202 HydrophobicContact CH2-CZ 4.3Å; W137-F202 HydrophobicContact CZ2-CB 4.3Å; W137-F202 AromaticContact CZ2-CD2 3.65Å; W137-F202 HydrophobicContact CZ2-CD2 3.65Å; W137-F202 HydrophobicContact CZ2-CE2 4.09Å; W137-F202 HydrophobicContact CZ2-CG 4.01Å; W137-F202 HydrophobicContact CZ3-CB 4.38Å; W137-F202 HydrophobicContact CZ3-CD1 4.5Å; W137-F202 HydrophobicContact CZ3-CG 4.31Å |
| 138 | K | 92.1 | Very high | 93.4 | Very high | 197 Ų | 197 | 53.7 Ų | 53.7 | 86% | 0.857 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.5 | -35.7 | 177.2 | -84 | -171.5 | 173.1 | -175.9 | 0 | 113.6 | K136 | K136-K138 VanDerWaalsContact C-N 3.26Å; K136-K138 PolarHBondContact O-N 2.89Å; K136-K138 VanDerWaalsContact O-N 3.1Å |
| 139 | D | 91.6 | Very high | 93.3 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -84.1 | -33 | -177.1 | -54.6 | -12.7 | 0 | 0 | 0 | 110.2 | K136 W137 | K136-D139 HydrophobicContact CB-CB 4.19Å; K136-D139 WeakPolarHBondContact CB-OD2 3.22Å; K136-D139 WeakPolarHBondContact CD-OD2 3.43Å; K136-D139 PolarHBondContact O-N 2.86Å; W137-D139 VanDerWaalsContact C-N 3.28Å; W137-D139 PolarHBondContact O-N 3.3Å |
| 140 | D | 93 | Very high | 93.2 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -90.1 | -29.6 | -170.3 | -64.4 | -36.7 | 0 | 0 | 0 | 113.6 | I133 H134 R135 K136 W137 S142 H143 F144 | I133-D140 WeakPolarHBondContact CA-OD1 3.35Å; I133-D140 HydrophobicContact CB-CB 4.42Å; I133-D140 HydrophobicContact CG2-CB 4.28Å; H134-D140 WeakPolarHBondContact CB-OD1 3.34Å; H134-D140 IonicContact CD2-OD1 2.97Å; H134-D140 IonicContact CG-OD1 3.93Å; H134-D140 PolarHBondContact N-OD1 3.2Å; H134-D140 PolarHBondContact N-OD2 3.41Å; R135-D140 WeakPolarHBondContact CA-OD2 3.49Å; R135-D140 PolarHBondContact N-OD2 3.38Å; K136-D140 PolarHBondContact N-OD2 3.14Å; K136-D140 PolarHBondContact O-N 2.92Å; W137-D140 PolarHBondContact O-N 3.44Å; D140-S142 PolarHBondContact O-N 3.21Å; D140-H143 PolarHBondContact O-N 2.71Å; D140-F144 WeakPolarHBondContact O-CB 3.05Å; D140-F144 PolarHBondContact O-N 3.31Å |
| 141 | K | 93.6 | Very high | 93 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -50.1 | -53 | -167.8 | -179.5 | -174 | 176.9 | -155.9 | 0 | 113.2 | W137 F144 E145 F202 | W137-K141 HydrophobicContact CD2-CB 4.38Å; W137-K141 HydrophobicContact CH2-CB 4.11Å; W137-K141 HydrophobicContact CH2-CG 3.9Å; W137-K141 HydrophobicContact CZ2-CB 3.91Å; W137-K141 HydrophobicContact CZ2-CD 3.88Å; W137-K141 HydrophobicContact CZ2-CG 3.57Å; W137-K141 HydrophobicContact CZ3-CB 4.5Å; W137-K141 WeakPolarHBondContact O-CB 3.48Å; W137-K141 PolarHBondContact O-N 2.94Å; K141-F144 WeakPolarHBondContact O-CB 3.23Å; K141-F144 PolarHBondContact O-N 3.35Å; K141-E145 WeakPolarHBondContact O-CB 3.39Å; K141-E145 PolarHBondContact O-N 2.82Å; K141-F202 HydrophobicContact CG-CE2 4.13Å; K141-F202 HydrophobicContact CG-CZ 4.28Å |
| 142 | S | 93.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 51% | 0.51 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | -174.5 | 49 | 0 | 0 | 0 | 0 | 112.4 | D140 F144 E145 D146 | D140-S142 PolarHBondContact O-N 3.21Å; S142-F144 VanDerWaalsContact C-N 3.29Å; S142-F144 PolarHBondContact O-N 2.65Å; S142-E145 PolarHBondContact O-N 2.89Å; S142-D146 VanDerWaalsContact O-CB 3.23Å; S142-D146 WeakPolarHBondContact O-CB 3.36Å; S142-D146 PolarHBondContact O-N 2.9Å |
| 143 | H | 92.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 61 Ų | 61 | 15% | 0.148 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 174.6 | 173 | 55.9 | 0 | 0 | 0 | 111.6 | F132 D140 D146 M147 I355 | F132-H143 PolarHBondContact O-CD2 2.84Å; F132-H143 PolarHBondContact O-NE2 3.36Å; D140-H143 PolarHBondContact O-N 2.71Å; H143-D146 PolarHBondContact O-N 3.24Å; H143-M147 WeakPolarHBondContact CE1-CG 3.38Å; H143-M147 VanDerWaalsContact O-CG 3.26Å; H143-M147 WeakPolarHBondContact O-CG 3.21Å; H143-M147 PolarHBondContact O-N 2.8Å; H143-I355 VanDerWaalsContact CE1-CD1 3.43Å; H143-I355 WeakPolarHBondContact CE1-CD1 3.32Å; H143-I355 WeakPolarHBondContact ND1-CD1 3.15Å |
| 144 | F | 91.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 179.5 | -144.1 | -127.2 | 0 | 0 | 0 | 111.9 | C110 I131 I133 W137 D140 K141 S142 M147 I148 F202 V203 | C110-F144 VanDerWaalsContact SG-CE2 3.55Å; C110-F144 VanDerWaalsContact SG-CZ 3.58Å; I131-F144 HydrophobicContact CB-CE2 4.33Å; I131-F144 HydrophobicContact CD1-CE2 4.42Å; I131-F144 HydrophobicContact CG2-CD2 3.35Å; I131-F144 HydrophobicContact CG2-CE2 3.47Å; I131-F144 VanDerWaalsContact CG2-CE2 3.47Å; I133-F144 HydrophobicContact CG2-CD2 3.82Å; I133-F144 HydrophobicContact CG2-CE2 3.85Å; W137-F144 HydrophobicContact CZ3-CD1 4.4Å; D140-F144 WeakPolarHBondContact O-CB 3.05Å; D140-F144 PolarHBondContact O-N 3.31Å; K141-F144 WeakPolarHBondContact O-CB 3.23Å; K141-F144 PolarHBondContact O-N 3.35Å; S142-F144 VanDerWaalsContact C-N 3.29Å; S142-F144 PolarHBondContact O-N 2.65Å; F144-M147 PolarHBondContact O-N 2.88Å; F144-I148 HydrophobicContact CD1-CD1 4.23Å; F144-I148 WeakPolarHBondContact O-CD1 3.38Å; F144-I148 VanDerWaalsContact O-CG1 3.3Å; F144-I148 WeakPolarHBondContact O-CG1 3.38Å; F144-I148 PolarHBondContact O-N 3.01Å; F144-I148 VanDerWaalsContact O-N 3.11Å; F144-F202 HydrophobicContact CB-CE1 4.31Å; F144-F202 AromaticContact CD1-CD1 3.69Å; F144-F202 HydrophobicContact CD1-CD1 3.69Å; F144-F202 AromaticContact CD1-CE1 3.96Å; F144-F202 HydrophobicContact CD1-CE1 3.96Å; F144-F202 HydrophobicContact CE1-CD1 4.37Å; F144-V203 HydrophobicContact CD1-CG2 3.92Å; F144-V203 HydrophobicContact CE1-CG2 3.07Å; F144-V203 HydrophobicContact CZ-CG2 3.56Å |
| 145 | E | 94.7 | Very high | 91.9 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.4 | -54.7 | 172.7 | -161 | 166.9 | 159.5 | 0 | 0 | 110.5 | K141 S142 M147 I148 D149 F202 | K141-E145 WeakPolarHBondContact O-CB 3.39Å; K141-E145 PolarHBondContact O-N 2.82Å; S142-E145 PolarHBondContact O-N 2.89Å; E145-M147 VanDerWaalsContact C-N 3.29Å; E145-M147 PolarHBondContact O-N 3.42Å; E145-I148 PolarHBondContact O-N 3.25Å; E145-I148 VanDerWaalsContact O-N 3.08Å; E145-D149 PolarHBondContact O-N 3.27Å; E145-F202 HydrophobicContact CB-CE1 4.26Å; E145-F202 HydrophobicContact CB-CZ 3.75Å; E145-F202 HydrophobicContact CG-CZ 3.95Å |
| 146 | D | 94.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.7 | -41.8 | -179.6 | -84.7 | 1.2 | 0 | 0 | 0 | 113.6 | S142 H143 Y150 L358 R362 | S142-D146 VanDerWaalsContact O-CB 3.23Å; S142-D146 WeakPolarHBondContact O-CB 3.36Å; S142-D146 PolarHBondContact O-N 2.9Å; H143-D146 PolarHBondContact O-N 3.24Å; D146-Y150 WeakPolarHBondContact O-CB 3.42Å; D146-Y150 PolarHBondContact O-N 3.35Å; D146-Y150 VanDerWaalsContact O-N 3.13Å; D146-L358 HydrophobicContact CB-CD2 3.71Å; D146-L358 WeakPolarHBondContact O-CD1 3.49Å; D146-R362 IonicContact OD1-CZ 3.86Å; D146-R362 IonicContact OD1-NH1 2.51Å; D146-R362 IonicContact OD1-NH2 2.89Å; D146-R362 PolarHBondContact OD1-NH2 3.13Å; D146-R362 IonicContact OD2-CZ 2.63Å; D146-R362 IonicContact OD2-NH1 3.98Å; D146-R362 PolarHBondContact OD2-NH1 3.38Å; D146-R362 IonicContact OD2-NH2 3.81Å; D146-R362 PolarHBondContact OD2-NH2 2.84Å |
| 147 | M | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.6 | -38.8 | 178.8 | -70.4 | -62.8 | -64.2 | 0 | 0 | 112.4 | A129 I131 H143 F144 E145 Y150 F151 E354 | A129-M147 HydrophobicContact CB-CE 3.95Å; A129-M147 WeakPolarHBondContact O-CE 3.42Å; I131-M147 HydrophobicContact CD1-CB 4.27Å; I131-M147 HydrophobicContact CG1-CB 4.2Å; I131-M147 HydrophobicContact CG1-CE 4.47Å; I131-M147 HydrophobicContact CG2-CG 4.5Å; H143-M147 WeakPolarHBondContact CE1-CG 3.38Å; H143-M147 VanDerWaalsContact O-CG 3.26Å; H143-M147 WeakPolarHBondContact O-CG 3.21Å; H143-M147 PolarHBondContact O-N 2.8Å; F144-M147 PolarHBondContact O-N 2.88Å; E145-M147 VanDerWaalsContact C-N 3.29Å; E145-M147 PolarHBondContact O-N 3.42Å; M147-Y150 WeakPolarHBondContact O-CB 3.37Å; M147-Y150 PolarHBondContact O-N 3.31Å; M147-F151 HydrophobicContact CB-CE2 4.49Å; M147-F151 HydrophobicContact CE-CE2 4.15Å; M147-F151 HydrophobicContact CE-CZ 4.1Å; M147-F151 WeakPolarHBondContact O-CD2 3.27Å; M147-F151 WeakPolarHBondContact O-CG 3.16Å; M147-F151 PolarHBondContact O-N 2.69Å; M147-F151 VanDerWaalsContact O-N 3.08Å; M147-E354 HydrophobicContact CE-CB 4.29Å; M147-E354 HydrophobicContact CE-CG 4.41Å; M147-E354 HydrophobicContact SD-CG 4.35Å |
| 148 | I | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -47.2 | 177.9 | -70 | 166.5 | 0 | 0 | 0 | 110.1 | F144 E145 Y150 F151 C152 F202 V203 H206 L207 | F144-I148 HydrophobicContact CD1-CD1 4.23Å; F144-I148 WeakPolarHBondContact O-CD1 3.38Å; F144-I148 VanDerWaalsContact O-CG1 3.3Å; F144-I148 WeakPolarHBondContact O-CG1 3.38Å; F144-I148 PolarHBondContact O-N 3.01Å; F144-I148 VanDerWaalsContact O-N 3.11Å; E145-I148 PolarHBondContact O-N 3.25Å; E145-I148 VanDerWaalsContact O-N 3.08Å; I148-Y150 VanDerWaalsContact C-N 3.26Å; I148-Y150 PolarHBondContact O-N 3.33Å; I148-F151 PolarHBondContact O-N 2.92Å; I148-F151 VanDerWaalsContact O-N 3.08Å; I148-C152 PolarHBondContact O-N 3.09Å; I148-C152 PolarHBondContact O-SG 3.15Å; I148-F202 HydrophobicContact CD1-CD1 4.21Å; I148-F202 HydrophobicContact CD1-CE1 4.09Å; I148-V203 HydrophobicContact CD1-CB 4.23Å; I148-V203 HydrophobicContact CD1-CG1 4.5Å; I148-V203 HydrophobicContact CD1-CG2 3.71Å; I148-H206 HydrophobicContact CD1-CB 4.41Å; I148-H206 HydrophobicContact CG2-CB 3.69Å; I148-L207 HydrophobicContact CG2-CD2 3.67Å; I148-L207 HydrophobicContact CG2-CG 3.92Å |
| 149 | D | 92.9 | Very high | 91.6 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.6 | -45.5 | 175.5 | -72.3 | -6.6 | 0 | 0 | 0 | 110.6 | E145 F151 C152 D153 | E145-D149 PolarHBondContact O-N 3.27Å; D149-F151 PolarHBondContact O-N 2.59Å; D149-C152 WeakPolarHBondContact O-CB 3.37Å; D149-C152 PolarHBondContact O-N 2.97Å; D149-D153 WeakPolarHBondContact O-CB 3.29Å; D149-D153 PolarHBondContact O-N 2.82Å |
| 150 | Y | 93.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.9 | -47.5 | 175.1 | 172.6 | -118.3 | 0 | 0 | 0 | 112.7 | D146 M147 I148 C152 D153 I154 E357 L358 Y361 | D146-Y150 WeakPolarHBondContact O-CB 3.42Å; D146-Y150 PolarHBondContact O-N 3.35Å; D146-Y150 VanDerWaalsContact O-N 3.13Å; M147-Y150 WeakPolarHBondContact O-CB 3.37Å; M147-Y150 PolarHBondContact O-N 3.31Å; I148-Y150 VanDerWaalsContact C-N 3.26Å; I148-Y150 PolarHBondContact O-N 3.33Å; Y150-C152 VanDerWaalsContact C-N 3.33Å; Y150-C152 PolarHBondContact O-N 2.98Å; Y150-D153 PolarHBondContact O-N 2.77Å; Y150-I154 HydrophobicContact CD2-CG2 3.84Å; Y150-I154 HydrophobicContact CE1-CD1 4.07Å; Y150-I154 HydrophobicContact CE2-CD1 4.45Å; Y150-I154 HydrophobicContact CE2-CG2 3.34Å; Y150-I154 WeakPolarHBondContact O-CG1 3.33Å; Y150-I154 PolarHBondContact O-N 2.57Å; Y150-E357 PolarHBondContact OH-OE1 2.79Å; Y150-L358 HydrophobicContact CD2-CD1 4.31Å; Y150-L358 HydrophobicContact CG-CD1 3.99Å; Y150-Y361 AromaticContact CD2-CD1 3.53Å; Y150-Y361 HydrophobicContact CD2-CD1 3.53Å; Y150-Y361 HydrophobicContact CD2-CD2 4.17Å; Y150-Y361 HydrophobicContact CD2-CE1 4.02Å; Y150-Y361 AromaticContact CD2-CG 3.63Å; Y150-Y361 HydrophobicContact CD2-CG 3.63Å; Y150-Y361 AromaticContact CE2-CD1 3.89Å; Y150-Y361 HydrophobicContact CE2-CD1 3.89Å; Y150-Y361 AromaticContact CE2-CD2 3.68Å; Y150-Y361 HydrophobicContact CE2-CD2 3.68Å; Y150-Y361 HydrophobicContact CE2-CE1 4.48Å; Y150-Y361 HydrophobicContact CE2-CE2 4.3Å; Y150-Y361 AromaticContact CE2-CG 3.45Å; Y150-Y361 HydrophobicContact CE2-CG 3.45Å; Y150-Y361 VanDerWaalsContact CE2-CG 3.45Å |
| 151 | F | 92.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 178.5 | -70.9 | -53.4 | 0 | 0 | 0 | 113 | K108 A129 I131 M147 I148 D149 I154 L158 N212 | K108-F151 HydrophobicContact CD-CZ 4.25Å; K108-F151 HydrophobicContact CG-CE1 4.46Å; K108-F151 HydrophobicContact CG-CZ 4.05Å; A129-F151 HydrophobicContact CB-CE1 4.38Å; A129-F151 HydrophobicContact CB-CZ 4.17Å; A129-F151 WeakPolarHBondContact O-CZ 3.47Å; I131-F151 HydrophobicContact CD1-CE2 4.12Å; I131-F151 HydrophobicContact CG1-CE2 4.21Å; M147-F151 HydrophobicContact CB-CE2 4.49Å; M147-F151 HydrophobicContact CE-CE2 4.15Å; M147-F151 HydrophobicContact CE-CZ 4.1Å; M147-F151 WeakPolarHBondContact O-CD2 3.27Å; M147-F151 WeakPolarHBondContact O-CG 3.16Å; M147-F151 PolarHBondContact O-N 2.69Å; M147-F151 VanDerWaalsContact O-N 3.08Å; I148-F151 PolarHBondContact O-N 2.92Å; I148-F151 VanDerWaalsContact O-N 3.08Å; D149-F151 PolarHBondContact O-N 2.59Å; F151-I154 HydrophobicContact CD1-CD1 4.22Å; F151-L158 HydrophobicContact CB-CD2 4.13Å; F151-L158 HydrophobicContact CD1-CD1 4.49Å; F151-L158 HydrophobicContact CD2-CD1 4.2Å; F151-L158 HydrophobicContact CD2-CD2 3.89Å; F151-L158 HydrophobicContact CE2-CD1 4.32Å; F151-L158 HydrophobicContact CG-CD1 4.31Å; F151-L158 HydrophobicContact CG-CD2 4.12Å; F151-N212 PolarHBondContact O-ND2 3.37Å |
| 152 | C | 91.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 8% | 0.081 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | 173 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | I148 D149 Y150 I154 H155 N212 | I148-C152 PolarHBondContact O-N 3.09Å; I148-C152 PolarHBondContact O-SG 3.15Å; D149-C152 WeakPolarHBondContact O-CB 3.37Å; D149-C152 PolarHBondContact O-N 2.97Å; Y150-C152 VanDerWaalsContact C-N 3.33Å; Y150-C152 PolarHBondContact O-N 2.98Å; C152-I154 PolarHBondContact O-N 3.14Å; C152-H155 PolarHBondContact O-N 3.22Å; C152-H155 VanDerWaalsContact O-N 3.12Å; C152-N212 HydrophobicContact CB-CB 4.35Å; C152-N212 VanDerWaalsContact SG-CB 3.53Å |
| 153 | D | 90.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 30 Ų | 30 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.1 | -35.9 | -174.2 | -66.1 | -21.4 | 0 | 0 | 0 | 113.1 | D149 Y150 H155 Y361 | D149-D153 WeakPolarHBondContact O-CB 3.29Å; D149-D153 PolarHBondContact O-N 2.82Å; Y150-D153 PolarHBondContact O-N 2.77Å; D153-H155 PolarHBondContact O-CE1 2.75Å; D153-H155 PolarHBondContact O-N 2.81Å; D153-H155 PolarHBondContact O-ND1 3.14Å; D153-Y361 HydrophobicContact CB-CE1 3.92Å; D153-Y361 WeakPolarHBondContact CB-OH 3.1Å |
| 154 | I | 88.4 | Confident | 92.7 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -5.1 | 176.4 | 67.2 | 172.6 | 0 | 0 | 0 | 113.5 | R40 Y150 F151 C152 E156 Y361 | R40-I154 HydrophobicContact CG-CD1 3.65Å; Y150-I154 HydrophobicContact CD2-CG2 3.84Å; Y150-I154 HydrophobicContact CE1-CD1 4.07Å; Y150-I154 HydrophobicContact CE2-CD1 4.45Å; Y150-I154 HydrophobicContact CE2-CG2 3.34Å; Y150-I154 WeakPolarHBondContact O-CG1 3.33Å; Y150-I154 PolarHBondContact O-N 2.57Å; F151-I154 HydrophobicContact CD1-CD1 4.22Å; C152-I154 PolarHBondContact O-N 3.14Å; I154-E156 HydrophobicContact CD1-CB 3.71Å; I154-E156 HydrophobicContact CG1-CB 3.82Å; I154-E156 PolarHBondContact O-N 2.87Å; I154-E156 VanDerWaalsContact O-N 3.1Å; I154-Y361 HydrophobicContact CG2-CD2 4.04Å; I154-Y361 HydrophobicContact CG2-CE2 3.62Å |
| 155 | H | 83.9 | Confident | 92.9 | Very high | 160 Ų | 160 | 28.4 Ų | 28.4 | 74% | 0.741 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 29.2 | -179 | -58.2 | 75.3 | 0 | 0 | 0 | 113.6 | C152 D153 | C152-H155 PolarHBondContact O-N 3.22Å; C152-H155 VanDerWaalsContact O-N 3.12Å; D153-H155 PolarHBondContact O-CE1 2.75Å; D153-H155 PolarHBondContact O-N 2.81Å; D153-H155 PolarHBondContact O-ND1 3.14Å |
| 156 | E | 81.5 | Confident | 92.8 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 130.4 | 176.5 | -172.9 | 168.9 | -152.1 | 0 | 0 | 109.4 | R40 N44 I154 L158 | R40-E156 VanDerWaalsContact CD-OE2 3.3Å; R40-E156 WeakPolarHBondContact CD-OE2 3.2Å; R40-E156 WeakPolarHBondContact CG-OE2 3.12Å; N44-E156 PolarHBondContact ND2-OE1 2.79Å; N44-E156 PolarHBondContact ND2-OE2 3.37Å; I154-E156 HydrophobicContact CD1-CB 3.71Å; I154-E156 HydrophobicContact CG1-CB 3.82Å; I154-E156 PolarHBondContact O-N 2.87Å; I154-E156 VanDerWaalsContact O-N 3.1Å; E156-L158 PolarHBondContact O-N 2.73Å; E156-L158 VanDerWaalsContact O-N 3.16Å |
| 157 | P | 88 | Confident | 92.8 | Very high | 48 Ų | 48 | 26.5 Ų | 26.5 | 31% | 0.312 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 122.2 | 177.5 | -23.3 | 32.8 | 0 | 0 | 0 | 111.8 | R78 L106 | R78-P157 HydrophobicContact CG-CB 3.98Å; L106-P157 HydrophobicContact CD1-CB 4.18Å; L106-P157 HydrophobicContact CD2-CB 4.19Å; L106-P157 WeakPolarHBondContact CD2-O 3.37Å |
| 158 | L | 92.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 128.1 | -175.5 | 177.8 | 64 | 0 | 0 | 0 | 111 | R78 S79 K108 F151 E156 L160 L207 | R78-L158 CarbonylContact C-O 3.49Å; R78-L158 WeakPolarHBondContact CA-O 2.98Å; S79-L158 PolarHBondContact N-O 3.47Å; K108-L158 HydrophobicContact CB-CD1 3.74Å; K108-L158 HydrophobicContact CG-CD1 3.32Å; F151-L158 HydrophobicContact CB-CD2 4.13Å; F151-L158 HydrophobicContact CD1-CD1 4.49Å; F151-L158 HydrophobicContact CD2-CD1 4.2Å; F151-L158 HydrophobicContact CD2-CD2 3.89Å; F151-L158 HydrophobicContact CE2-CD1 4.32Å; F151-L158 HydrophobicContact CG-CD1 4.31Å; F151-L158 HydrophobicContact CG-CD2 4.12Å; E156-L158 PolarHBondContact O-N 2.73Å; E156-L158 VanDerWaalsContact O-N 3.16Å; L158-L160 HydrophobicContact CD1-CB 4.25Å; L158-L160 HydrophobicContact CD2-CB 4.07Å; L158-L160 HydrophobicContact CD2-CD2 4.44Å; L158-L160 HydrophobicContact CG-CB 3.99Å; L158-L207 HydrophobicContact CD2-CD1 4.2Å; L158-L207 HydrophobicContact CD2-CD2 3.81Å |
| 159 | Q | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 98 | 163.9 | -66.5 | -168.7 | -23.3 | 0 | 0 | 108.6 | E77 S79 I81 S102 L106 E107 K108 | E77-Q159 WeakPolarHBondContact O-CG 3.44Å; E77-Q159 PolarHBondContact O-NE2 3.26Å; S79-Q159 CarbonylContact O-C 3.55Å; S79-Q159 VanDerWaalsContact O-CA 3.3Å; S79-Q159 WeakPolarHBondContact O-CA 3.3Å; I81-Q159 HydrophobicContact CD1-CB 4.19Å; S102-Q159 PolarHBondContact OG-NE2 3.46Å; S102-Q159 PolarHBondContact OG-OE1 3.5Å; L106-Q159 HydrophobicContact CB-CB 4.38Å; L106-Q159 HydrophobicContact CB-CG 4.14Å; L106-Q159 PolarHBondContact O-N 3.49Å; E107-Q159 CarbonylContact C-O 3.6Å; E107-Q159 WeakPolarHBondContact CA-O 3.25Å; E107-Q159 WeakPolarHBondContact OE2-CB 3.48Å; K108-Q159 PolarHBondContact N-O 2.88Å |
| 160 | L | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 110.1 | -172.2 | -178.5 | 59 | 0 | 0 | 0 | 111.2 | S79 I81 K108 I131 L158 I162 V203 | S79-L160 PolarHBondContact O-N 3.36Å; I81-L160 PolarHBondContact N-O 3Å; K108-L160 HydrophobicContact CB-CD1 3.92Å; K108-L160 CarbonylContact O-C 3.6Å; K108-L160 WeakPolarHBondContact O-CA 3.4Å; I131-L160 HydrophobicContact CD1-CD1 3.91Å; I131-L160 HydrophobicContact CD1-CD2 3.99Å; L158-L160 HydrophobicContact CD1-CB 4.25Å; L158-L160 HydrophobicContact CD2-CB 4.07Å; L158-L160 HydrophobicContact CD2-CD2 4.44Å; L158-L160 HydrophobicContact CG-CB 3.99Å; L160-I162 HydrophobicContact CD2-CD1 4.23Å; L160-I162 HydrophobicContact CD2-CG1 4.5Å; L160-I162 HydrophobicContact CG-CD1 4.38Å; L160-I162 HydrophobicContact CG-CG1 4.16Å; L160-V203 HydrophobicContact CD2-CG1 3.77Å; L160-V203 HydrophobicContact CD2-CG2 4.27Å |
| 161 | L | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 126.1 | 172.3 | 176.5 | 65.9 | 0 | 0 | 0 | 111.8 | I81 M83 W91 L94 E107 K108 I109 C110 F163 | I81-L161 HydrophobicContact CB-CD1 4.21Å; I81-L161 HydrophobicContact CG2-CD1 3.82Å; I81-L161 WeakPolarHBondContact O-CA 3.29Å; M83-L161 HydrophobicContact CB-CD1 4.06Å; M83-L161 HydrophobicContact CE-CD1 4.46Å; W91-L161 HydrophobicContact CB-CD2 4.09Å; L94-L161 HydrophobicContact CD2-CD1 3.82Å; L94-L161 HydrophobicContact CD2-CD2 3.77Å; L94-L161 HydrophobicContact CD2-CG 4.27Å; E107-L161 WeakPolarHBondContact OE1-CB 3.46Å; K108-L161 PolarHBondContact O-N 2.84Å; I109-L161 HydrophobicContact CD1-CD2 4.2Å; I109-L161 HydrophobicContact CG1-CB 4.24Å; I109-L161 HydrophobicContact CG1-CD2 4.24Å; I109-L161 HydrophobicContact CG2-CB 4.38Å; I109-L161 HydrophobicContact CG2-CD2 4.04Å; I109-L161 HydrophobicContact CG2-CG 4.38Å; C110-L161 PolarHBondContact N-O 3.38Å; C110-L161 VanDerWaalsContact N-O 3.13Å; L161-F163 HydrophobicContact CD1-CE2 4.31Å; L161-F163 HydrophobicContact CD1-CZ 4.22Å; L161-F163 HydrophobicContact CD2-CE2 3.58Å; L161-F163 HydrophobicContact CD2-CZ 3.74Å; L161-F163 HydrophobicContact CG-CD2 4.42Å; L161-F163 HydrophobicContact CG-CE2 3.87Å; L161-F163 HydrophobicContact CG-CZ 4.19Å |
| 162 | I | 97 | Very high | 93.6 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.6 | 172.3 | -56.4 | 178.7 | 0 | 0 | 0 | 108.6 | V80 I81 I82 M83 L160 P164 V203 | V80-I162 HydrophobicContact CG1-CD1 4.12Å; I81-I162 PolarHBondContact O-N 3.05Å; I82-I162 WeakPolarHBondContact CA-O 3.25Å; M83-I162 PolarHBondContact N-O 3.27Å; L160-I162 HydrophobicContact CD2-CD1 4.23Å; L160-I162 HydrophobicContact CD2-CG1 4.5Å; L160-I162 HydrophobicContact CG-CD1 4.38Å; L160-I162 HydrophobicContact CG-CG1 4.16Å; I162-P164 HydrophobicContact CG2-CG 4.37Å; I162-P164 VanDerWaalsContact O-CD 3.24Å; I162-P164 WeakPolarHBondContact O-CD 2.96Å; I162-V203 HydrophobicContact CD1-CB 3.97Å; I162-V203 HydrophobicContact CD1-CG1 3.94Å; I162-V203 HydrophobicContact CD1-CG2 3.69Å |
| 163 | F | 97.1 | Very high | 93.9 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | trans | -106.7 | 93 | 166.6 | -63.8 | -83.3 | 0 | 0 | 0 | 108.6 | M83 H85 D90 W91 L161 E165 G166 | M83-F163 HydrophobicContact CB-CD1 4.26Å; M83-F163 HydrophobicContact CB-CE1 3.92Å; M83-F163 HydrophobicContact CE-CE1 3.46Å; M83-F163 VanDerWaalsContact CE-CE1 3.46Å; M83-F163 HydrophobicContact CE-CZ 3.56Å; M83-F163 HydrophobicContact CG-CE1 4.35Å; M83-F163 VanDerWaalsContact O-CD1 3.31Å; M83-F163 WeakPolarHBondContact O-CD1 3.27Å; H85-F163 HydrophobicContact CB-CB 4.17Å; H85-F163 HydrophobicContact CB-CD1 3.51Å; H85-F163 HydrophobicContact CB-CE1 4.13Å; H85-F163 HydrophobicContact CB-CG 4.05Å; H85-F163 AromaticContact CG-CD1 3.64Å; H85-F163 AromaticContact CG-CE1 3.99Å; H85-F163 AromaticContact CG-CG 3.93Å; H85-F163 AromaticContact ND1-CD1 3.9Å; H85-F163 AromaticContact ND1-CE1 3.75Å; D90-F163 HydrophobicContact CB-CE1 4.13Å; D90-F163 HydrophobicContact CB-CZ 4.11Å; W91-F163 HydrophobicContact CB-CE2 4.34Å; W91-F163 HydrophobicContact CB-CZ 4.43Å; L161-F163 HydrophobicContact CD1-CE2 4.31Å; L161-F163 HydrophobicContact CD1-CZ 4.22Å; L161-F163 HydrophobicContact CD2-CE2 3.58Å; L161-F163 HydrophobicContact CD2-CZ 3.74Å; L161-F163 HydrophobicContact CG-CD2 4.42Å; L161-F163 HydrophobicContact CG-CE2 3.87Å; L161-F163 HydrophobicContact CG-CZ 4.19Å; F163-E165 PolarHBondContact O-N 2.92Å; F163-G166 PolarHBondContact O-N 3.33Å | ||
| 164 | P | 96.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -26.8 | 177.7 | -32.8 | 38.7 | 0 | 0 | 0 | 114.4 | I82 I162 G166 P195 R196 W270 | I82-P164 HydrophobicContact CB-CG 4.4Å; I82-P164 HydrophobicContact CG2-CG 4.15Å; I162-P164 HydrophobicContact CG2-CG 4.37Å; I162-P164 VanDerWaalsContact O-CD 3.24Å; I162-P164 WeakPolarHBondContact O-CD 2.96Å; P164-G166 PolarHBondContact O-N 3.3Å; P164-P195 HydrophobicContact CB-CB 3.64Å; P164-R196 WeakPolarHBondContact O-CB 3.33Å; P164-R196 PolarHBondContact O-N 3.17Å; P164-W270 HydrophobicContact CB-CH2 3.6Å; P164-W270 HydrophobicContact CB-CZ2 3.81Å; P164-W270 HydrophobicContact CB-CZ3 4.02Å; P164-W270 HydrophobicContact CG-CH2 3.26Å; P164-W270 HydrophobicContact CG-CZ2 3.91Å; P164-W270 HydrophobicContact CG-CZ3 3.75Å |
| 165 | E | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.3 | 172.3 | -63.6 | -173.7 | -132.6 | 0 | 0 | 113.6 | N84 H85 F163 T167 L193 W270 | N84-E165 WeakPolarHBondContact CA-OE1 3.09Å; N84-E165 VanDerWaalsContact CB-OE1 3.27Å; N84-E165 WeakPolarHBondContact CB-OE1 3.08Å; H85-E165 HydrophobicContact CB-CB 4.44Å; H85-E165 PolarHBondContact N-OE1 3.32Å; F163-E165 PolarHBondContact O-N 2.92Å; E165-T167 PolarHBondContact O-N 2.97Å; E165-T167 VanDerWaalsContact O-N 3.14Å; E165-L193 HydrophobicContact CB-CB 4.07Å; E165-L193 HydrophobicContact CB-CD1 4.38Å; E165-L193 HydrophobicContact CG-CB 3.99Å; E165-L193 WeakPolarHBondContact OE2-CB 3.27Å; E165-L193 WeakPolarHBondContact OE2-CG 3.48Å; E165-L193 PolarHBondContact OE2-N 2.82Å; E165-W270 HydrophobicContact CG-CZ2 4.07Å; E165-W270 PolarHBondContact OE1-NE1 2.98Å |
| 166 | G | 92.4 | Very high | 95.4 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 32% | 0.32 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 73.4 | -5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R135 F163 P164 | R135-G166 PolarHBondContact NH1-O 3.31Å; F163-G166 PolarHBondContact O-N 3.33Å; P164-G166 PolarHBondContact O-N 3.3Å |
| 167 | T | 94.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 39 Ų | 39 | 26% | 0.258 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -162.3 | 162.3 | 174.1 | -163.7 | 0 | 0 | 0 | 0 | 109.5 | E165 L193 | E165-T167 PolarHBondContact O-N 2.97Å; E165-T167 VanDerWaalsContact O-N 3.14Å; T167-L193 HydrophobicContact CG2-CD1 3.6Å |
| 168 | D | 95.9 | Very high | 96.6 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | trans | -72 | 154 | 175.6 | 61.4 | -48.6 | 0 | 0 | 0 | 112.8 | H85 R88 T170 S173 Q229 | H85-D168 PolarHBondContact CD2-N 3.08Å; H85-D168 VanDerWaalsContact CD2-N 3.3Å; H85-D168 CarbonylContact O-C 3.59Å; H85-D168 VanDerWaalsContact O-CA 3.25Å; H85-D168 WeakPolarHBondContact O-CA 3.37Å; R88-D168 HydrophobicContact CG-CB 4.28Å; R88-D168 VanDerWaalsContact CG-OD2 3.25Å; R88-D168 WeakPolarHBondContact CG-OD2 3.34Å; D168-T170 PolarHBondContact O-N 2.87Å; D168-T170 WeakPolarHBondContact OD2-CG2 3.25Å; D168-S173 WeakPolarHBondContact O-CB 3.32Å; D168-S173 PolarHBondContact O-OG 3.34Å; D168-Q229 PolarHBondContact OD2-NE2 2.9Å | ||
| 169 | L | 97.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | trans | -70.4 | 112.9 | 175.8 | -175.7 | 68.2 | 0 | 0 | 0 | 110.7 | H85 R86 K174 Y191 L193 Q229 | H85-L169 PolarHBondContact O-N 2.95Å; R86-L169 PolarHBondContact NH1-O 2.65Å; R86-L169 VanDerWaalsContact NH1-O 3.09Å; L169-K174 HydrophobicContact CD1-CB 4.08Å; L169-K174 HydrophobicContact CD1-CD 4.43Å; L169-K174 HydrophobicContact CD1-CG 4.38Å; L169-Y191 WeakPolarHBondContact CD2-O 3.37Å; L169-L193 HydrophobicContact CD1-CD2 3.48Å; L169-L193 VanDerWaalsContact CD1-CD2 3.48Å; L169-L193 HydrophobicContact CD1-CG 3.93Å; L169-Q229 PolarHBondContact O-NE2 3.04Å; L169-Q229 PolarHBondContact O-OE1 3.1Å | ||
| 170 | T | 96.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 45 Ų | 45 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | trans | -138 | 163.9 | 175.2 | 64.2 | 0 | 0 | 0 | 0 | 108.1 | D168 N172 S173 K174 | D168-T170 PolarHBondContact O-N 2.87Å; D168-T170 WeakPolarHBondContact OD2-CG2 3.25Å; T170-N172 PolarHBondContact O-N 3.19Å; T170-S173 PolarHBondContact N-OG 3.47Å; T170-S173 PolarHBondContact O-N 3.06Å; T170-S173 PolarHBondContact O-OG 2.51Å; T170-S173 PolarHBondContact OG1-N 3.21Å; T170-S173 VanDerWaalsContact OG1-N 3.09Å; T170-S173 PolarHBondContact OG1-OG 3.37Å; T170-K174 WeakPolarHBondContact O-CB 3.3Å; T170-K174 PolarHBondContact O-N 3.33Å | ||
| 171 | E | 96.5 | Very high | 96.9 | Very high | 150 Ų | 150 | 45 Ų | 45 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -53 | -41.9 | 174.7 | -64.1 | -52 | 135.4 | 0 | 0 | 112.5 | A175 | E171-A175 WeakPolarHBondContact O-CB 3.28Å; E171-A175 PolarHBondContact O-N 2.8Å |
| 172 | N | 97.1 | Very high | 96.9 | Very high | 131 Ų | 131 | 50.7 Ų | 50.7 | 70% | 0.701 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.4 | -44.7 | 180 | -71.4 | -12 | 0 | 0 | 0 | 112.9 | T170 R176 | T170-N172 PolarHBondContact O-N 3.19Å; N172-R176 WeakPolarHBondContact O-CG 3.26Å; N172-R176 PolarHBondContact O-N 2.94Å |
| 173 | S | 97.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 179 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | D168 T170 R176 S177 | D168-S173 WeakPolarHBondContact O-CB 3.32Å; D168-S173 PolarHBondContact O-OG 3.34Å; T170-S173 PolarHBondContact N-OG 3.47Å; T170-S173 PolarHBondContact O-N 3.06Å; T170-S173 PolarHBondContact O-OG 2.51Å; T170-S173 PolarHBondContact OG1-N 3.21Å; T170-S173 VanDerWaalsContact OG1-N 3.09Å; T170-S173 PolarHBondContact OG1-OG 3.37Å; S173-R176 PolarHBondContact O-N 2.89Å; S173-S177 WeakPolarHBondContact O-CB 3.48Å; S173-S177 PolarHBondContact O-N 3.4Å |
| 174 | K | 98.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 61.7 Ų | 61.7 | 10% | 0.1 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 173.5 | -173.3 | 179 | 175.5 | -170.5 | 0 | 112.2 | L169 T170 R176 S177 N178 E190 L193 | L169-K174 HydrophobicContact CD1-CB 4.08Å; L169-K174 HydrophobicContact CD1-CD 4.43Å; L169-K174 HydrophobicContact CD1-CG 4.38Å; T170-K174 WeakPolarHBondContact O-CB 3.3Å; T170-K174 PolarHBondContact O-N 3.33Å; K174-R176 VanDerWaalsContact C-N 3.27Å; K174-R176 PolarHBondContact O-N 3Å; K174-S177 WeakPolarHBondContact O-CB 3.18Å; K174-S177 PolarHBondContact O-N 3.29Å; K174-S177 VanDerWaalsContact O-N 3.11Å; K174-N178 WeakPolarHBondContact O-CB 3.38Å; K174-N178 PolarHBondContact O-N 3.4Å; K174-E190 WeakPolarHBondContact CE-OE2 3.37Å; K174-E190 IonicContact NZ-OE1 3.45Å; K174-E190 PolarHBondContact NZ-OE1 3.43Å; K174-E190 IonicContact NZ-OE2 3.92Å; K174-E190 PolarHBondContact NZ-OE2 2.86Å; K174-L193 HydrophobicContact CB-CD2 4.19Å |
| 175 | A | 98.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 65 Ų | 65 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E171 N178 A179 | E171-A175 WeakPolarHBondContact O-CB 3.28Å; E171-A175 PolarHBondContact O-N 2.8Å; A175-N178 PolarHBondContact O-N 2.99Å; A175-A179 PolarHBondContact O-N 2.87Å |
| 176 | R | 97.8 | Very high | 96.9 | Very high | 177 Ų | 177 | 68.4 Ų | 68.4 | 67% | 0.668 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.3 | -40.2 | 175.4 | -69.1 | 174 | 63.3 | -175.6 | 3 | 112.9 | N172 S173 K174 N178 F180 | N172-R176 WeakPolarHBondContact O-CG 3.26Å; N172-R176 PolarHBondContact O-N 2.94Å; S173-R176 PolarHBondContact O-N 2.89Å; K174-R176 VanDerWaalsContact C-N 3.27Å; K174-R176 PolarHBondContact O-N 3Å; R176-N178 VanDerWaalsContact C-N 3.35Å; R176-F180 PolarHBondContact O-N 2.88Å; R176-F180 VanDerWaalsContact O-N 3.07Å |
| 177 | S | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | S173 K174 F180 A181 H194 | S173-S177 WeakPolarHBondContact O-CB 3.48Å; S173-S177 PolarHBondContact O-N 3.4Å; K174-S177 WeakPolarHBondContact O-CB 3.18Å; K174-S177 PolarHBondContact O-N 3.29Å; K174-S177 VanDerWaalsContact O-N 3.11Å; S177-F180 WeakPolarHBondContact O-CB 3.4Å; S177-F180 PolarHBondContact O-N 3.09Å; S177-A181 PolarHBondContact O-N 2.9Å; S177-H194 PolarHBondContact OG-N 2.65Å |
| 178 | N | 98.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 74.3 Ų | 74.3 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 176.6 | -73.6 | -11.6 | 0 | 0 | 0 | 112.3 | K174 A175 R176 F180 A181 E182 K188 | K174-N178 WeakPolarHBondContact O-CB 3.38Å; K174-N178 PolarHBondContact O-N 3.4Å; A175-N178 PolarHBondContact O-N 2.99Å; R176-N178 VanDerWaalsContact C-N 3.35Å; N178-F180 VanDerWaalsContact C-N 3.29Å; N178-F180 PolarHBondContact O-N 2.56Å; N178-A181 WeakPolarHBondContact O-CB 3.1Å; N178-A181 PolarHBondContact O-N 3.06Å; N178-A181 VanDerWaalsContact O-N 3.15Å; N178-E182 WeakPolarHBondContact O-CG 3.23Å; N178-E182 PolarHBondContact O-N 2.71Å; N178-K188 HydrophobicContact CB-CD 4.26Å; N178-K188 HydrophobicContact CB-CG 4.26Å |
| 179 | A | 98 | Very high | 97.3 | Very high | 54 Ų | 54 | 74 Ų | 74 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A175 K183 | A175-A179 PolarHBondContact O-N 2.87Å; A179-K183 WeakPolarHBondContact O-CB 3.48Å; A179-K183 PolarHBondContact O-N 2.97Å; A179-K183 VanDerWaalsContact O-N 3.14Å |
| 180 | F | 96.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 77.7 Ų | 77.7 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 171.1 | 170 | -93.8 | 0 | 0 | 0 | 111.6 | R176 S177 N178 K183 N184 L186 H194 | R176-F180 PolarHBondContact O-N 2.88Å; R176-F180 VanDerWaalsContact O-N 3.07Å; S177-F180 WeakPolarHBondContact O-CB 3.4Å; S177-F180 PolarHBondContact O-N 3.09Å; N178-F180 VanDerWaalsContact C-N 3.29Å; N178-F180 PolarHBondContact O-N 2.56Å; F180-K183 PolarHBondContact O-N 3.43Å; F180-N184 VanDerWaalsContact CD2-ND2 3.32Å; F180-N184 WeakPolarHBondContact CD2-ND2 3.19Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.31Å; F180-N184 PolarHBondContact O-N 3.02Å; F180-N184 PolarHBondContact O-ND2 2.86Å; F180-L186 HydrophobicContact CD1-CD1 4.49Å; F180-L186 HydrophobicContact CE1-CD1 3.79Å; F180-L186 HydrophobicContact CZ-CD1 4.48Å; F180-H194 HydrophobicContact CD1-CB 4.11Å; F180-H194 HydrophobicContact CE1-CB 4.17Å |
| 181 | A | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S177 N178 K183 N184 G185 L186 Q187 K188 | S177-A181 PolarHBondContact O-N 2.9Å; N178-A181 WeakPolarHBondContact O-CB 3.1Å; N178-A181 PolarHBondContact O-N 3.06Å; N178-A181 VanDerWaalsContact O-N 3.15Å; A181-K183 PolarHBondContact O-N 2.89Å; A181-N184 CarbonylContact O-C 3.52Å; A181-N184 PolarHBondContact O-N 2.83Å; A181-N184 VanDerWaalsContact O-N 3.14Å; A181-G185 PolarHBondContact O-N 2.92Å; A181-L186 HydrophobicContact CB-CB 4.1Å; A181-L186 PolarHBondContact O-N 3.3Å; A181-Q187 WeakPolarHBondContact CB-O 3.47Å; A181-K188 HydrophobicContact CB-CG 4.41Å |
| 182 | E | 97.6 | Very high | 97.5 | Very high | 119 Ų | 119 | 70.4 Ų | 70.4 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -56.4 | -47 | 176.5 | -72.9 | 173.3 | 179.6 | 0 | 0 | 112.2 | N178 N184 G185 K188 | N178-E182 WeakPolarHBondContact O-CG 3.23Å; N178-E182 PolarHBondContact O-N 2.71Å; E182-N184 PolarHBondContact O-N 2.93Å; E182-G185 PolarHBondContact O-N 3.11Å; E182-K188 VanDerWaalsContact CG-CE 3.45Å; E182-K188 WeakPolarHBondContact OE1-CE 3.46Å; E182-K188 IonicContact OE1-NZ 3.27Å; E182-K188 PolarHBondContact OE1-NZ 3.3Å |
| 183 | K | 97.6 | Very high | 97.6 | Very high | 185 Ų | 185 | 64.4 Ų | 64.4 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.7 | -30.2 | -179.8 | -177.3 | 176.8 | 177.4 | -178.4 | 0 | 112.9 | A179 F180 A181 | A179-K183 WeakPolarHBondContact O-CB 3.48Å; A179-K183 PolarHBondContact O-N 2.97Å; A179-K183 VanDerWaalsContact O-N 3.14Å; F180-K183 PolarHBondContact O-N 3.43Å; A181-K183 PolarHBondContact O-N 2.89Å |
| 184 | N | 96.3 | Very high | 97.6 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 8.5 | -176.9 | -64.2 | -84.4 | 0 | 0 | 0 | 113 | F180 A181 E182 L186 | F180-N184 VanDerWaalsContact CD2-ND2 3.32Å; F180-N184 WeakPolarHBondContact CD2-ND2 3.19Å; F180-N184 WeakPolarHBondContact CE2-ND2 3.31Å; F180-N184 PolarHBondContact O-N 3.02Å; F180-N184 PolarHBondContact O-ND2 2.86Å; A181-N184 CarbonylContact O-C 3.52Å; A181-N184 PolarHBondContact O-N 2.83Å; A181-N184 VanDerWaalsContact O-N 3.14Å; E182-N184 PolarHBondContact O-N 2.93Å; N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 HydrophobicContact CB-CD1 4.13Å; N184-L186 HydrophobicContact CB-CG 4.06Å; N184-L186 PolarHBondContact O-N 3.36Å |
| 185 | G | 96.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 75% | 0.753 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 26.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A181 E182 | A181-G185 PolarHBondContact O-N 2.92Å; E182-G185 PolarHBondContact O-N 3.11Å |
| 186 | L | 96.1 | Very high | 97.4 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -94 | 156.8 | 178.7 | -56.5 | 173.7 | 0 | 0 | 0 | 111.1 | F180 A181 N184 | F180-L186 HydrophobicContact CD1-CD1 4.49Å; F180-L186 HydrophobicContact CE1-CD1 3.79Å; F180-L186 HydrophobicContact CZ-CD1 4.48Å; A181-L186 HydrophobicContact CB-CB 4.1Å; A181-L186 PolarHBondContact O-N 3.3Å; N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 HydrophobicContact CB-CD1 4.13Å; N184-L186 HydrophobicContact CB-CG 4.06Å; N184-L186 PolarHBondContact O-N 3.36Å |
| 187 | Q | 96.2 | Very high | 97.3 | Very high | 90 Ų | 90 | 60 Ų | 60 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 149.9 | 171.3 | 62.8 | 174.2 | -44.8 | 0 | 0 | 112 | A181 Y189 H194 E271 | A181-Q187 WeakPolarHBondContact CB-O 3.47Å; Q187-Y189 HydrophobicContact CG-CD1 4.06Å; Q187-Y189 HydrophobicContact CG-CE1 3.48Å; Q187-Y189 VanDerWaalsContact CG-CE1 3.48Å; Q187-H194 PolarHBondContact O-CE1 3.28Å; Q187-H194 PolarHBondContact O-NE2 2.85Å; Q187-E271 PolarHBondContact NE2-OE1 2.97Å |
| 188 | K | 98 | Very high | 97.1 | Very high | 107 Ų | 107 | 62.2 Ų | 62.2 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 133.6 | 173.1 | -66.5 | 176.1 | -177.5 | 174.3 | 0 | 109.5 | N178 A181 E182 | N178-K188 HydrophobicContact CB-CD 4.26Å; N178-K188 HydrophobicContact CB-CG 4.26Å; A181-K188 HydrophobicContact CB-CG 4.41Å; E182-K188 VanDerWaalsContact CG-CE 3.45Å; E182-K188 WeakPolarHBondContact OE1-CE 3.46Å; E182-K188 IonicContact OE1-NZ 3.27Å; E182-K188 PolarHBondContact OE1-NZ 3.3Å |
| 189 | Y | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 61.7 Ų | 61.7 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 145.3 | 176.9 | -65.4 | -32.6 | 0 | 0 | 0 | 111.5 | Q187 V192 H194 W270 E271 E274 | Q187-Y189 HydrophobicContact CG-CD1 4.06Å; Q187-Y189 HydrophobicContact CG-CE1 3.48Å; Q187-Y189 VanDerWaalsContact CG-CE1 3.48Å; Y189-V192 WeakPolarHBondContact CB-O 3.43Å; Y189-V192 HydrophobicContact CD2-CG2 3.66Å; Y189-V192 HydrophobicContact CE2-CG2 4.32Å; Y189-V192 HydrophobicContact CG-CG2 3.89Å; Y189-H194 AromaticContact CD2-CD2 3.97Å; Y189-H194 AromaticContact CD2-CE1 3.62Å; Y189-H194 AromaticContact CD2-ND1 3.85Å; Y189-H194 AromaticContact CD2-NE2 3.7Å; Y189-H194 AromaticContact CE2-CE1 3.16Å; Y189-H194 WeakPolarHBondContact CE2-CE1 3.04Å; Y189-H194 AromaticContact CE2-CG 4Å; Y189-H194 AromaticContact CE2-ND1 3.34Å; Y189-H194 VanDerWaalsContact CE2-ND1 3.34Å; Y189-H194 WeakPolarHBondContact CE2-ND1 3.2Å; Y189-H194 AromaticContact CE2-NE2 3.74Å; Y189-H194 AromaticContact CZ-CE1 3.63Å; Y189-W270 HydrophobicContact CE2-CB 4.5Å; Y189-E271 WeakPolarHBondContact OH-CA 3.43Å; Y189-E271 WeakPolarHBondContact OH-CB 3.4Å; Y189-E274 HydrophobicContact CD1-CB 3.83Å; Y189-E274 HydrophobicContact CD1-CG 3.53Å; Y189-E274 HydrophobicContact CE1-CB 4.03Å; Y189-E274 HydrophobicContact CE1-CG 4.05Å; Y189-E274 HydrophobicContact CG-CB 4.29Å; Y189-E274 HydrophobicContact CG-CG 4.18Å |
| 190 | E | 98.1 | Very high | 96.8 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -98.5 | -39.8 | -179.3 | -177 | 56.8 | -144.9 | 0 | 0 | 111.7 | K174 E274 | K174-E190 WeakPolarHBondContact CE-OE2 3.37Å; K174-E190 IonicContact NZ-OE1 3.45Å; K174-E190 PolarHBondContact NZ-OE1 3.43Å; K174-E190 IonicContact NZ-OE2 3.92Å; K174-E190 PolarHBondContact NZ-OE2 2.86Å; E190-E274 WeakPolarHBondContact CB-OE1 3.31Å; E190-E274 VanDerWaalsContact N-CD 3.33Å; E190-E274 PolarHBondContact N-OE1 3.23Å; E190-E274 PolarHBondContact N-OE2 2.92Å |
| 191 | Y | 98.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -110.8 | -8.4 | -168.7 | -57.2 | -77.6 | 0 | 0 | 0 | 114.2 | L169 E274 L277 R278 Y281 | L169-Y191 WeakPolarHBondContact CD2-O 3.37Å; Y191-E274 WeakPolarHBondContact CA-OE2 3.43Å; Y191-E274 PolarHBondContact N-OE2 3.05Å; Y191-L277 HydrophobicContact CD2-CB 4.36Å; Y191-L277 HydrophobicContact CG-CB 3.94Å; Y191-R278 HydrophobicContact CD2-CB 3.96Å; Y191-R278 HydrophobicContact CE2-CB 3.6Å; Y191-R278 HydrophobicContact CE2-CG 3.94Å; Y191-Y281 AromaticContact CD1-CD2 3.39Å; Y191-Y281 HydrophobicContact CD1-CD2 3.39Å; Y191-Y281 AromaticContact CD1-CE2 3.93Å; Y191-Y281 HydrophobicContact CD1-CE2 3.93Å; Y191-Y281 HydrophobicContact CD1-CG 4.21Å; Y191-Y281 AromaticContact CE1-CD2 3.5Å; Y191-Y281 HydrophobicContact CE1-CD2 3.5Å; Y191-Y281 HydrophobicContact CE1-CE2 4.4Å; Y191-Y281 AromaticContact CE1-CG 3.85Å; Y191-Y281 HydrophobicContact CE1-CG 3.85Å; Y191-Y281 HydrophobicContact CG-CD2 4.23Å |
| 192 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -137.7 | 162.9 | 173.8 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | N84 Y189 K273 E274 L277 | N84-V192 HydrophobicContact CB-CG1 3.95Å; Y189-V192 WeakPolarHBondContact CB-O 3.43Å; Y189-V192 HydrophobicContact CD2-CG2 3.66Å; Y189-V192 HydrophobicContact CE2-CG2 4.32Å; Y189-V192 HydrophobicContact CG-CG2 3.89Å; V192-K273 HydrophobicContact CG1-CB 4.17Å; V192-E274 HydrophobicContact CG2-CB 4Å; V192-E274 PolarHBondContact N-OE2 3.09Å; V192-L277 HydrophobicContact CG1-CD1 3.57Å |
| 193 | L | 98.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 154 | 165.7 | -53.9 | 176.4 | 0 | 0 | 0 | 110.8 | E165 T167 L169 K174 W270 | E165-L193 HydrophobicContact CB-CB 4.07Å; E165-L193 HydrophobicContact CB-CD1 4.38Å; E165-L193 HydrophobicContact CG-CB 3.99Å; E165-L193 WeakPolarHBondContact OE2-CB 3.27Å; E165-L193 WeakPolarHBondContact OE2-CG 3.48Å; E165-L193 PolarHBondContact OE2-N 2.82Å; T167-L193 HydrophobicContact CG2-CD1 3.6Å; L169-L193 HydrophobicContact CD1-CD2 3.48Å; L169-L193 VanDerWaalsContact CD1-CD2 3.48Å; L169-L193 HydrophobicContact CD1-CG 3.93Å; K174-L193 HydrophobicContact CB-CD2 4.19Å; L193-W270 PolarHBondContact O-NE1 2.92Å |
| 194 | H | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 131.3 | 172.8 | -85 | -73.7 | 0 | 0 | 0 | 110.8 | S177 F180 Q187 Y189 | S177-H194 PolarHBondContact OG-N 2.65Å; F180-H194 HydrophobicContact CD1-CB 4.11Å; F180-H194 HydrophobicContact CE1-CB 4.17Å; Q187-H194 PolarHBondContact O-CE1 3.28Å; Q187-H194 PolarHBondContact O-NE2 2.85Å; Y189-H194 AromaticContact CD2-CD2 3.97Å; Y189-H194 AromaticContact CD2-CE1 3.62Å; Y189-H194 AromaticContact CD2-ND1 3.85Å; Y189-H194 AromaticContact CD2-NE2 3.7Å; Y189-H194 AromaticContact CE2-CE1 3.16Å; Y189-H194 WeakPolarHBondContact CE2-CE1 3.04Å; Y189-H194 AromaticContact CE2-CG 4Å; Y189-H194 AromaticContact CE2-ND1 3.34Å; Y189-H194 VanDerWaalsContact CE2-ND1 3.34Å; Y189-H194 WeakPolarHBondContact CE2-ND1 3.2Å; Y189-H194 AromaticContact CE2-NE2 3.74Å; Y189-H194 AromaticContact CZ-CE1 3.63Å |
| 195 | P | 97.2 | Very high | 96.6 | Very high | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 145.9 | -175.2 | 30.5 | -35 | 0 | 0 | 0 | 111.5 | P164 W270 | P164-P195 HydrophobicContact CB-CB 3.64Å; P195-W270 HydrophobicContact CB-CD2 3.69Å; P195-W270 HydrophobicContact CB-CE3 3.96Å; P195-W270 HydrophobicContact CB-CG 3.96Å; P195-W270 HydrophobicContact CG-CB 3.83Å; P195-W270 HydrophobicContact CG-CD2 3.82Å; P195-W270 HydrophobicContact CG-CE3 4.11Å; P195-W270 HydrophobicContact CG-CG 3.66Å |
| 196 | R | 94.4 | Very high | 96.5 | Very high | 146 Ų | 146 | 36 Ų | 36 | 55% | 0.551 | 17% | 0.173 | S | C | * | . | trans | -97.7 | 107 | 168.7 | -57.8 | -178.2 | -177.2 | -160.2 | -1.5 | 108.5 | P164 | P164-R196 WeakPolarHBondContact O-CB 3.33Å; P164-R196 PolarHBondContact O-N 3.17Å | ||
| 197 | T | 95.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -86.9 | -12 | -166.3 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | G199 F200 T201 Q263 C266 | T197-G199 PolarHBondContact O-N 3.16Å; T197-F200 PolarHBondContact O-N 2.85Å; T197-T201 WeakPolarHBondContact O-CG2 3.38Å; T197-T201 PolarHBondContact O-N 3.21Å; T197-T201 PolarHBondContact O-OG1 3.2Å; T197-Q263 HydrophobicContact CG2-CB 4.34Å; T197-Q263 WeakPolarHBondContact OG1-CG 3.33Å; T197-C266 HydrophobicContact CG2-CB 3.8Å |
| 198 | T | 94.8 | Very high | 96.5 | Very high | 59 Ų | 59 | 30.8 Ų | 30.8 | 36% | 0.362 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.8 | -51.5 | -175 | -48.2 | 0 | 0 | 0 | 0 | 113.1 | W137 T201 F202 | W137-T198 HydrophobicContact CD2-CG2 3.67Å; W137-T198 HydrophobicContact CE3-CG2 4.09Å; W137-T198 HydrophobicContact CG-CG2 3.94Å; W137-T198 HydrophobicContact CZ2-CG2 4.31Å; T198-T201 PolarHBondContact O-OG1 3.09Å; T198-F202 WeakPolarHBondContact O-CB 3.23Å; T198-F202 PolarHBondContact O-N 2.67Å; T198-F202 VanDerWaalsContact O-N 3.17Å |
| 199 | G | 93.4 | Very high | 96.3 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.9 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T197 V203 | T197-G199 PolarHBondContact O-N 3.16Å; G199-V203 VanDerWaalsContact O-CG2 3.27Å; G199-V203 WeakPolarHBondContact O-CG2 3.49Å; G199-V203 PolarHBondContact O-N 3.24Å; G199-V203 VanDerWaalsContact O-N 3.07Å |
| 200 | F | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -54.6 | 176.6 | 165.6 | -105.4 | 0 | 0 | 0 | 111.9 | I82 T197 F202 V203 V204 I216 L262 W265 C266 | I82-F200 HydrophobicContact CD1-CE2 4.43Å; I82-F200 HydrophobicContact CG2-CD2 3.71Å; I82-F200 HydrophobicContact CG2-CE2 3.7Å; T197-F200 PolarHBondContact O-N 2.85Å; F200-F202 VanDerWaalsContact C-N 3.33Å; F200-F202 PolarHBondContact O-N 2.98Å; F200-V203 PolarHBondContact O-N 2.96Å; F200-V204 HydrophobicContact CD2-CG2 4.04Å; F200-V204 HydrophobicContact CE2-CG2 3.58Å; F200-V204 HydrophobicContact CZ-CG2 3.86Å; F200-V204 WeakPolarHBondContact O-CG2 3.49Å; F200-V204 PolarHBondContact O-N 3.43Å; F200-I216 HydrophobicContact CE2-CD1 3.8Å; F200-I216 HydrophobicContact CZ-CD1 3.67Å; F200-L262 HydrophobicContact CE1-CD1 4.01Å; F200-L262 HydrophobicContact CE1-CD2 4.35Å; F200-L262 HydrophobicContact CE1-CG 3.83Å; F200-L262 HydrophobicContact CZ-CD1 4.2Å; F200-L262 HydrophobicContact CZ-CG 4.44Å; F200-W265 HydrophobicContact CE1-CE3 4.05Å; F200-W265 HydrophobicContact CE1-CZ3 4.15Å; F200-W265 HydrophobicContact CE2-CZ3 4.34Å; F200-W265 AromaticContact CZ-CE3 3.84Å; F200-W265 HydrophobicContact CZ-CE3 3.84Å; F200-W265 AromaticContact CZ-CZ3 3.51Å; F200-W265 HydrophobicContact CZ-CZ3 3.51Å; F200-C266 HydrophobicContact CD1-CB 3.78Å; F200-C266 HydrophobicContact CE1-CB 3.68Å |
| 201 | T | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 179.8 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | T197 T198 V203 V204 D205 K259 L262 Q263 | T197-T201 WeakPolarHBondContact O-CG2 3.38Å; T197-T201 PolarHBondContact O-N 3.21Å; T197-T201 PolarHBondContact O-OG1 3.2Å; T198-T201 PolarHBondContact O-OG1 3.09Å; T201-V203 PolarHBondContact O-N 3.34Å; T201-V204 PolarHBondContact O-N 3.41Å; T201-D205 WeakPolarHBondContact O-CB 3.45Å; T201-D205 PolarHBondContact O-N 3.21Å; T201-K259 HydrophobicContact CG2-CG 4.47Å; T201-L262 HydrophobicContact CG2-CB 4.05Å; T201-L262 HydrophobicContact CG2-CD2 3.95Å; T201-L262 HydrophobicContact CG2-CG 3.93Å; T201-Q263 HydrophobicContact CG2-CB 4.46Å; T201-Q263 HydrophobicContact CG2-CG 3.56Å |
| 202 | F | 95.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -47.5 | 176.2 | -178 | -91 | 0 | 0 | 0 | 113 | W137 K141 F144 E145 I148 T198 F200 D205 H206 | W137-F202 HydrophobicContact CH2-CB 3.65Å; W137-F202 AromaticContact CH2-CD1 3.77Å; W137-F202 HydrophobicContact CH2-CD1 3.77Å; W137-F202 AromaticContact CH2-CD2 3.44Å; W137-F202 HydrophobicContact CH2-CD2 3.44Å; W137-F202 VanDerWaalsContact CH2-CD2 3.44Å; W137-F202 HydrophobicContact CH2-CE1 4.23Å; W137-F202 AromaticContact CH2-CE2 3.93Å; W137-F202 HydrophobicContact CH2-CE2 3.93Å; W137-F202 AromaticContact CH2-CG 3.34Å; W137-F202 HydrophobicContact CH2-CG 3.34Å; W137-F202 HydrophobicContact CH2-CZ 4.3Å; W137-F202 HydrophobicContact CZ2-CB 4.3Å; W137-F202 AromaticContact CZ2-CD2 3.65Å; W137-F202 HydrophobicContact CZ2-CD2 3.65Å; W137-F202 HydrophobicContact CZ2-CE2 4.09Å; W137-F202 HydrophobicContact CZ2-CG 4.01Å; W137-F202 HydrophobicContact CZ3-CB 4.38Å; W137-F202 HydrophobicContact CZ3-CD1 4.5Å; W137-F202 HydrophobicContact CZ3-CG 4.31Å; K141-F202 HydrophobicContact CG-CE2 4.13Å; K141-F202 HydrophobicContact CG-CZ 4.28Å; F144-F202 HydrophobicContact CB-CE1 4.31Å; F144-F202 AromaticContact CD1-CD1 3.69Å; F144-F202 HydrophobicContact CD1-CD1 3.69Å; F144-F202 AromaticContact CD1-CE1 3.96Å; F144-F202 HydrophobicContact CD1-CE1 3.96Å; F144-F202 HydrophobicContact CE1-CD1 4.37Å; E145-F202 HydrophobicContact CB-CE1 4.26Å; E145-F202 HydrophobicContact CB-CZ 3.75Å; E145-F202 HydrophobicContact CG-CZ 3.95Å; I148-F202 HydrophobicContact CD1-CD1 4.21Å; I148-F202 HydrophobicContact CD1-CE1 4.09Å; T198-F202 WeakPolarHBondContact O-CB 3.23Å; T198-F202 PolarHBondContact O-N 2.67Å; T198-F202 VanDerWaalsContact O-N 3.17Å; F200-F202 VanDerWaalsContact C-N 3.33Å; F200-F202 PolarHBondContact O-N 2.98Å; F202-D205 PolarHBondContact O-N 3.03Å; F202-H206 AromaticContact CD1-ND1 3.94Å; F202-H206 AromaticContact CD2-CE1 3.37Å; F202-H206 WeakPolarHBondContact CD2-CE1 3.39Å; F202-H206 AromaticContact CD2-ND1 3.71Å; F202-H206 AromaticContact CE1-CE1 3.95Å; F202-H206 AromaticContact CE1-ND1 3.89Å; F202-H206 AromaticContact CE2-CE1 3Å; F202-H206 WeakPolarHBondContact CE2-CE1 3.23Å; F202-H206 AromaticContact CE2-ND1 3.67Å; F202-H206 AromaticContact CE2-NE2 3.4Å; F202-H206 WeakPolarHBondContact CE2-NE2 3.41Å; F202-H206 AromaticContact CG-CE1 3.99Å; F202-H206 AromaticContact CG-ND1 3.86Å; F202-H206 AromaticContact CZ-CD2 3.86Å; F202-H206 AromaticContact CZ-CE1 3.33Å; F202-H206 WeakPolarHBondContact CZ-CE1 3.42Å; F202-H206 AromaticContact CZ-ND1 3.74Å; F202-H206 AromaticContact CZ-NE2 3.34Å; F202-H206 VanDerWaalsContact CZ-NE2 3.34Å; F202-H206 WeakPolarHBondContact CZ-NE2 3.34Å; F202-H206 PolarHBondContact O-N 2.63Å; F202-H206 PolarHBondContact O-ND1 2.78Å |
| 203 | V | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 178.9 | 165.9 | 0 | 0 | 0 | 0 | 111.8 | V80 F144 I148 L160 I162 G199 F200 T201 D205 H206 L207 | V80-V203 HydrophobicContact CG2-CG1 3.62Å; F144-V203 HydrophobicContact CD1-CG2 3.92Å; F144-V203 HydrophobicContact CE1-CG2 3.07Å; F144-V203 HydrophobicContact CZ-CG2 3.56Å; I148-V203 HydrophobicContact CD1-CB 4.23Å; I148-V203 HydrophobicContact CD1-CG1 4.5Å; I148-V203 HydrophobicContact CD1-CG2 3.71Å; L160-V203 HydrophobicContact CD2-CG1 3.77Å; L160-V203 HydrophobicContact CD2-CG2 4.27Å; I162-V203 HydrophobicContact CD1-CB 3.97Å; I162-V203 HydrophobicContact CD1-CG1 3.94Å; I162-V203 HydrophobicContact CD1-CG2 3.69Å; G199-V203 VanDerWaalsContact O-CG2 3.27Å; G199-V203 WeakPolarHBondContact O-CG2 3.49Å; G199-V203 PolarHBondContact O-N 3.24Å; G199-V203 VanDerWaalsContact O-N 3.07Å; F200-V203 PolarHBondContact O-N 2.96Å; T201-V203 PolarHBondContact O-N 3.34Å; V203-D205 VanDerWaalsContact C-N 3.31Å; V203-D205 PolarHBondContact O-N 3.25Å; V203-H206 PolarHBondContact O-N 2.85Å; V203-L207 HydrophobicContact CG1-CD1 3.54Å; V203-L207 HydrophobicContact CG1-CG 4.25Å; V203-L207 WeakPolarHBondContact O-CB 3.46Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.43Å |
| 204 | V | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | -177.6 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | V80 F200 T201 R208 L213 I216 L262 | V80-V204 HydrophobicContact CG2-CG2 4.28Å; F200-V204 HydrophobicContact CD2-CG2 4.04Å; F200-V204 HydrophobicContact CE2-CG2 3.58Å; F200-V204 HydrophobicContact CZ-CG2 3.86Å; F200-V204 WeakPolarHBondContact O-CG2 3.49Å; F200-V204 PolarHBondContact O-N 3.43Å; T201-V204 PolarHBondContact O-N 3.41Å; V204-R208 WeakPolarHBondContact O-CB 3.18Å; V204-R208 PolarHBondContact O-N 3.24Å; V204-L213 HydrophobicContact CB-CD2 4.35Å; V204-L213 HydrophobicContact CG1-CD2 3.87Å; V204-I216 HydrophobicContact CG1-CD1 4.36Å; V204-I216 HydrophobicContact CG2-CD1 3.75Å; V204-I216 HydrophobicContact CG2-CG1 4.46Å; V204-L262 HydrophobicContact CB-CD2 3.76Å; V204-L262 HydrophobicContact CG1-CD1 4.45Å; V204-L262 HydrophobicContact CG1-CD2 3.55Å; V204-L262 HydrophobicContact CG2-CD2 4.45Å |
| 205 | D | 95.4 | Very high | 95.4 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 179.2 | -66.4 | -22.7 | 0 | 0 | 0 | 111.3 | T201 F202 V203 R208 E209 | T201-D205 WeakPolarHBondContact O-CB 3.45Å; T201-D205 PolarHBondContact O-N 3.21Å; F202-D205 PolarHBondContact O-N 3.03Å; V203-D205 VanDerWaalsContact C-N 3.31Å; V203-D205 PolarHBondContact O-N 3.25Å; D205-R208 WeakPolarHBondContact O-CB 3.4Å; D205-R208 PolarHBondContact O-N 3.23Å; D205-R208 IonicContact OD1-NH1 3.46Å; D205-R208 PolarHBondContact OD1-NH1 3.18Å; D205-E209 WeakPolarHBondContact O-CG 3.37Å; D205-E209 PolarHBondContact O-N 2.99Å |
| 206 | H | 94.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 15% | 0.153 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | -178.5 | -74.2 | 62.8 | 0 | 0 | 0 | 112.5 | I148 F202 V203 R208 E209 G210 | I148-H206 HydrophobicContact CD1-CB 4.41Å; I148-H206 HydrophobicContact CG2-CB 3.69Å; F202-H206 AromaticContact CD1-ND1 3.94Å; F202-H206 AromaticContact CD2-CE1 3.37Å; F202-H206 WeakPolarHBondContact CD2-CE1 3.39Å; F202-H206 AromaticContact CD2-ND1 3.71Å; F202-H206 AromaticContact CE1-CE1 3.95Å; F202-H206 AromaticContact CE1-ND1 3.89Å; F202-H206 AromaticContact CE2-CE1 3Å; F202-H206 WeakPolarHBondContact CE2-CE1 3.23Å; F202-H206 AromaticContact CE2-ND1 3.67Å; F202-H206 AromaticContact CE2-NE2 3.4Å; F202-H206 WeakPolarHBondContact CE2-NE2 3.41Å; F202-H206 AromaticContact CG-CE1 3.99Å; F202-H206 AromaticContact CG-ND1 3.86Å; F202-H206 AromaticContact CZ-CD2 3.86Å; F202-H206 AromaticContact CZ-CE1 3.33Å; F202-H206 WeakPolarHBondContact CZ-CE1 3.42Å; F202-H206 AromaticContact CZ-ND1 3.74Å; F202-H206 AromaticContact CZ-NE2 3.34Å; F202-H206 VanDerWaalsContact CZ-NE2 3.34Å; F202-H206 WeakPolarHBondContact CZ-NE2 3.34Å; F202-H206 PolarHBondContact O-N 2.63Å; F202-H206 PolarHBondContact O-ND1 2.78Å; V203-H206 PolarHBondContact O-N 2.85Å; H206-R208 VanDerWaalsContact C-N 3.31Å; H206-R208 PolarHBondContact O-N 3Å; H206-E209 PolarHBondContact O-N 3.48Å; H206-G210 PolarHBondContact O-N 3.02Å |
| 207 | L | 95.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.6 | -33.5 | 176.1 | -69.4 | 172.2 | 0 | 0 | 0 | 111.6 | V80 I148 L158 V203 K211 N212 L213 | V80-L207 HydrophobicContact CG2-CD1 3.64Å; I148-L207 HydrophobicContact CG2-CD2 3.67Å; I148-L207 HydrophobicContact CG2-CG 3.92Å; L158-L207 HydrophobicContact CD2-CD1 4.2Å; L158-L207 HydrophobicContact CD2-CD2 3.81Å; V203-L207 HydrophobicContact CG1-CD1 3.54Å; V203-L207 HydrophobicContact CG1-CG 4.25Å; V203-L207 WeakPolarHBondContact O-CB 3.46Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.43Å; L207-K211 PolarHBondContact O-N 2.99Å; L207-N212 HydrophobicContact CD2-CB 4.22Å; L207-N212 CarbonylContact O-C 3.57Å; L207-N212 PolarHBondContact O-N 3.07Å; L207-L213 HydrophobicContact CB-CB 3.84Å; L207-L213 HydrophobicContact CB-CD2 4.35Å; L207-L213 PolarHBondContact O-N 2.97Å |
| 208 | R | 95.2 | Very high | 95.7 | Very high | 54 Ų | 54 | 29.8 Ų | 29.8 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 173.6 | -177.8 | -170.5 | -72.7 | 154.1 | -12.8 | 110.8 | V204 D205 H206 K211 I252 P256 | V204-R208 WeakPolarHBondContact O-CB 3.18Å; V204-R208 PolarHBondContact O-N 3.24Å; D205-R208 WeakPolarHBondContact O-CB 3.4Å; D205-R208 PolarHBondContact O-N 3.23Å; D205-R208 IonicContact OD1-NH1 3.46Å; D205-R208 PolarHBondContact OD1-NH1 3.18Å; H206-R208 VanDerWaalsContact C-N 3.31Å; H206-R208 PolarHBondContact O-N 3Å; R208-K211 PolarHBondContact O-N 3.45Å; R208-K211 VanDerWaalsContact O-N 3.07Å; R208-I252 HydrophobicContact CB-CD1 4.35Å; R208-I252 HydrophobicContact CG-CD1 4.17Å; R208-I252 HydrophobicContact CG-CG1 4.3Å; R208-I252 VanDerWaalsContact NE-CD1 3.34Å; R208-P256 PolarHBondContact NH1-O 3.13Å; R208-P256 PolarHBondContact NH2-O 3.11Å |
| 209 | E | 93.8 | Very high | 95.9 | Very high | 150 Ų | 150 | 27 Ų | 27 | 70% | 0.701 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -60.5 | -44.5 | 176.7 | -74.1 | 174.4 | -171.5 | 0 | 0 | 112 | D205 H206 K211 | D205-E209 WeakPolarHBondContact O-CG 3.37Å; D205-E209 PolarHBondContact O-N 2.99Å; H206-E209 PolarHBondContact O-N 3.48Å; E209-K211 PolarHBondContact O-N 3.06Å; E209-K211 VanDerWaalsContact O-N 3.12Å |
| 210 | G | 93.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 26 Ų | 26 | 37% | 0.371 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 5.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H206 N212 | H206-G210 PolarHBondContact O-N 3.02Å; G210-N212 PolarHBondContact O-N 2.91Å; G210-N212 VanDerWaalsContact O-N 3.12Å |
| 211 | K | 93.3 | Very high | 96.2 | Very high | 169 Ų | 169 | 26 Ų | 26 | 74% | 0.735 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.9 | -176.7 | -58.4 | -179.1 | -178.6 | 176.5 | 0 | 113.1 | R78 L207 R208 E209 | R78-K211 PolarHBondContact NH1-O 3.4Å; R78-K211 PolarHBondContact NH2-O 3.27Å; L207-K211 PolarHBondContact O-N 2.99Å; R208-K211 PolarHBondContact O-N 3.45Å; R208-K211 VanDerWaalsContact O-N 3.07Å; E209-K211 PolarHBondContact O-N 3.06Å; E209-K211 VanDerWaalsContact O-N 3.12Å |
| 212 | N | 94.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -117.4 | 30.8 | -176.4 | -157.3 | 26.5 | 0 | 0 | 0 | 112.3 | R78 F151 C152 L207 G210 | R78-N212 WeakPolarHBondContact CD-OD1 3.22Å; F151-N212 PolarHBondContact O-ND2 3.37Å; C152-N212 HydrophobicContact CB-CB 4.35Å; C152-N212 VanDerWaalsContact SG-CB 3.53Å; L207-N212 HydrophobicContact CD2-CB 4.22Å; L207-N212 CarbonylContact O-C 3.57Å; L207-N212 PolarHBondContact O-N 3.07Å; G210-N212 PolarHBondContact O-N 2.91Å; G210-N212 VanDerWaalsContact O-N 3.12Å | ||
| 213 | L | 96.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | trans | -140.4 | 120.1 | 177.1 | -175.3 | 57.6 | 0 | 0 | 0 | 110.8 | V80 V204 L207 A215 I252 | V80-L213 HydrophobicContact CB-CD1 4.47Å; V80-L213 HydrophobicContact CG2-CD1 3.91Å; V204-L213 HydrophobicContact CB-CD2 4.35Å; V204-L213 HydrophobicContact CG1-CD2 3.87Å; L207-L213 HydrophobicContact CB-CB 3.84Å; L207-L213 HydrophobicContact CB-CD2 4.35Å; L207-L213 PolarHBondContact O-N 2.97Å; L213-A215 VanDerWaalsContact CD1-O 3.25Å; L213-A215 WeakPolarHBondContact CD1-O 3.19Å; L213-I252 HydrophobicContact CD2-CD1 3.62Å; L213-I252 HydrophobicContact CG-CD1 3.92Å | ||
| 214 | D | 97 | Very high | 96.3 | Very high | 47 Ų | 47 | 25.7 Ų | 25.7 | 25% | 0.251 | 13% | 0.128 | S | C | . | . | trans | -101.4 | -35.5 | 177.2 | -59.4 | -45.5 | 0 | 0 | 0 | 111.9 | E77 R78 I252 | E77-D214 HydrophobicContact CG-CB 3.55Å; R78-D214 VanDerWaalsContact CB-OD2 3.26Å; R78-D214 WeakPolarHBondContact CB-OD2 3.2Å; R78-D214 WeakPolarHBondContact CG-OD2 2.99Å; R78-D214 IonicContact CZ-OD1 3.35Å; R78-D214 IonicContact CZ-OD2 3.59Å; R78-D214 PolarHBondContact N-OD2 2.99Å; R78-D214 IonicContact NE-OD1 3.9Å; R78-D214 PolarHBondContact NE-OD1 3.25Å; R78-D214 IonicContact NE-OD2 3.35Å; R78-D214 PolarHBondContact NE-OD2 2.86Å; R78-D214 IonicContact NH2-OD1 3.77Å; R78-D214 PolarHBondContact NH2-OD1 2.82Å; R78-D214 IonicContact NH2-OD2 2.72Å; R78-D214 WeakPolarHBondContact O-CB 3.25Å; R78-D214 PolarHBondContact O-N 2.96Å; D214-I252 WeakPolarHBondContact O-CB 3.45Å; D214-I252 PolarHBondContact O-N 3.23Å | ||
| 215 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R78 S79 V80 L213 R249 Y250 | R78-A215 PolarHBondContact O-N 3.43Å; S79-A215 WeakPolarHBondContact CA-O 3.21Å; S79-A215 WeakPolarHBondContact CB-O 3.33Å; V80-A215 PolarHBondContact N-O 3.01Å; L213-A215 VanDerWaalsContact CD1-O 3.25Å; L213-A215 WeakPolarHBondContact CD1-O 3.19Å; A215-R249 HydrophobicContact CB-CG 4Å; A215-Y250 CarbonylContact C-O 3.49Å; A215-Y250 WeakPolarHBondContact CA-O 3.42Å; A215-Y250 WeakPolarHBondContact CB-O 3.23Å |
| 216 | I | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127 | 161.6 | -65.3 | 176.6 | 0 | 0 | 0 | 108.9 | V80 I82 F200 V204 Y250 L255 W265 | V80-I216 HydrophobicContact CB-CG1 4.31Å; V80-I216 CarbonylContact O-C 3.13Å; V80-I216 VanDerWaalsContact O-CA 3.31Å; V80-I216 WeakPolarHBondContact O-CA 3.4Å; I82-I216 HydrophobicContact CD1-CG2 3.82Å; I82-I216 HydrophobicContact CG1-CG2 3.91Å; F200-I216 HydrophobicContact CE2-CD1 3.8Å; F200-I216 HydrophobicContact CZ-CD1 3.67Å; V204-I216 HydrophobicContact CG1-CD1 4.36Å; V204-I216 HydrophobicContact CG2-CD1 3.75Å; V204-I216 HydrophobicContact CG2-CG1 4.46Å; I216-Y250 PolarHBondContact N-O 2.81Å; I216-Y250 PolarHBondContact O-N 3.21Å; I216-L255 HydrophobicContact CB-CD1 4.34Å; I216-L255 HydrophobicContact CD1-CD1 3.33Å; I216-L255 HydrophobicContact CD1-CD2 4.01Å; I216-L255 HydrophobicContact CD1-CG 4.33Å; I216-L255 HydrophobicContact CG1-CD1 3.61Å; I216-W265 HydrophobicContact CB-CH2 4.39Å; I216-W265 HydrophobicContact CD1-CH2 4.17Å; I216-W265 HydrophobicContact CD1-CZ3 4.23Å; I216-W265 HydrophobicContact CG2-CH2 3.87Å; I216-W265 HydrophobicContact CG2-CZ3 4.47Å |
| 217 | H | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 108.1 | 169.1 | -67.6 | 97.1 | 0 | 0 | 0 | 108.9 | F73 E77 S79 V80 I81 I82 | F73-H217 AromaticContact CD1-CD2 3.65Å; F73-H217 AromaticContact CD1-CE1 3.89Å; F73-H217 AromaticContact CD1-NE2 3.56Å; F73-H217 HydrophobicContact CE1-CB 4.18Å; F73-H217 AromaticContact CE1-CD2 3.75Å; F73-H217 AromaticContact CE1-CG 3.77Å; E77-H217 IonicContact OE2-CE1 2.67Å; E77-H217 PolarHBondContact OE2-CE1 2.83Å; E77-H217 IonicContact OE2-NE2 3.91Å; E77-H217 PolarHBondContact OE2-NE2 3.32Å; S79-H217 WeakPolarHBondContact CB-ND1 3.49Å; S79-H217 PolarHBondContact OG-ND1 3.21Å; V80-H217 PolarHBondContact O-N 2.91Å; I81-H217 WeakPolarHBondContact CA-O 3.16Å; I81-H217 HydrophobicContact CG1-CB 4.18Å; I82-H217 PolarHBondContact N-O 2.84Å |
| 218 | D | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110.7 | 174.8 | -175.8 | 28.6 | 0 | 0 | 0 | 110.7 | I82 H248 Y250 R269 K273 | I82-D218 HydrophobicContact CD1-CB 4.13Å; I82-D218 HydrophobicContact CG1-CB 4.03Å; I82-D218 WeakPolarHBondContact CG1-OD1 3.47Å; D218-H248 HydrophobicContact CB-CB 4.46Å; D218-H248 PolarHBondContact N-O 3.14Å; D218-H248 PolarHBondContact O-N 2.67Å; D218-Y250 HydrophobicContact CB-CD2 4.15Å; D218-Y250 HydrophobicContact CB-CE2 3.78Å; D218-R269 WeakPolarHBondContact OD2-CD 3.37Å; D218-K273 WeakPolarHBondContact OD1-CE 3.24Å; D218-K273 IonicContact OD1-NZ 3.29Å; D218-K273 PolarHBondContact OD1-NZ 3.34Å |
| 219 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.8 | -173.7 | -54.6 | -178 | 0 | 0 | 0 | 110.4 | F73 I81 I82 M83 L94 F245 H246 V247 K273 | F73-I219 HydrophobicContact CZ-CD1 3.77Å; I81-I219 HydrophobicContact CG2-CD1 3.47Å; I81-I219 VanDerWaalsContact CG2-CD1 3.47Å; I81-I219 HydrophobicContact CG2-CG1 4.07Å; I82-I219 PolarHBondContact O-N 3.48Å; M83-I219 WeakPolarHBondContact CA-O 3.43Å; M83-I219 HydrophobicContact CB-CB 4.3Å; M83-I219 HydrophobicContact CG-CB 3.99Å; M83-I219 HydrophobicContact CG-CG2 4.02Å; M83-I219 HydrophobicContact SD-CB 4.24Å; M83-I219 HydrophobicContact SD-CG2 3.82Å; L94-I219 HydrophobicContact CD1-CD1 3.69Å; I219-F245 HydrophobicContact CG2-CB 4.28Å; I219-F245 HydrophobicContact CG2-CD1 3.71Å; I219-F245 HydrophobicContact CG2-CG 4.46Å; I219-H246 CarbonylContact C-O 3.51Å; I219-H246 WeakPolarHBondContact CA-O 3.26Å; I219-V247 HydrophobicContact CG1-CG1 4.42Å; I219-V247 HydrophobicContact CG1-CG2 4.29Å; I219-K273 PolarHBondContact O-NZ 3.08Å |
| 220 | T | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.6 | 163.7 | -49.1 | 0 | 0 | 0 | 0 | 109.1 | N84 F245 H246 R276 L277 F287 | N84-T220 VanDerWaalsContact OD1-CA 3.29Å; N84-T220 WeakPolarHBondContact OD1-CA 3.45Å; T220-F245 CarbonylContact O-C 3.59Å; T220-F245 WeakPolarHBondContact O-CA 3.43Å; T220-H246 PolarHBondContact N-O 2.74Å; T220-H246 PolarHBondContact O-N 3.19Å; T220-R276 PolarHBondContact OG1-NH1 3.45Å; T220-L277 HydrophobicContact CG2-CD1 4.17Å; T220-L277 HydrophobicContact CG2-CD2 3.59Å; T220-L277 HydrophobicContact CG2-CG 3.68Å; T220-F287 HydrophobicContact CG2-CE1 4.31Å; T220-F287 HydrophobicContact CG2-CZ 4.04Å |
| 221 | V | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.9 | 171.8 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | M83 N84 Y223 I243 H244 F245 | M83-V221 HydrophobicContact CE-CG1 4.5Å; M83-V221 HydrophobicContact CG-CB 4.3Å; M83-V221 HydrophobicContact CG-CG1 3.97Å; M83-V221 HydrophobicContact SD-CB 3.99Å; M83-V221 HydrophobicContact SD-CG1 4.02Å; N84-V221 PolarHBondContact ND2-O 3.49Å; N84-V221 PolarHBondContact OD1-N 3.01Å; V221-Y223 HydrophobicContact CG2-CE1 4.21Å; V221-Y223 HydrophobicContact CG2-CE2 4.14Å; V221-Y223 WeakPolarHBondContact CG2-OH 3.17Å; V221-I243 HydrophobicContact CG2-CG2 3.86Å; V221-H244 WeakPolarHBondContact CA-O 3.42Å; V221-F245 HydrophobicContact CB-CD1 3.89Å; V221-F245 HydrophobicContact CB-CE1 3.82Å; V221-F245 HydrophobicContact CG2-CD1 3.83Å; V221-F245 HydrophobicContact CG2-CE1 3.44Å; V221-F245 VanDerWaalsContact CG2-CE1 3.44Å; V221-F245 HydrophobicContact CG2-CZ 4.08Å |
| 222 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H244 L277 F280 F287 | A222-H244 PolarHBondContact N-O 3.36Å; A222-H244 PolarHBondContact O-N 3.43Å; A222-L277 HydrophobicContact CB-CD2 3.76Å; A222-F280 HydrophobicContact CB-CD1 3.7Å; A222-F280 HydrophobicContact CB-CD2 4.1Å; A222-F280 HydrophobicContact CB-CE1 3.55Å; A222-F280 HydrophobicContact CB-CE2 3.93Å; A222-F280 HydrophobicContact CB-CG 3.99Å; A222-F280 HydrophobicContact CB-CZ 3.67Å; A222-F287 HydrophobicContact CB-CE2 4.19Å; A222-F287 HydrophobicContact CB-CZ 3.65Å |
| 223 | Y | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | trans | -127.3 | 106.8 | -177.2 | -54.9 | -78.8 | 0 | 0 | 0 | 108.9 | R86 T87 D90 F93 V221 H225 I227 P240 I243 Y281 | R86-Y223 HydrophobicContact CB-CD2 4.45Å; R86-Y223 HydrophobicContact CB-CE2 4Å; R86-Y223 HydrophobicContact CG-CD2 4Å; R86-Y223 HydrophobicContact CG-CE2 4.01Å; T87-Y223 HydrophobicContact CG2-CD2 4.43Å; T87-Y223 HydrophobicContact CG2-CE2 3.94Å; D90-Y223 PolarHBondContact OD1-OH 3.25Å; F93-Y223 AromaticContact CD2-CE1 3.84Å; F93-Y223 HydrophobicContact CD2-CE1 3.84Å; F93-Y223 AromaticContact CD2-CZ 3.86Å; F93-Y223 VanDerWaalsContact CD2-OH 3.24Å; F93-Y223 WeakPolarHBondContact CD2-OH 3.41Å; F93-Y223 HydrophobicContact CE2-CE1 4.19Å; V221-Y223 HydrophobicContact CG2-CE1 4.21Å; V221-Y223 HydrophobicContact CG2-CE2 4.14Å; V221-Y223 WeakPolarHBondContact CG2-OH 3.17Å; Y223-H225 VanDerWaalsContact C-N 3.25Å; Y223-H225 PolarHBondContact O-N 2.95Å; Y223-I227 HydrophobicContact CD2-CG2 4.34Å; Y223-P240 HydrophobicContact CD1-CB 3.81Å; Y223-P240 HydrophobicContact CD1-CG 4.48Å; Y223-P240 HydrophobicContact CE1-CB 4.36Å; Y223-I243 HydrophobicContact CD1-CB 4.45Å; Y223-I243 HydrophobicContact CD1-CG1 4.09Å; Y223-I243 HydrophobicContact CD1-CG2 4.18Å; Y223-I243 HydrophobicContact CE1-CB 4.27Å; Y223-I243 HydrophobicContact CE1-CD1 4.24Å; Y223-I243 HydrophobicContact CE1-CG1 3.92Å; Y223-I243 HydrophobicContact CE1-CG2 3.66Å; Y223-Y281 PolarHBondContact N-OH 2.79Å; Y223-Y281 WeakPolarHBondContact O-CE1 3.47Å | ||
| 224 | P | 95.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.045 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -68.4 | -29.1 | -178.7 | 28 | -35.8 | 0 | 0 | 0 | 112.4 | E242 F280 K285 | P224-E242 WeakPolarHBondContact CD-O 3.49Å; P224-E242 HydrophobicContact CG-CB 3.68Å; P224-E242 HydrophobicContact CG-CG 4.27Å; P224-F280 HydrophobicContact CB-CE1 4.35Å; P224-F280 HydrophobicContact CB-CZ 4.13Å; P224-K285 HydrophobicContact CB-CB 3.74Å; P224-K285 HydrophobicContact CB-CD 4.05Å; P224-K285 WeakPolarHBondContact O-CD 3.24Å; P224-K285 PolarHBondContact O-NZ 3.19Å |
| 225 | H | 91.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 29 Ų | 29 | 37% | 0.37 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -140.5 | 135.5 | -176.3 | -50.6 | -66.6 | 0 | 0 | 0 | 109.8 | Y223 R241 | Y223-H225 VanDerWaalsContact C-N 3.25Å; Y223-H225 PolarHBondContact O-N 2.95Å; H225-R241 HydrophobicContact CB-CB 4.09Å; H225-R241 HydrophobicContact CB-CG 4.29Å |
| 226 | N | 91.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 32.7 Ų | 32.7 | 35% | 0.353 | 16% | 0.159 | S | C | . | . | trans | 58.4 | 105.7 | 174.3 | -59 | 69.9 | 0 | 0 | 0 | 112.7 | P228 D238 F239 | N226-P228 WeakPolarHBondContact O-CD 3.29Å; N226-D238 WeakPolarHBondContact CB-OD1 3.17Å; N226-D238 PolarHBondContact ND2-OD1 3.19Å; N226-F239 WeakPolarHBondContact CB-O 3.41Å | ||
| 227 | I | 93.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 34 Ų | 34 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | trans | -106.1 | 95.4 | -179.3 | -52.6 | -176 | 0 | 0 | 0 | 108.7 | R86 T87 Y223 Q229 Y281 | R86-I227 HydrophobicContact CG-CG2 4.09Å; T87-I227 HydrophobicContact CG2-CG2 3.49Å; T87-I227 VanDerWaalsContact CG2-CG2 3.49Å; Y223-I227 HydrophobicContact CD2-CG2 4.34Å; I227-Q229 PolarHBondContact O-N 3.2Å; I227-Y281 HydrophobicContact CD1-CE1 4.41Å | ||
| 228 | P | 92.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -76.4 | 87.9 | -176.7 | 34 | -40 | 0 | 0 | 0 | 110.8 | T87 F93 N226 S230 H233 L234 P240 | T87-P228 WeakPolarHBondContact CB-O 3.26Å; F93-P228 HydrophobicContact CE2-CG 3.66Å; F93-P228 HydrophobicContact CZ-CG 3.65Å; N226-P228 WeakPolarHBondContact O-CD 3.29Å; P228-S230 PolarHBondContact O-N 2.82Å; P228-H233 HydrophobicContact CB-CB 3.92Å; P228-L234 HydrophobicContact CB-CD2 3.84Å; P228-L234 HydrophobicContact CG-CD2 4.39Å; P228-P240 HydrophobicContact CG-CG 4.48Å | ||
| 229 | Q | 93.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -57.2 | -22.1 | -178.4 | -165.7 | 66 | 44 | 0 | 0 | 113.9 | R88 D168 L169 I227 H233 | R88-Q229 PolarHBondContact NE-O 2.93Å; D168-Q229 PolarHBondContact OD2-NE2 2.9Å; L169-Q229 PolarHBondContact O-NE2 3.04Å; L169-Q229 PolarHBondContact O-OE1 3.1Å; I227-Q229 PolarHBondContact O-N 3.2Å; Q229-H233 PolarHBondContact N-ND1 2.58Å | ||
| 230 | S | 93.1 | Very high | 94.3 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -159.6 | 151.9 | -155.7 | 144.2 | 0 | 0 | 0 | 0 | 110.7 | R88 P228 K232 H233 | R88-S230 PolarHBondContact NH2-OG 3.29Å; P228-S230 PolarHBondContact O-N 2.82Å; S230-K232 PolarHBondContact O-N 2.93Å; S230-K232 VanDerWaalsContact O-N 3.08Å; S230-K232 WeakPolarHBondContact OG-CB 3.19Å; S230-K232 PolarHBondContact OG-N 2.94Å; S230-K232 VanDerWaalsContact OG-N 3.11Å; S230-H233 PolarHBondContact N-ND1 3.2Å; S230-H233 WeakPolarHBondContact O-CB 3.27Å; S230-H233 PolarHBondContact O-N 3.09Å |
| 231 | E | 92.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.9 | -24.3 | 174.4 | -57.4 | 81.9 | 174.3 | 0 | 0 | 112.1 | R88 M89 H233 L234 L235 | R88-E231 IonicContact CZ-OE2 3.48Å; R88-E231 IonicContact NE-OE2 2.63Å; R88-E231 IonicContact NH1-OE2 3.49Å; R88-E231 PolarHBondContact NH1-OE2 3.24Å; R88-E231 IonicContact NH2-OE2 2.73Å; R88-E231 PolarHBondContact NH2-OE2 3.4Å; M89-E231 HydrophobicContact CE-CG 3.8Å; M89-E231 WeakPolarHBondContact CE-OE1 3.42Å; M89-E231 HydrophobicContact SD-CG 4.01Å; E231-H233 VanDerWaalsContact C-N 3.3Å; E231-H233 PolarHBondContact O-N 2.9Å; E231-L234 WeakPolarHBondContact O-CB 3.42Å; E231-L234 PolarHBondContact O-N 3.33Å; E231-L235 PolarHBondContact O-N 2.93Å |
| 232 | K | 93.4 | Very high | 94.1 | Very high | 133 Ų | 133 | 46.5 Ų | 46.5 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.4 | -38.1 | 173 | -173.8 | -178.2 | 177 | -176.3 | 0 | 111.8 | S230 L234 L235 Q236 | S230-K232 PolarHBondContact O-N 2.93Å; S230-K232 VanDerWaalsContact O-N 3.08Å; S230-K232 WeakPolarHBondContact OG-CB 3.19Å; S230-K232 PolarHBondContact OG-N 2.94Å; S230-K232 VanDerWaalsContact OG-N 3.11Å; K232-L234 VanDerWaalsContact C-N 3.34Å; K232-L235 PolarHBondContact O-N 3.39Å; K232-Q236 VanDerWaalsContact O-CG 3.24Å; K232-Q236 WeakPolarHBondContact O-CG 3.39Å; K232-Q236 PolarHBondContact O-N 2.95Å; K232-Q236 VanDerWaalsContact O-N 3.08Å |
| 233 | H | 94.1 | Very high | 94 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.2 | -64 | 114.8 | 0 | 0 | 0 | 110.3 | P228 Q229 S230 E231 L235 Q236 G237 D238 | P228-H233 HydrophobicContact CB-CB 3.92Å; Q229-H233 PolarHBondContact N-ND1 2.58Å; S230-H233 PolarHBondContact N-ND1 3.2Å; S230-H233 WeakPolarHBondContact O-CB 3.27Å; S230-H233 PolarHBondContact O-N 3.09Å; E231-H233 VanDerWaalsContact C-N 3.3Å; E231-H233 PolarHBondContact O-N 2.9Å; H233-L235 PolarHBondContact O-N 3.27Å; H233-Q236 CarbonylContact O-C 3.55Å; H233-Q236 WeakPolarHBondContact O-CA 3.29Å; H233-Q236 WeakPolarHBondContact O-CB 3.27Å; H233-Q236 PolarHBondContact O-N 2.98Å; H233-G237 PolarHBondContact O-N 3.4Å; H233-D238 CarbonylContact C-O 3.6Å; H233-D238 HydrophobicContact CB-CB 4.12Å; H233-D238 IonicContact CD2-OD2 3.75Å; H233-D238 WeakPolarHBondContact O-CB 3.39Å; H233-D238 PolarHBondContact O-N 3.16Å |
| 234 | L | 93.9 | Very high | 94 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.2 | -51.5 | -169.2 | 0 | 0 | 0 | 111.9 | G6 F9 I10 M89 M92 P228 E231 K232 Q236 G237 F239 | G6-L234 WeakPolarHBondContact CA-O 3.34Å; F9-L234 HydrophobicContact CE1-CD1 4.05Å; I10-L234 HydrophobicContact CD1-CB 4.12Å; M89-L234 HydrophobicContact CG-CD1 3.99Å; M89-L234 HydrophobicContact CG-CG 4.46Å; M89-L234 HydrophobicContact SD-CD1 3.58Å; M89-L234 VanDerWaalsContact SD-CD1 3.58Å; M89-L234 HydrophobicContact SD-CG 4.47Å; M92-L234 HydrophobicContact CE-CD1 4.01Å; P228-L234 HydrophobicContact CB-CD2 3.84Å; P228-L234 HydrophobicContact CG-CD2 4.39Å; E231-L234 WeakPolarHBondContact O-CB 3.42Å; E231-L234 PolarHBondContact O-N 3.33Å; K232-L234 VanDerWaalsContact C-N 3.34Å; L234-Q236 PolarHBondContact O-N 2.91Å; L234-G237 PolarHBondContact O-N 2.91Å; L234-F239 HydrophobicContact CB-CE1 4.23Å; L234-F239 HydrophobicContact CB-CE2 4.39Å; L234-F239 HydrophobicContact CB-CZ 3.87Å; L234-F239 HydrophobicContact CD1-CE1 4.42Å; L234-F239 HydrophobicContact CD2-CD1 3.79Å; L234-F239 HydrophobicContact CD2-CE1 3.67Å; L234-F239 HydrophobicContact CD2-CG 4.36Å; L234-F239 HydrophobicContact CD2-CZ 4.1Å; L234-F239 HydrophobicContact CG-CE1 4.31Å; L234-F239 HydrophobicContact CG-CZ 4.44Å; L234-F239 WeakPolarHBondContact O-CE2 3.36Å |
| 235 | L | 94.3 | Very high | 94.1 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.4 | -35.6 | 173.1 | -78.3 | 172.1 | 0 | 0 | 0 | 112.4 | A2 S3 I10 E231 K232 H233 G237 | A2-L235 CarbonylContact C-O 3.53Å; A2-L235 WeakPolarHBondContact CA-O 3.46Å; S3-L235 PolarHBondContact N-O 3.4Å; I10-L235 HydrophobicContact CB-CD2 4.34Å; I10-L235 HydrophobicContact CD1-CB 4.18Å; I10-L235 HydrophobicContact CD1-CD1 4.45Å; I10-L235 HydrophobicContact CD1-CD2 3.32Å; I10-L235 HydrophobicContact CD1-CG 3.32Å; I10-L235 HydrophobicContact CG1-CD2 4.36Å; I10-L235 HydrophobicContact CG2-CD2 4.49Å; E231-L235 PolarHBondContact O-N 2.93Å; K232-L235 PolarHBondContact O-N 3.39Å; H233-L235 PolarHBondContact O-N 3.27Å; L235-G237 PolarHBondContact O-N 3.16Å |
| 236 | Q | 94.7 | Very high | 94.4 | Very high | 78 Ų | 78 | 43 Ų | 43 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.7 | 177.7 | -69.1 | 170.8 | -15.8 | 0 | 0 | 112.7 | S3 K232 H233 L234 D238 | S3-Q236 VanDerWaalsContact CB-O 3.25Å; S3-Q236 WeakPolarHBondContact CB-O 3.36Å; K232-Q236 VanDerWaalsContact O-CG 3.24Å; K232-Q236 WeakPolarHBondContact O-CG 3.39Å; K232-Q236 PolarHBondContact O-N 2.95Å; K232-Q236 VanDerWaalsContact O-N 3.08Å; H233-Q236 CarbonylContact O-C 3.55Å; H233-Q236 WeakPolarHBondContact O-CA 3.29Å; H233-Q236 WeakPolarHBondContact O-CB 3.27Å; H233-Q236 PolarHBondContact O-N 2.98Å; L234-Q236 PolarHBondContact O-N 2.91Å; Q236-D238 VanDerWaalsContact C-N 3.26Å |
| 237 | G | 92.8 | Very high | 94.6 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 14 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H233 L234 L235 F239 | H233-G237 PolarHBondContact O-N 3.4Å; L234-G237 PolarHBondContact O-N 2.91Å; L235-G237 PolarHBondContact O-N 3.16Å; G237-F239 PolarHBondContact O-N 3.23Å |
| 238 | D | 93.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | trans | -87.5 | 91.1 | 176.8 | -173.6 | 25.1 | 0 | 0 | 0 | 109.3 | N226 H233 Q236 | N226-D238 WeakPolarHBondContact CB-OD1 3.17Å; N226-D238 PolarHBondContact ND2-OD1 3.19Å; H233-D238 CarbonylContact C-O 3.6Å; H233-D238 HydrophobicContact CB-CB 4.12Å; H233-D238 IonicContact CD2-OD2 3.75Å; H233-D238 WeakPolarHBondContact O-CB 3.39Å; H233-D238 PolarHBondContact O-N 3.16Å; Q236-D238 VanDerWaalsContact C-N 3.26Å | ||
| 239 | F | 94.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | trans | -108.9 | 152.9 | 179.8 | -74.8 | -94.9 | 0 | 0 | 0 | 109.9 | F9 L58 F62 N226 L234 G237 R241 | F9-F239 HydrophobicContact CB-CZ 4.05Å; F9-F239 AromaticContact CD1-CE1 3.87Å; F9-F239 HydrophobicContact CD1-CE1 3.87Å; F9-F239 AromaticContact CD1-CZ 3.64Å; F9-F239 HydrophobicContact CD1-CZ 3.64Å; F9-F239 HydrophobicContact CD2-CE1 4.12Å; F9-F239 HydrophobicContact CD2-CZ 4.14Å; F9-F239 AromaticContact CE1-CE1 3.8Å; F9-F239 HydrophobicContact CE1-CE1 3.8Å; F9-F239 HydrophobicContact CE1-CZ 4.08Å; F9-F239 HydrophobicContact CE2-CE1 4.05Å; F9-F239 HydrophobicContact CG-CE1 4.02Å; F9-F239 AromaticContact CG-CZ 3.68Å; F9-F239 HydrophobicContact CG-CZ 3.68Å; F9-F239 AromaticContact CZ-CE1 3.89Å; F9-F239 HydrophobicContact CZ-CE1 3.89Å; F9-F239 HydrophobicContact CZ-CZ 4.48Å; L58-F239 HydrophobicContact CD2-CD1 3.46Å; L58-F239 VanDerWaalsContact CD2-CD1 3.46Å; L58-F239 HydrophobicContact CD2-CE1 3.71Å; F62-F239 HydrophobicContact CB-CB 4.22Å; F62-F239 HydrophobicContact CB-CG 4.3Å; F62-F239 HydrophobicContact CD1-CB 4.21Å; F62-F239 AromaticContact CD1-CD2 3.29Å; F62-F239 HydrophobicContact CD1-CD2 3.29Å; F62-F239 AromaticContact CD1-CE2 3.72Å; F62-F239 HydrophobicContact CD1-CE2 3.72Å; F62-F239 AromaticContact CD1-CG 3.76Å; F62-F239 HydrophobicContact CD1-CG 3.76Å; F62-F239 HydrophobicContact CD1-CZ 4.45Å; F62-F239 HydrophobicContact CD2-CD1 4.28Å; F62-F239 HydrophobicContact CD2-CD2 4.3Å; F62-F239 HydrophobicContact CD2-CE1 4.22Å; F62-F239 HydrophobicContact CD2-CE2 4.29Å; F62-F239 HydrophobicContact CD2-CG 4.31Å; F62-F239 HydrophobicContact CD2-CZ 4.23Å; F62-F239 AromaticContact CE1-CD2 3.26Å; F62-F239 HydrophobicContact CE1-CD2 3.26Å; F62-F239 AromaticContact CE1-CE2 3.17Å; F62-F239 HydrophobicContact CE1-CE2 3.17Å; F62-F239 HydrophobicContact CE1-CG 4.12Å; F62-F239 AromaticContact CE1-CZ 3.96Å; F62-F239 HydrophobicContact CE1-CZ 3.96Å; F62-F239 HydrophobicContact CE2-CD2 4.29Å; F62-F239 HydrophobicContact CE2-CE1 4.11Å; F62-F239 AromaticContact CE2-CE2 3.84Å; F62-F239 HydrophobicContact CE2-CE2 3.84Å; F62-F239 AromaticContact CE2-CZ 3.73Å; F62-F239 HydrophobicContact CE2-CZ 3.73Å; F62-F239 HydrophobicContact CG-CB 4.27Å; F62-F239 HydrophobicContact CG-CD1 4.24Å; F62-F239 AromaticContact CG-CD2 3.84Å; F62-F239 HydrophobicContact CG-CD2 3.84Å; F62-F239 HydrophobicContact CG-CE2 4.23Å; F62-F239 AromaticContact CG-CG 3.85Å; F62-F239 HydrophobicContact CG-CG 3.85Å; F62-F239 AromaticContact CZ-CD2 3.79Å; F62-F239 HydrophobicContact CZ-CD2 3.79Å; F62-F239 HydrophobicContact CZ-CE1 4.34Å; F62-F239 AromaticContact CZ-CE2 3.24Å; F62-F239 HydrophobicContact CZ-CE2 3.24Å; F62-F239 AromaticContact CZ-CZ 3.56Å; F62-F239 HydrophobicContact CZ-CZ 3.56Å; N226-F239 WeakPolarHBondContact CB-O 3.41Å; L234-F239 HydrophobicContact CB-CE1 4.23Å; L234-F239 HydrophobicContact CB-CE2 4.39Å; L234-F239 HydrophobicContact CB-CZ 3.87Å; L234-F239 HydrophobicContact CD1-CE1 4.42Å; L234-F239 HydrophobicContact CD2-CD1 3.79Å; L234-F239 HydrophobicContact CD2-CE1 3.67Å; L234-F239 HydrophobicContact CD2-CG 4.36Å; L234-F239 HydrophobicContact CD2-CZ 4.1Å; L234-F239 HydrophobicContact CG-CE1 4.31Å; L234-F239 HydrophobicContact CG-CZ 4.44Å; L234-F239 WeakPolarHBondContact O-CE2 3.36Å; G237-F239 PolarHBondContact O-N 3.23Å; F239-R241 PolarHBondContact O-N 2.86Å | ||
| 240 | P | 95.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | trans | -65.8 | 130.5 | 176.9 | 29.4 | -29.8 | 0 | 0 | 0 | 108.3 | V64 F93 Y223 P228 E242 I243 | V64-P240 HydrophobicContact CG1-CG 4.37Å; V64-P240 WeakPolarHBondContact CG2-O 3.25Å; F93-P240 HydrophobicContact CE1-CG 4.1Å; F93-P240 HydrophobicContact CE2-CG 4.27Å; F93-P240 HydrophobicContact CZ-CG 3.9Å; Y223-P240 HydrophobicContact CD1-CB 3.81Å; Y223-P240 HydrophobicContact CD1-CG 4.48Å; Y223-P240 HydrophobicContact CE1-CB 4.36Å; P228-P240 HydrophobicContact CG-CG 4.48Å; P240-E242 VanDerWaalsContact C-N 3.31Å; P240-I243 HydrophobicContact CB-CD1 4.44Å; P240-I243 HydrophobicContact CB-CG1 3.94Å; P240-I243 HydrophobicContact CG-CD1 3.7Å; P240-I243 HydrophobicContact CG-CG1 3.75Å | ||
| 241 | R | 95 | Very high | 95.3 | Very high | 167 Ų | 167 | 43.4 Ų | 43.4 | 63% | 0.63 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -70.8 | -36 | 175.8 | -65 | -174.7 | 174.9 | -169.9 | -1.8 | 111.1 | K65 H225 F239 | K65-R241 PolarHBondContact N-O 3.08Å; H225-R241 HydrophobicContact CB-CB 4.09Å; H225-R241 HydrophobicContact CB-CG 4.29Å; F239-R241 PolarHBondContact O-N 2.86Å |
| 242 | E | 96.3 | Very high | 95.4 | Very high | 42 Ų | 42 | 41 Ų | 41 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.3 | 175.1 | -44.4 | -171.5 | 166.4 | 0 | 0 | 110 | K65 P224 P240 H244 | K65-E242 HydrophobicContact CB-CB 4.43Å; K65-E242 HydrophobicContact CB-CG 4.16Å; K65-E242 CarbonylContact O-C 3.55Å; K65-E242 WeakPolarHBondContact O-CA 3.47Å; P224-E242 WeakPolarHBondContact CD-O 3.49Å; P224-E242 HydrophobicContact CG-CB 3.68Å; P224-E242 HydrophobicContact CG-CG 4.27Å; P240-E242 VanDerWaalsContact C-N 3.31Å; E242-H244 IonicContact OE2-CD2 3.96Å; E242-H244 IonicContact OE2-CE1 3.67Å; E242-H244 IonicContact OE2-NE2 2.71Å; E242-H244 PolarHBondContact OE2-NE2 3.28Å |
| 243 | I | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 119.8 | 174.1 | -49.8 | -179 | 0 | 0 | 0 | 106.9 | V64 K65 V66 I67 F93 V221 Y223 P240 F245 | V64-I243 HydrophobicContact CG1-CD1 3.7Å; V64-I243 HydrophobicContact CG1-CG1 3.72Å; K65-I243 PolarHBondContact O-N 3.46Å; V66-I243 WeakPolarHBondContact CA-O 3.45Å; I67-I243 PolarHBondContact N-O 2.89Å; F93-I243 HydrophobicContact CB-CD1 3.74Å; F93-I243 HydrophobicContact CD1-CD1 3.72Å; F93-I243 HydrophobicContact CD2-CD1 4.29Å; F93-I243 HydrophobicContact CE1-CD1 4.41Å; F93-I243 HydrophobicContact CG-CD1 3.65Å; V221-I243 HydrophobicContact CG2-CG2 3.86Å; Y223-I243 HydrophobicContact CD1-CB 4.45Å; Y223-I243 HydrophobicContact CD1-CG1 4.09Å; Y223-I243 HydrophobicContact CD1-CG2 4.18Å; Y223-I243 HydrophobicContact CE1-CB 4.27Å; Y223-I243 HydrophobicContact CE1-CD1 4.24Å; Y223-I243 HydrophobicContact CE1-CG1 3.92Å; Y223-I243 HydrophobicContact CE1-CG2 3.66Å; P240-I243 HydrophobicContact CB-CD1 4.44Å; P240-I243 HydrophobicContact CB-CG1 3.94Å; P240-I243 HydrophobicContact CG-CD1 3.7Å; P240-I243 HydrophobicContact CG-CG1 3.75Å; I243-F245 HydrophobicContact CB-CE2 4.21Å; I243-F245 HydrophobicContact CG2-CD2 4.12Å; I243-F245 HydrophobicContact CG2-CE1 4.18Å; I243-F245 HydrophobicContact CG2-CE2 3.42Å; I243-F245 VanDerWaalsContact CG2-CE2 3.42Å; I243-F245 HydrophobicContact CG2-CZ 3.46Å; I243-F245 VanDerWaalsContact CG2-CZ 3.46Å |
| 244 | H | 97.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.7 | -179.3 | -71.2 | -130.2 | 0 | 0 | 0 | 108.4 | I67 V221 A222 E242 F280 K285 F287 | I67-H244 VanDerWaalsContact CD1-CE1 3.5Å; I67-H244 WeakPolarHBondContact CD1-CE1 3.48Å; I67-H244 WeakPolarHBondContact CD1-NE2 3.46Å; I67-H244 CarbonylContact O-C 3.54Å; I67-H244 WeakPolarHBondContact O-CA 3.4Å; V221-H244 WeakPolarHBondContact CA-O 3.42Å; A222-H244 PolarHBondContact N-O 3.36Å; A222-H244 PolarHBondContact O-N 3.43Å; E242-H244 IonicContact OE2-CD2 3.96Å; E242-H244 IonicContact OE2-CE1 3.67Å; E242-H244 IonicContact OE2-NE2 2.71Å; E242-H244 PolarHBondContact OE2-NE2 3.28Å; H244-F280 HydrophobicContact CB-CE2 3.89Å; H244-F280 HydrophobicContact CB-CZ 4.13Å; H244-F280 AromaticContact CG-CE2 3.87Å; H244-F280 AromaticContact CG-CZ 4Å; H244-F280 AromaticContact ND1-CE2 3.71Å; H244-K285 PolarHBondContact CE1-O 3.3Å; H244-F287 HydrophobicContact CB-CD2 3.92Å; H244-F287 HydrophobicContact CB-CE2 3.63Å |
| 245 | F | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130 | 171.2 | -61.7 | -79.1 | 0 | 0 | 0 | 109.2 | V66 I67 I68 T69 M83 F93 L94 C97 I219 T220 V221 I243 | V66-F245 HydrophobicContact CG1-CD2 3.86Å; V66-F245 HydrophobicContact CG1-CE2 3.87Å; I67-F245 PolarHBondContact O-N 3.13Å; I68-F245 WeakPolarHBondContact CA-O 3.38Å; I68-F245 HydrophobicContact CD1-CD2 4.46Å; I68-F245 HydrophobicContact CG1-CB 4.29Å; I68-F245 HydrophobicContact CG1-CD2 4.22Å; I68-F245 HydrophobicContact CG2-CB 4.35Å; T69-F245 PolarHBondContact N-O 3.45Å; T69-F245 PolarHBondContact OG1-O 3.35Å; M83-F245 HydrophobicContact SD-CD1 4.35Å; M83-F245 HydrophobicContact SD-CE1 4Å; F93-F245 HydrophobicContact CB-CZ 4.48Å; L94-F245 HydrophobicContact CD1-CE1 4.17Å; C97-F245 HydrophobicContact CB-CD2 3.98Å; C97-F245 HydrophobicContact CB-CE2 4.01Å; C97-F245 HydrophobicContact CB-CG 4.44Å; C97-F245 HydrophobicContact CB-CZ 4.5Å; I219-F245 HydrophobicContact CG2-CB 4.28Å; I219-F245 HydrophobicContact CG2-CD1 3.71Å; I219-F245 HydrophobicContact CG2-CG 4.46Å; T220-F245 CarbonylContact O-C 3.59Å; T220-F245 WeakPolarHBondContact O-CA 3.43Å; V221-F245 HydrophobicContact CB-CD1 3.89Å; V221-F245 HydrophobicContact CB-CE1 3.82Å; V221-F245 HydrophobicContact CG2-CD1 3.83Å; V221-F245 HydrophobicContact CG2-CE1 3.44Å; V221-F245 VanDerWaalsContact CG2-CE1 3.44Å; V221-F245 HydrophobicContact CG2-CZ 4.08Å; I243-F245 HydrophobicContact CB-CE2 4.21Å; I243-F245 HydrophobicContact CG2-CD2 4.12Å; I243-F245 HydrophobicContact CG2-CE1 4.18Å; I243-F245 HydrophobicContact CG2-CE2 3.42Å; I243-F245 VanDerWaalsContact CG2-CE2 3.42Å; I243-F245 HydrophobicContact CG2-CZ 3.46Å; I243-F245 VanDerWaalsContact CG2-CZ 3.46Å |
| 246 | H | 97 | Very high | 95.9 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.1 | 166.2 | -173.1 | 75.5 | 0 | 0 | 0 | 108.4 | T69 I219 T220 R276 F287 T290 | T69-H246 WeakPolarHBondContact O-CA 3.34Å; T69-H246 PolarHBondContact OG1-ND1 3.22Å; I219-H246 CarbonylContact C-O 3.51Å; I219-H246 WeakPolarHBondContact CA-O 3.26Å; T220-H246 PolarHBondContact N-O 2.74Å; T220-H246 PolarHBondContact O-N 3.19Å; H246-R276 PolarHBondContact CD2-NE 3.01Å; H246-R276 VanDerWaalsContact CD2-NE 3.25Å; H246-F287 HydrophobicContact CB-CB 4.41Å; H246-F287 HydrophobicContact CB-CD1 4.17Å; H246-F287 HydrophobicContact CB-CD2 3.66Å; H246-F287 HydrophobicContact CB-CE1 4.34Å; H246-F287 HydrophobicContact CB-CE2 3.81Å; H246-F287 HydrophobicContact CB-CG 3.84Å; H246-F287 HydrophobicContact CB-CZ 4.16Å; H246-T290 PolarHBondContact CE1-OG1 2.96Å |
| 247 | V | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.3 | -172.8 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | I68 T69 G70 D71 F73 I219 | I68-V247 HydrophobicContact CG2-CG2 4Å; T69-V247 PolarHBondContact O-N 3.13Å; G70-V247 CarbonylContact C-O 3.49Å; G70-V247 VanDerWaalsContact CA-O 3.25Å; G70-V247 WeakPolarHBondContact CA-O 3.31Å; D71-V247 PolarHBondContact N-O 2.83Å; F73-V247 HydrophobicContact CD2-CG1 4.49Å; F73-V247 HydrophobicContact CE2-CG1 3.99Å; F73-V247 HydrophobicContact CE2-CG2 3.81Å; F73-V247 HydrophobicContact CZ-CG1 4.2Å; F73-V247 HydrophobicContact CZ-CG2 4.34Å; I219-V247 HydrophobicContact CG1-CG1 4.42Å; I219-V247 HydrophobicContact CG1-CG2 4.29Å |
| 248 | H | 95.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.8 | 166.7 | -162.9 | 88.7 | 0 | 0 | 0 | 109.5 | D71 D218 Y250 | D71-H248 VanDerWaalsContact OD2-CA 3.29Å; D71-H248 WeakPolarHBondContact OD2-CA 3.17Å; D71-H248 IonicContact OD2-CD2 3.24Å; D71-H248 IonicContact OD2-CE1 3.85Å; D71-H248 IonicContact OD2-CG 3.77Å; D71-H248 IonicContact OD2-ND1 2.59Å; D71-H248 PolarHBondContact OD2-ND1 3.2Å; D71-H248 IonicContact OD2-NE2 2.89Å; D218-H248 HydrophobicContact CB-CB 4.46Å; D218-H248 PolarHBondContact N-O 3.14Å; D218-H248 PolarHBondContact O-N 2.67Å; H248-Y250 HydrophobicContact CB-CE2 4.11Å; H248-Y250 AromaticContact CD2-CD1 3.93Å; H248-Y250 AromaticContact CD2-CD2 3.67Å; H248-Y250 AromaticContact CD2-CE1 3.46Å; H248-Y250 VanDerWaalsContact CD2-CE1 3.46Å; H248-Y250 WeakPolarHBondContact CD2-CE1 3.19Å; H248-Y250 AromaticContact CD2-CE2 3.19Å; H248-Y250 WeakPolarHBondContact CD2-CE2 3.38Å; H248-Y250 AromaticContact CD2-CZ 3.06Å; H248-Y250 PolarHBondContact CD2-OH 3.42Å; H248-Y250 AromaticContact CG-CE2 3.93Å; H248-Y250 AromaticContact CG-CZ 3.95Å; H248-Y250 AromaticContact NE2-CE1 3.57Å; H248-Y250 AromaticContact NE2-CZ 3.59Å |
| 249 | R | 96 | Very high | 96.1 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.1 | -177.3 | -177.2 | -179.4 | 166.9 | -76.6 | -2.9 | 109.9 | D71 E77 A215 P251 | D71-R249 HydrophobicContact CB-CB 3.94Å; D71-R249 PolarHBondContact OD2-N 3.37Å; E77-R249 IonicContact OE1-CZ 2.77Å; E77-R249 VanDerWaalsContact OE1-CZ 3.27Å; E77-R249 IonicContact OE1-NE 3.58Å; E77-R249 PolarHBondContact OE1-NE 3.46Å; E77-R249 VanDerWaalsContact OE1-NE 3.14Å; E77-R249 IonicContact OE1-NH2 2.67Å; E77-R249 PolarHBondContact OE1-NH2 3.47Å; E77-R249 IonicContact OE2-CZ 2.82Å; E77-R249 IonicContact OE2-NE 3.64Å; E77-R249 PolarHBondContact OE2-NE 3.29Å; E77-R249 IonicContact OE2-NH2 3.81Å; A215-R249 HydrophobicContact CB-CG 4Å; R249-P251 WeakPolarHBondContact O-CD 3.37Å |
| 250 | Y | 97.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 107.5 | 174.6 | -64.2 | -85.6 | 0 | 0 | 0 | 110 | A215 I216 D218 H248 L255 W265 R269 | A215-Y250 CarbonylContact C-O 3.49Å; A215-Y250 WeakPolarHBondContact CA-O 3.42Å; A215-Y250 WeakPolarHBondContact CB-O 3.23Å; I216-Y250 PolarHBondContact N-O 2.81Å; I216-Y250 PolarHBondContact O-N 3.21Å; D218-Y250 HydrophobicContact CB-CD2 4.15Å; D218-Y250 HydrophobicContact CB-CE2 3.78Å; H248-Y250 HydrophobicContact CB-CE2 4.11Å; H248-Y250 AromaticContact CD2-CD1 3.93Å; H248-Y250 AromaticContact CD2-CD2 3.67Å; H248-Y250 AromaticContact CD2-CE1 3.46Å; H248-Y250 VanDerWaalsContact CD2-CE1 3.46Å; H248-Y250 WeakPolarHBondContact CD2-CE1 3.19Å; H248-Y250 AromaticContact CD2-CE2 3.19Å; H248-Y250 WeakPolarHBondContact CD2-CE2 3.38Å; H248-Y250 AromaticContact CD2-CZ 3.06Å; H248-Y250 PolarHBondContact CD2-OH 3.42Å; H248-Y250 AromaticContact CG-CE2 3.93Å; H248-Y250 AromaticContact CG-CZ 3.95Å; H248-Y250 AromaticContact NE2-CE1 3.57Å; H248-Y250 AromaticContact NE2-CZ 3.59Å; Y250-L255 HydrophobicContact CG-CD2 4.5Å; Y250-W265 HydrophobicContact CD1-CZ2 4.01Å; Y250-W265 HydrophobicContact CD2-CH2 4.02Å; Y250-W265 AromaticContact CD2-CZ2 3.53Å; Y250-W265 HydrophobicContact CD2-CZ2 3.53Å; Y250-W265 HydrophobicContact CE1-CZ2 4.23Å; Y250-W265 HydrophobicContact CE2-CH2 4.26Å; Y250-W265 AromaticContact CE2-CZ2 3.75Å; Y250-W265 HydrophobicContact CE2-CZ2 3.75Å; Y250-W265 HydrophobicContact CG-CH2 4.47Å; Y250-W265 AromaticContact CG-CZ2 3.65Å; Y250-W265 HydrophobicContact CG-CZ2 3.65Å; Y250-R269 VanDerWaalsContact OH-CD 3.31Å; Y250-R269 WeakPolarHBondContact OH-CD 3.5Å; Y250-R269 PolarHBondContact OH-NE 3.42Å |
| 251 | P | 97.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 26% | 0.26 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 148.3 | 172.2 | -15.5 | 23.7 | 0 | 0 | 0 | 111.5 | R249 D253 T254 | R249-P251 WeakPolarHBondContact O-CD 3.37Å; P251-D253 PolarHBondContact O-N 3.35Å; P251-D253 VanDerWaalsContact O-N 3.13Å; P251-T254 HydrophobicContact CB-CG2 4.21Å; P251-T254 HydrophobicContact CG-CG2 4.05Å; P251-T254 PolarHBondContact O-N 2.83Å; P251-T254 PolarHBondContact O-OG1 3.42Å |
| 252 | I | 96.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -55.5 | -34.8 | -178.1 | -170.9 | 55.9 | 0 | 0 | 0 | 113.3 | R208 L213 D214 T254 L255 | R208-I252 HydrophobicContact CB-CD1 4.35Å; R208-I252 HydrophobicContact CG-CD1 4.17Å; R208-I252 HydrophobicContact CG-CG1 4.3Å; R208-I252 VanDerWaalsContact NE-CD1 3.34Å; L213-I252 HydrophobicContact CD2-CD1 3.62Å; L213-I252 HydrophobicContact CG-CD1 3.92Å; D214-I252 WeakPolarHBondContact O-CB 3.45Å; D214-I252 PolarHBondContact O-N 3.23Å; I252-T254 PolarHBondContact O-N 3.1Å; I252-L255 HydrophobicContact CD1-CD1 3.84Å; I252-L255 WeakPolarHBondContact O-CB 3.43Å; I252-L255 PolarHBondContact O-N 2.99Å |
| 253 | D | 95.8 | Very high | 96.6 | Very high | 153 Ų | 153 | 48.9 Ų | 48.9 | 82% | 0.818 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69.5 | -16.2 | -179.4 | -57 | -34.2 | 0 | 0 | 0 | 113.6 | P251 | P251-D253 PolarHBondContact O-N 3.35Å; P251-D253 VanDerWaalsContact O-N 3.13Å |
| 254 | T | 96.6 | Very high | 96.6 | Very high | 85 Ų | 85 | 54.6 Ų | 54.6 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -94.4 | -8.3 | 177.4 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | P251 I252 | P251-T254 HydrophobicContact CB-CG2 4.21Å; P251-T254 HydrophobicContact CG-CG2 4.05Å; P251-T254 PolarHBondContact O-N 2.83Å; P251-T254 PolarHBondContact O-OG1 3.42Å; I252-T254 PolarHBondContact O-N 3.1Å |
| 255 | L | 96.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -84.6 | 145.5 | -177.2 | -64 | 175.1 | 0 | 0 | 0 | 111.2 | I216 Y250 I252 W265 | I216-L255 HydrophobicContact CB-CD1 4.34Å; I216-L255 HydrophobicContact CD1-CD1 3.33Å; I216-L255 HydrophobicContact CD1-CD2 4.01Å; I216-L255 HydrophobicContact CD1-CG 4.33Å; I216-L255 HydrophobicContact CG1-CD1 3.61Å; Y250-L255 HydrophobicContact CG-CD2 4.5Å; I252-L255 HydrophobicContact CD1-CD1 3.84Å; I252-L255 WeakPolarHBondContact O-CB 3.43Å; I252-L255 PolarHBondContact O-N 2.99Å; L255-W265 HydrophobicContact CD2-CD2 4.3Å; L255-W265 HydrophobicContact CD2-CH2 4.19Å; L255-W265 HydrophobicContact CD2-CZ2 3.55Å |
| 256 | P | 96.9 | Very high | 96.8 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | trans | -58.2 | 145 | 173.2 | -20.9 | 31.4 | 0 | 0 | 0 | 112.3 | R208 D261 W265 | R208-P256 PolarHBondContact NH1-O 3.13Å; R208-P256 PolarHBondContact NH2-O 3.11Å; P256-D261 HydrophobicContact CB-CB 3.49Å; P256-D261 VanDerWaalsContact CB-CB 3.49Å; P256-D261 HydrophobicContact CG-CB 4.13Å; P256-W265 HydrophobicContact CG-CB 4.02Å; P256-W265 HydrophobicContact CG-CG 4.27Å | ||
| 257 | T | 94.1 | Very high | 96.8 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -89.1 | -34.5 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 258 | S | 95.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 63.2 Ų | 63.2 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -75 | 146.5 | 176.7 | 87.9 | 0 | 0 | 0 | 0 | 110.8 | E260 D261 L262 | S258-E260 VanDerWaalsContact C-N 3.33Å; S258-E260 PolarHBondContact O-N 3.42Å; S258-D261 PolarHBondContact O-N 3.15Å; S258-D261 WeakPolarHBondContact OG-CB 3.42Å; S258-D261 PolarHBondContact OG-N 3.03Å; S258-D261 VanDerWaalsContact OG-N 3.09Å; S258-D261 PolarHBondContact OG-OD2 3.22Å; S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 PolarHBondContact O-N 3.39Å |
| 259 | K | 95.6 | Very high | 97 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 179.2 | -178.5 | 177.9 | -178.5 | 174.8 | 0 | 111.1 | T201 L262 Q263 | T201-K259 HydrophobicContact CG2-CG 4.47Å; K259-L262 PolarHBondContact O-N 3.12Å; K259-Q263 WeakPolarHBondContact O-CG 3.41Å; K259-Q263 PolarHBondContact O-N 3.23Å |
| 260 | E | 96.9 | Very high | 97.2 | Very high | 124 Ų | 124 | 58.3 Ų | 58.3 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | -178.7 | -67.6 | 65.7 | -143 | 0 | 0 | 111.1 | S258 L262 Q263 L264 | S258-E260 VanDerWaalsContact C-N 3.33Å; S258-E260 PolarHBondContact O-N 3.42Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.25Å; E260-Q263 WeakPolarHBondContact O-CB 3.39Å; E260-Q263 PolarHBondContact O-N 2.9Å; E260-L264 PolarHBondContact O-N 3.27Å |
| 261 | D | 97.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 60.5 Ų | 60.5 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -34.3 | 177.9 | -64.1 | -37.8 | 0 | 0 | 0 | 111.5 | P256 S258 Q263 L264 W265 | P256-D261 HydrophobicContact CB-CB 3.49Å; P256-D261 VanDerWaalsContact CB-CB 3.49Å; P256-D261 HydrophobicContact CG-CB 4.13Å; S258-D261 PolarHBondContact O-N 3.15Å; S258-D261 WeakPolarHBondContact OG-CB 3.42Å; S258-D261 PolarHBondContact OG-N 3.03Å; S258-D261 VanDerWaalsContact OG-N 3.09Å; S258-D261 PolarHBondContact OG-OD2 3.22Å; D261-Q263 VanDerWaalsContact C-N 3.34Å; D261-L264 PolarHBondContact O-N 3.44Å; D261-W265 VanDerWaalsContact O-CB 3.28Å; D261-W265 WeakPolarHBondContact O-CB 3.46Å; D261-W265 PolarHBondContact O-N 2.84Å |
| 262 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.7 | -33 | 175.5 | -170.7 | 64.1 | 0 | 0 | 0 | 112.1 | F200 T201 V204 S258 K259 E260 W265 C266 | F200-L262 HydrophobicContact CE1-CD1 4.01Å; F200-L262 HydrophobicContact CE1-CD2 4.35Å; F200-L262 HydrophobicContact CE1-CG 3.83Å; F200-L262 HydrophobicContact CZ-CD1 4.2Å; F200-L262 HydrophobicContact CZ-CG 4.44Å; T201-L262 HydrophobicContact CG2-CB 4.05Å; T201-L262 HydrophobicContact CG2-CD2 3.95Å; T201-L262 HydrophobicContact CG2-CG 3.93Å; V204-L262 HydrophobicContact CB-CD2 3.76Å; V204-L262 HydrophobicContact CG1-CD1 4.45Å; V204-L262 HydrophobicContact CG1-CD2 3.55Å; V204-L262 HydrophobicContact CG2-CD2 4.45Å; S258-L262 WeakPolarHBondContact O-CB 3.48Å; S258-L262 PolarHBondContact O-N 3.39Å; K259-L262 PolarHBondContact O-N 3.12Å; E260-L262 VanDerWaalsContact C-N 3.31Å; E260-L262 PolarHBondContact O-N 3.25Å; L262-W265 HydrophobicContact CD1-CE3 4.32Å; L262-C266 PolarHBondContact O-N 3.45Å |
| 263 | Q | 97.9 | Very high | 97.4 | Very high | 58 Ų | 58 | 59.4 Ų | 59.4 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 170.1 | -66.2 | 175.2 | 15.4 | 0 | 0 | 110.8 | T197 T201 K259 E260 D261 W265 C266 H267 | T197-Q263 HydrophobicContact CG2-CB 4.34Å; T197-Q263 WeakPolarHBondContact OG1-CG 3.33Å; T201-Q263 HydrophobicContact CG2-CB 4.46Å; T201-Q263 HydrophobicContact CG2-CG 3.56Å; K259-Q263 WeakPolarHBondContact O-CG 3.41Å; K259-Q263 PolarHBondContact O-N 3.23Å; E260-Q263 WeakPolarHBondContact O-CB 3.39Å; E260-Q263 PolarHBondContact O-N 2.9Å; D261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-W265 VanDerWaalsContact C-N 3.3Å; Q263-W265 PolarHBondContact O-N 2.95Å; Q263-C266 WeakPolarHBondContact O-CB 3.45Å; Q263-C266 PolarHBondContact O-N 2.89Å; Q263-C266 VanDerWaalsContact O-N 3.15Å; Q263-H267 PolarHBondContact O-CD2 3.23Å; Q263-H267 PolarHBondContact O-N 2.74Å |
| 264 | L | 97.9 | Very high | 97.5 | Very high | 119 Ų | 119 | 52.3 Ų | 52.3 | 62% | 0.623 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 178.1 | -177.7 | 62.3 | 0 | 0 | 0 | 111.5 | E260 D261 C266 H267 K268 | E260-L264 PolarHBondContact O-N 3.27Å; D261-L264 PolarHBondContact O-N 3.44Å; L264-C266 VanDerWaalsContact C-N 3.33Å; L264-C266 PolarHBondContact O-N 2.88Å; L264-H267 PolarHBondContact O-N 3.07Å; L264-K268 PolarHBondContact O-N 3.47Å |
| 265 | W | 98.3 | Very high | 97.5 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.8 | -46.1 | 173.4 | 179.7 | 101.2 | 0 | 0 | 0 | 111.3 | I82 F200 I216 Y250 L255 P256 D261 L262 Q263 H267 K268 R269 | I82-W265 HydrophobicContact CD1-CH2 3.84Å; I82-W265 HydrophobicContact CD1-CZ3 3.71Å; F200-W265 HydrophobicContact CE1-CE3 4.05Å; F200-W265 HydrophobicContact CE1-CZ3 4.15Å; F200-W265 HydrophobicContact CE2-CZ3 4.34Å; F200-W265 AromaticContact CZ-CE3 3.84Å; F200-W265 HydrophobicContact CZ-CE3 3.84Å; F200-W265 AromaticContact CZ-CZ3 3.51Å; F200-W265 HydrophobicContact CZ-CZ3 3.51Å; I216-W265 HydrophobicContact CB-CH2 4.39Å; I216-W265 HydrophobicContact CD1-CH2 4.17Å; I216-W265 HydrophobicContact CD1-CZ3 4.23Å; I216-W265 HydrophobicContact CG2-CH2 3.87Å; I216-W265 HydrophobicContact CG2-CZ3 4.47Å; Y250-W265 HydrophobicContact CD1-CZ2 4.01Å; Y250-W265 HydrophobicContact CD2-CH2 4.02Å; Y250-W265 AromaticContact CD2-CZ2 3.53Å; Y250-W265 HydrophobicContact CD2-CZ2 3.53Å; Y250-W265 HydrophobicContact CE1-CZ2 4.23Å; Y250-W265 HydrophobicContact CE2-CH2 4.26Å; Y250-W265 AromaticContact CE2-CZ2 3.75Å; Y250-W265 HydrophobicContact CE2-CZ2 3.75Å; Y250-W265 HydrophobicContact CG-CH2 4.47Å; Y250-W265 AromaticContact CG-CZ2 3.65Å; Y250-W265 HydrophobicContact CG-CZ2 3.65Å; L255-W265 HydrophobicContact CD2-CD2 4.3Å; L255-W265 HydrophobicContact CD2-CH2 4.19Å; L255-W265 HydrophobicContact CD2-CZ2 3.55Å; P256-W265 HydrophobicContact CG-CB 4.02Å; P256-W265 HydrophobicContact CG-CG 4.27Å; D261-W265 VanDerWaalsContact O-CB 3.28Å; D261-W265 WeakPolarHBondContact O-CB 3.46Å; D261-W265 PolarHBondContact O-N 2.84Å; L262-W265 HydrophobicContact CD1-CE3 4.32Å; Q263-W265 VanDerWaalsContact C-N 3.3Å; Q263-W265 PolarHBondContact O-N 2.95Å; W265-H267 PolarHBondContact O-N 2.91Å; W265-K268 PolarHBondContact O-N 3.19Å; W265-R269 HydrophobicContact CD2-CG 4.21Å; W265-R269 HydrophobicContact CE3-CG 4.02Å; W265-R269 HydrophobicContact CH2-CG 3.72Å; W265-R269 HydrophobicContact CZ2-CG 3.95Å; W265-R269 HydrophobicContact CZ3-CG 3.77Å; W265-R269 WeakPolarHBondContact O-CG 3.39Å; W265-R269 PolarHBondContact O-N 2.89Å |
| 266 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 177.2 | -172.6 | 0 | 0 | 0 | 0 | 111.9 | T197 F200 L262 Q263 L264 K268 R269 W270 | T197-C266 HydrophobicContact CG2-CB 3.8Å; F200-C266 HydrophobicContact CD1-CB 3.78Å; F200-C266 HydrophobicContact CE1-CB 3.68Å; L262-C266 PolarHBondContact O-N 3.45Å; Q263-C266 WeakPolarHBondContact O-CB 3.45Å; Q263-C266 PolarHBondContact O-N 2.89Å; Q263-C266 VanDerWaalsContact O-N 3.15Å; L264-C266 VanDerWaalsContact C-N 3.33Å; L264-C266 PolarHBondContact O-N 2.88Å; C266-K268 VanDerWaalsContact C-N 3.34Å; C266-K268 PolarHBondContact O-N 2.84Å; C266-R269 PolarHBondContact O-N 3.26Å; C266-W270 PolarHBondContact O-N 3Å |
| 267 | H | 98 | Very high | 97.7 | Very high | 56 Ų | 56 | 53.3 Ų | 53.3 | 26% | 0.259 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.5 | -77.2 | -64.4 | 0 | 0 | 0 | 111.8 | Q263 L264 W265 R269 W270 E271 | Q263-H267 PolarHBondContact O-CD2 3.23Å; Q263-H267 PolarHBondContact O-N 2.74Å; L264-H267 PolarHBondContact O-N 3.07Å; W265-H267 PolarHBondContact O-N 2.91Å; H267-R269 PolarHBondContact O-N 3.29Å; H267-W270 PolarHBondContact O-N 2.97Å; H267-W270 VanDerWaalsContact O-N 3.1Å; H267-E271 PolarHBondContact O-N 3.44Å; H267-E271 VanDerWaalsContact O-N 3.08Å |
| 268 | K | 98.2 | Very high | 97.8 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 176.7 | -173 | 174.9 | 178.3 | 176.6 | 0 | 112.6 | L264 W265 C266 W270 E271 E272 | L264-K268 PolarHBondContact O-N 3.47Å; W265-K268 PolarHBondContact O-N 3.19Å; C266-K268 VanDerWaalsContact C-N 3.34Å; C266-K268 PolarHBondContact O-N 2.84Å; K268-W270 VanDerWaalsContact C-N 3.25Å; K268-W270 PolarHBondContact O-N 2.73Å; K268-E271 WeakPolarHBondContact O-CB 3.46Å; K268-E271 PolarHBondContact O-N 2.94Å; K268-E272 WeakPolarHBondContact CE-OE1 3.35Å; K268-E272 WeakPolarHBondContact O-CG 3.42Å; K268-E272 PolarHBondContact O-N 2.84Å |
| 269 | R | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 6% | 0.06 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -37.9 | 173.4 | -65.3 | -57.8 | 83.4 | 79.1 | -8.2 | 112.1 | D218 Y250 W265 C266 H267 E272 K273 | D218-R269 WeakPolarHBondContact OD2-CD 3.37Å; Y250-R269 VanDerWaalsContact OH-CD 3.31Å; Y250-R269 WeakPolarHBondContact OH-CD 3.5Å; Y250-R269 PolarHBondContact OH-NE 3.42Å; W265-R269 HydrophobicContact CD2-CG 4.21Å; W265-R269 HydrophobicContact CE3-CG 4.02Å; W265-R269 HydrophobicContact CH2-CG 3.72Å; W265-R269 HydrophobicContact CZ2-CG 3.95Å; W265-R269 HydrophobicContact CZ3-CG 3.77Å; W265-R269 WeakPolarHBondContact O-CG 3.39Å; W265-R269 PolarHBondContact O-N 2.89Å; C266-R269 PolarHBondContact O-N 3.26Å; H267-R269 PolarHBondContact O-N 3.29Å; R269-E272 IonicContact CZ-OE1 2.69Å; R269-E272 IonicContact CZ-OE2 3.54Å; R269-E272 IonicContact NE-OE1 3.44Å; R269-E272 IonicContact NE-OE2 3.66Å; R269-E272 PolarHBondContact NE-OE2 3.4Å; R269-E272 IonicContact NH2-OE1 3.47Å; R269-E272 PolarHBondContact NH2-OE1 3.47Å; R269-E272 IonicContact NH2-OE2 3.52Å; R269-E272 PolarHBondContact NH2-OE2 3.47Å; R269-E272 PolarHBondContact O-N 3.43Å; R269-K273 VanDerWaalsContact O-CG 3.27Å; R269-K273 WeakPolarHBondContact O-CG 3.37Å; R269-K273 PolarHBondContact O-N 2.92Å |
| 270 | W | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72 | -35.5 | 178.1 | -103 | -102.5 | 0 | 0 | 0 | 113.5 | I82 P164 E165 Y189 L193 P195 C266 H267 K268 K273 E274 | I82-W270 HydrophobicContact CB-CH2 4.2Å; I82-W270 HydrophobicContact CB-CZ3 4.46Å; I82-W270 HydrophobicContact CD1-CZ3 4.16Å; P164-W270 HydrophobicContact CB-CH2 3.6Å; P164-W270 HydrophobicContact CB-CZ2 3.81Å; P164-W270 HydrophobicContact CB-CZ3 4.02Å; P164-W270 HydrophobicContact CG-CH2 3.26Å; P164-W270 HydrophobicContact CG-CZ2 3.91Å; P164-W270 HydrophobicContact CG-CZ3 3.75Å; E165-W270 HydrophobicContact CG-CZ2 4.07Å; E165-W270 PolarHBondContact OE1-NE1 2.98Å; Y189-W270 HydrophobicContact CE2-CB 4.5Å; L193-W270 PolarHBondContact O-NE1 2.92Å; P195-W270 HydrophobicContact CB-CD2 3.69Å; P195-W270 HydrophobicContact CB-CE3 3.96Å; P195-W270 HydrophobicContact CB-CG 3.96Å; P195-W270 HydrophobicContact CG-CB 3.83Å; P195-W270 HydrophobicContact CG-CD2 3.82Å; P195-W270 HydrophobicContact CG-CE3 4.11Å; P195-W270 HydrophobicContact CG-CG 3.66Å; C266-W270 PolarHBondContact O-N 3Å; H267-W270 PolarHBondContact O-N 2.97Å; H267-W270 VanDerWaalsContact O-N 3.1Å; K268-W270 VanDerWaalsContact C-N 3.25Å; K268-W270 PolarHBondContact O-N 2.73Å; W270-K273 PolarHBondContact O-N 3.41Å; W270-E274 PolarHBondContact O-N 3.13Å |
| 271 | E | 98.3 | Very high | 98 | Very high | 76 Ų | 76 | 45 Ų | 45 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60 | -48.7 | 170.2 | -178.2 | 170.9 | -143.6 | 0 | 0 | 111.1 | Q187 Y189 H267 K268 K273 E274 E275 | Q187-E271 PolarHBondContact NE2-OE1 2.97Å; Y189-E271 WeakPolarHBondContact OH-CA 3.43Å; Y189-E271 WeakPolarHBondContact OH-CB 3.4Å; H267-E271 PolarHBondContact O-N 3.44Å; H267-E271 VanDerWaalsContact O-N 3.08Å; K268-E271 WeakPolarHBondContact O-CB 3.46Å; K268-E271 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 3Å; E271-E274 WeakPolarHBondContact O-CB 3.5Å; E271-E274 PolarHBondContact O-N 3.39Å; E271-E274 VanDerWaalsContact O-N 3.15Å; E271-E275 PolarHBondContact O-N 2.96Å; E271-E275 VanDerWaalsContact O-N 3.09Å |
| 272 | E | 98.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -36 | 176.3 | -69.3 | 167.2 | -171.3 | 0 | 0 | 112.2 | K268 R269 R276 | K268-E272 WeakPolarHBondContact CE-OE1 3.35Å; K268-E272 WeakPolarHBondContact O-CG 3.42Å; K268-E272 PolarHBondContact O-N 2.84Å; R269-E272 IonicContact CZ-OE1 2.69Å; R269-E272 IonicContact CZ-OE2 3.54Å; R269-E272 IonicContact NE-OE1 3.44Å; R269-E272 IonicContact NE-OE2 3.66Å; R269-E272 PolarHBondContact NE-OE2 3.4Å; R269-E272 IonicContact NH2-OE1 3.47Å; R269-E272 PolarHBondContact NH2-OE1 3.47Å; R269-E272 IonicContact NH2-OE2 3.52Å; R269-E272 PolarHBondContact NH2-OE2 3.47Å; R269-E272 PolarHBondContact O-N 3.43Å; E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 PolarHBondContact O-N 3.49Å |
| 273 | K | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 173.9 | -75.2 | -175.8 | -164.1 | -153 | 0 | 112.5 | I82 N84 V192 D218 I219 R269 W270 E271 R276 L277 | I82-K273 PolarHBondContact O-NZ 3.49Å; N84-K273 HydrophobicContact CB-CD 4.12Å; V192-K273 HydrophobicContact CG1-CB 4.17Å; D218-K273 WeakPolarHBondContact OD1-CE 3.24Å; D218-K273 IonicContact OD1-NZ 3.29Å; D218-K273 PolarHBondContact OD1-NZ 3.34Å; I219-K273 PolarHBondContact O-NZ 3.08Å; R269-K273 VanDerWaalsContact O-CG 3.27Å; R269-K273 WeakPolarHBondContact O-CG 3.37Å; R269-K273 PolarHBondContact O-N 2.92Å; W270-K273 PolarHBondContact O-N 3.41Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 3Å; K273-R276 PolarHBondContact O-N 3.07Å; K273-L277 VanDerWaalsContact O-CB 3.31Å; K273-L277 WeakPolarHBondContact O-CB 3.48Å; K273-L277 VanDerWaalsContact O-CG 3.24Å; K273-L277 WeakPolarHBondContact O-CG 3.23Å; K273-L277 PolarHBondContact O-N 2.6Å |
| 274 | E | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 176.3 | 171.5 | 65.4 | -168.9 | 0 | 0 | 110.6 | Y189 E190 Y191 V192 W270 E271 L277 R278 | Y189-E274 HydrophobicContact CD1-CB 3.83Å; Y189-E274 HydrophobicContact CD1-CG 3.53Å; Y189-E274 HydrophobicContact CE1-CB 4.03Å; Y189-E274 HydrophobicContact CE1-CG 4.05Å; Y189-E274 HydrophobicContact CG-CB 4.29Å; Y189-E274 HydrophobicContact CG-CG 4.18Å; E190-E274 WeakPolarHBondContact CB-OE1 3.31Å; E190-E274 VanDerWaalsContact N-CD 3.33Å; E190-E274 PolarHBondContact N-OE1 3.23Å; E190-E274 PolarHBondContact N-OE2 2.92Å; Y191-E274 WeakPolarHBondContact CA-OE2 3.43Å; Y191-E274 PolarHBondContact N-OE2 3.05Å; V192-E274 HydrophobicContact CG2-CB 4Å; V192-E274 PolarHBondContact N-OE2 3.09Å; W270-E274 PolarHBondContact O-N 3.13Å; E271-E274 WeakPolarHBondContact O-CB 3.5Å; E271-E274 PolarHBondContact O-N 3.39Å; E271-E274 VanDerWaalsContact O-N 3.15Å; E274-L277 PolarHBondContact O-N 2.91Å; E274-R278 VanDerWaalsContact O-CB 3.28Å; E274-R278 WeakPolarHBondContact O-CB 3.31Å; E274-R278 PolarHBondContact O-N 3.42Å; E274-R278 IonicContact OE1-CZ 3.66Å; E274-R278 IonicContact OE1-NE 2.92Å; E274-R278 IonicContact OE1-NH2 3.82Å; E274-R278 PolarHBondContact OE1-NH2 2.96Å |
| 275 | E | 97.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 53 Ų | 53 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 178.2 | -67.8 | -177.1 | 166.7 | 0 | 0 | 111.6 | E271 L277 R278 S279 | E271-E275 PolarHBondContact O-N 2.96Å; E271-E275 VanDerWaalsContact O-N 3.09Å; E275-L277 VanDerWaalsContact C-N 3.35Å; E275-L277 PolarHBondContact O-N 3.28Å; E275-R278 WeakPolarHBondContact O-CB 3.19Å; E275-R278 PolarHBondContact O-N 3.04Å; E275-S279 PolarHBondContact O-N 3.25Å; E275-S279 PolarHBondContact O-OG 3.4Å |
| 276 | R | 97.7 | Very high | 97.1 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 178.4 | -170.1 | -173.6 | -63.8 | 105.2 | 7.2 | 111.7 | T220 H246 E272 K273 F280 F287 F289 T290 | T220-R276 PolarHBondContact OG1-NH1 3.45Å; H246-R276 PolarHBondContact CD2-NE 3.01Å; H246-R276 VanDerWaalsContact CD2-NE 3.25Å; E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 PolarHBondContact O-N 3.49Å; K273-R276 PolarHBondContact O-N 3.07Å; R276-F280 WeakPolarHBondContact O-CB 3.35Å; R276-F280 PolarHBondContact O-N 3.36Å; R276-F287 HydrophobicContact CG-CD1 3.9Å; R276-F287 HydrophobicContact CG-CE1 3.77Å; R276-F289 HydrophobicContact CG-CE2 4.17Å; R276-F289 HydrophobicContact CG-CZ 3.77Å; R276-F289 WeakPolarHBondContact O-CZ 3.32Å; R276-T290 HydrophobicContact CG-CG2 4.49Å |
| 277 | L | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70 | -35.3 | 177.9 | -71.6 | 168.5 | 0 | 0 | 0 | 111.7 | Y191 V192 T220 A222 K273 E274 E275 F280 Y281 | Y191-L277 HydrophobicContact CD2-CB 4.36Å; Y191-L277 HydrophobicContact CG-CB 3.94Å; V192-L277 HydrophobicContact CG1-CD1 3.57Å; T220-L277 HydrophobicContact CG2-CD1 4.17Å; T220-L277 HydrophobicContact CG2-CD2 3.59Å; T220-L277 HydrophobicContact CG2-CG 3.68Å; A222-L277 HydrophobicContact CB-CD2 3.76Å; K273-L277 VanDerWaalsContact O-CB 3.31Å; K273-L277 WeakPolarHBondContact O-CB 3.48Å; K273-L277 VanDerWaalsContact O-CG 3.24Å; K273-L277 WeakPolarHBondContact O-CG 3.23Å; K273-L277 PolarHBondContact O-N 2.6Å; E274-L277 PolarHBondContact O-N 2.91Å; E275-L277 VanDerWaalsContact C-N 3.35Å; E275-L277 PolarHBondContact O-N 3.28Å; L277-F280 WeakPolarHBondContact O-CB 3.34Å; L277-F280 PolarHBondContact O-N 2.83Å; L277-Y281 HydrophobicContact CB-CD2 4.31Å; L277-Y281 HydrophobicContact CB-CE2 4.42Å; L277-Y281 HydrophobicContact CD2-CE2 4.03Å; L277-Y281 WeakPolarHBondContact O-CB 3.45Å; L277-Y281 WeakPolarHBondContact O-CD2 3.35Å; L277-Y281 PolarHBondContact O-N 3.36Å |
| 278 | R | 97.9 | Very high | 96.3 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -51.8 | 172.3 | -176.3 | -178.6 | -58.6 | -97.3 | -6.7 | 111.2 | Y191 E274 E275 F280 Y281 Q282 | Y191-R278 HydrophobicContact CD2-CB 3.96Å; Y191-R278 HydrophobicContact CE2-CB 3.6Å; Y191-R278 HydrophobicContact CE2-CG 3.94Å; E274-R278 VanDerWaalsContact O-CB 3.28Å; E274-R278 WeakPolarHBondContact O-CB 3.31Å; E274-R278 PolarHBondContact O-N 3.42Å; E274-R278 IonicContact OE1-CZ 3.66Å; E274-R278 IonicContact OE1-NE 2.92Å; E274-R278 IonicContact OE1-NH2 3.82Å; E274-R278 PolarHBondContact OE1-NH2 2.96Å; E275-R278 WeakPolarHBondContact O-CB 3.19Å; E275-R278 PolarHBondContact O-N 3.04Å; R278-F280 VanDerWaalsContact C-N 3.3Å; R278-F280 PolarHBondContact O-N 2.82Å; R278-Y281 PolarHBondContact O-N 2.99Å; R278-Q282 HydrophobicContact CG-CG 4.43Å; R278-Q282 VanDerWaalsContact O-CB 3.26Å; R278-Q282 WeakPolarHBondContact O-CB 3.2Å; R278-Q282 VanDerWaalsContact O-CG 3.28Å; R278-Q282 WeakPolarHBondContact O-CG 3.48Å; R278-Q282 PolarHBondContact O-N 3.34Å |
| 279 | S | 97.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 175.2 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | E275 G283 | E275-S279 PolarHBondContact O-N 3.25Å; E275-S279 PolarHBondContact O-OG 3.4Å; S279-G283 WeakPolarHBondContact O-CA 3.29Å; S279-G283 PolarHBondContact O-N 2.82Å |
| 280 | F | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -52.6 | 176.4 | -176.5 | -83.6 | 0 | 0 | 0 | 111.9 | A222 P224 H244 R276 L277 R278 K285 F287 F289 | A222-F280 HydrophobicContact CB-CD1 3.7Å; A222-F280 HydrophobicContact CB-CD2 4.1Å; A222-F280 HydrophobicContact CB-CE1 3.55Å; A222-F280 HydrophobicContact CB-CE2 3.93Å; A222-F280 HydrophobicContact CB-CG 3.99Å; A222-F280 HydrophobicContact CB-CZ 3.67Å; P224-F280 HydrophobicContact CB-CE1 4.35Å; P224-F280 HydrophobicContact CB-CZ 4.13Å; H244-F280 HydrophobicContact CB-CE2 3.89Å; H244-F280 HydrophobicContact CB-CZ 4.13Å; H244-F280 AromaticContact CG-CE2 3.87Å; H244-F280 AromaticContact CG-CZ 4Å; H244-F280 AromaticContact ND1-CE2 3.71Å; R276-F280 WeakPolarHBondContact O-CB 3.35Å; R276-F280 PolarHBondContact O-N 3.36Å; L277-F280 WeakPolarHBondContact O-CB 3.34Å; L277-F280 PolarHBondContact O-N 2.83Å; R278-F280 VanDerWaalsContact C-N 3.3Å; R278-F280 PolarHBondContact O-N 2.82Å; F280-K285 HydrophobicContact CD1-CB 4.39Å; F280-K285 HydrophobicContact CE1-CB 3.9Å; F280-K285 HydrophobicContact CE1-CG 4.49Å; F280-K285 VanDerWaalsContact CE2-O 3.24Å; F280-K285 WeakPolarHBondContact CE2-O 3.37Å; F280-K285 VanDerWaalsContact CZ-C 3.46Å; F280-K285 HydrophobicContact CZ-CB 4.05Å; F280-K285 WeakPolarHBondContact CZ-O 3.45Å; F280-K285 WeakPolarHBondContact O-CA 3.29Å; F280-K285 PolarHBondContact O-N 3.13Å; F280-K285 VanDerWaalsContact O-N 3.16Å; F280-F287 HydrophobicContact CB-CE1 4.06Å; F280-F287 AromaticContact CD2-CD1 3.75Å; F280-F287 HydrophobicContact CD2-CD1 3.75Å; F280-F287 HydrophobicContact CD2-CD2 4.3Å; F280-F287 AromaticContact CD2-CE1 3.55Å; F280-F287 HydrophobicContact CD2-CE1 3.55Å; F280-F287 HydrophobicContact CD2-CE2 4.16Å; F280-F287 HydrophobicContact CD2-CG 4.12Å; F280-F287 AromaticContact CD2-CZ 3.79Å; F280-F287 HydrophobicContact CD2-CZ 3.79Å; F280-F287 HydrophobicContact CE2-CD2 4.29Å; F280-F287 HydrophobicContact CE2-CE1 4.33Å; F280-F287 HydrophobicContact CE2-CE2 4.14Å; F280-F287 HydrophobicContact CE2-CG 4.49Å; F280-F287 HydrophobicContact CE2-CZ 4.16Å; F280-F287 HydrophobicContact CG-CE1 4.08Å; F280-F287 HydrophobicContact CG-CZ 4.41Å; F280-F289 HydrophobicContact CB-CE1 4.34Å |
| 281 | Y | 97.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.5 | -25.1 | -173.7 | -76 | -64.6 | 0 | 0 | 0 | 114 | Y191 Y223 I227 L277 R278 | Y191-Y281 AromaticContact CD1-CD2 3.39Å; Y191-Y281 HydrophobicContact CD1-CD2 3.39Å; Y191-Y281 AromaticContact CD1-CE2 3.93Å; Y191-Y281 HydrophobicContact CD1-CE2 3.93Å; Y191-Y281 HydrophobicContact CD1-CG 4.21Å; Y191-Y281 AromaticContact CE1-CD2 3.5Å; Y191-Y281 HydrophobicContact CE1-CD2 3.5Å; Y191-Y281 HydrophobicContact CE1-CE2 4.4Å; Y191-Y281 AromaticContact CE1-CG 3.85Å; Y191-Y281 HydrophobicContact CE1-CG 3.85Å; Y191-Y281 HydrophobicContact CG-CD2 4.23Å; Y223-Y281 PolarHBondContact N-OH 2.79Å; Y223-Y281 WeakPolarHBondContact O-CE1 3.47Å; I227-Y281 HydrophobicContact CD1-CE1 4.41Å; L277-Y281 HydrophobicContact CB-CD2 4.31Å; L277-Y281 HydrophobicContact CB-CE2 4.42Å; L277-Y281 HydrophobicContact CD2-CE2 4.03Å; L277-Y281 WeakPolarHBondContact O-CB 3.45Å; L277-Y281 WeakPolarHBondContact O-CD2 3.35Å; L277-Y281 PolarHBondContact O-N 3.36Å; R278-Y281 PolarHBondContact O-N 2.99Å |
| 282 | Q | 96.4 | Very high | 93.3 | Very high | 134 Ų | 134 | 59.7 Ų | 59.7 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -90.1 | -22.5 | 176.1 | -64 | -180 | -4.7 | 0 | 0 | 113.2 | R278 | R278-Q282 HydrophobicContact CG-CG 4.43Å; R278-Q282 VanDerWaalsContact O-CB 3.26Å; R278-Q282 WeakPolarHBondContact O-CB 3.2Å; R278-Q282 VanDerWaalsContact O-CG 3.28Å; R278-Q282 WeakPolarHBondContact O-CG 3.48Å; R278-Q282 PolarHBondContact O-N 3.34Å |
| 283 | G | 94.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -144.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S279 K285 | S279-G283 WeakPolarHBondContact O-CA 3.29Å; S279-G283 PolarHBondContact O-N 2.82Å; G283-K285 PolarHBondContact O-N 2.91Å |
| 284 | E | 92.3 | Very high | 91.5 | Very high | 167 Ų | 167 | 65.3 Ų | 65.3 | 78% | 0.78 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 4.8 | -175.3 | -62.7 | -176 | 167.1 | 0 | 0 | 114.7 | N286 | E284-N286 VanDerWaalsContact C-N 3.32Å; E284-N286 WeakPolarHBondContact CB-ND2 3.38Å; E284-N286 PolarHBondContact O-N 2.73Å; E284-N286 PolarHBondContact OE2-ND2 3.34Å; E284-N286 VanDerWaalsContact OE2-ND2 3.09Å |
| 285 | K | 93.9 | Very high | 90.7 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 35% | 0.352 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 56.8 | 43.2 | -178.7 | -52.7 | 179.2 | 170.5 | -173.7 | 0 | 114 | P224 H244 F280 G283 | P224-K285 HydrophobicContact CB-CB 3.74Å; P224-K285 HydrophobicContact CB-CD 4.05Å; P224-K285 WeakPolarHBondContact O-CD 3.24Å; P224-K285 PolarHBondContact O-NZ 3.19Å; H244-K285 PolarHBondContact CE1-O 3.3Å; F280-K285 HydrophobicContact CD1-CB 4.39Å; F280-K285 HydrophobicContact CE1-CB 3.9Å; F280-K285 HydrophobicContact CE1-CG 4.49Å; F280-K285 VanDerWaalsContact CE2-O 3.24Å; F280-K285 WeakPolarHBondContact CE2-O 3.37Å; F280-K285 VanDerWaalsContact CZ-C 3.46Å; F280-K285 HydrophobicContact CZ-CB 4.05Å; F280-K285 WeakPolarHBondContact CZ-O 3.45Å; F280-K285 WeakPolarHBondContact O-CA 3.29Å; F280-K285 PolarHBondContact O-N 3.13Å; F280-K285 VanDerWaalsContact O-N 3.16Å; G283-K285 PolarHBondContact O-N 2.91Å |
| 286 | N | 92.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -138.7 | 165.7 | 169.2 | 65.8 | 64.2 | 0 | 0 | 0 | 108.8 | E284 Y288 F289 | E284-N286 VanDerWaalsContact C-N 3.32Å; E284-N286 WeakPolarHBondContact CB-ND2 3.38Å; E284-N286 PolarHBondContact O-N 2.73Å; E284-N286 PolarHBondContact OE2-ND2 3.34Å; E284-N286 VanDerWaalsContact OE2-ND2 3.09Å; N286-Y288 HydrophobicContact CB-CD2 3.83Å; N286-Y288 HydrophobicContact CB-CE2 4.01Å; N286-Y288 HydrophobicContact CB-CG 4.37Å; N286-Y288 VanDerWaalsContact OD1-CB 3.25Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.25Å; N286-Y288 WeakPolarHBondContact OD1-CD2 3.45Å; N286-Y288 PolarHBondContact OD1-N 2.68Å; N286-F289 WeakPolarHBondContact O-CD1 3.48Å; N286-F289 WeakPolarHBondContact O-CE1 3.14Å |
| 287 | F | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -95.1 | 12.2 | 177.1 | -67.7 | -59.5 | 0 | 0 | 0 | 113.7 | T69 T220 A222 H244 H246 R276 F280 F289 T290 | T69-F287 HydrophobicContact CG2-CB 4.36Å; T69-F287 WeakPolarHBondContact OG1-CB 3.41Å; T220-F287 HydrophobicContact CG2-CE1 4.31Å; T220-F287 HydrophobicContact CG2-CZ 4.04Å; A222-F287 HydrophobicContact CB-CE2 4.19Å; A222-F287 HydrophobicContact CB-CZ 3.65Å; H244-F287 HydrophobicContact CB-CD2 3.92Å; H244-F287 HydrophobicContact CB-CE2 3.63Å; H246-F287 HydrophobicContact CB-CB 4.41Å; H246-F287 HydrophobicContact CB-CD1 4.17Å; H246-F287 HydrophobicContact CB-CD2 3.66Å; H246-F287 HydrophobicContact CB-CE1 4.34Å; H246-F287 HydrophobicContact CB-CE2 3.81Å; H246-F287 HydrophobicContact CB-CG 3.84Å; H246-F287 HydrophobicContact CB-CZ 4.16Å; R276-F287 HydrophobicContact CG-CD1 3.9Å; R276-F287 HydrophobicContact CG-CE1 3.77Å; F280-F287 HydrophobicContact CB-CE1 4.06Å; F280-F287 AromaticContact CD2-CD1 3.75Å; F280-F287 HydrophobicContact CD2-CD1 3.75Å; F280-F287 HydrophobicContact CD2-CD2 4.3Å; F280-F287 AromaticContact CD2-CE1 3.55Å; F280-F287 HydrophobicContact CD2-CE1 3.55Å; F280-F287 HydrophobicContact CD2-CE2 4.16Å; F280-F287 HydrophobicContact CD2-CG 4.12Å; F280-F287 AromaticContact CD2-CZ 3.79Å; F280-F287 HydrophobicContact CD2-CZ 3.79Å; F280-F287 HydrophobicContact CE2-CD2 4.29Å; F280-F287 HydrophobicContact CE2-CE1 4.33Å; F280-F287 HydrophobicContact CE2-CE2 4.14Å; F280-F287 HydrophobicContact CE2-CG 4.49Å; F280-F287 HydrophobicContact CE2-CZ 4.16Å; F280-F287 HydrophobicContact CG-CE1 4.08Å; F280-F287 HydrophobicContact CG-CZ 4.41Å; F287-F289 HydrophobicContact CD1-CE1 4.01Å; F287-F289 HydrophobicContact CD1-CZ 4.02Å; F287-F289 PolarHBondContact O-N 2.73Å; F287-T290 HydrophobicContact CB-CG2 4.5Å; F287-T290 WeakPolarHBondContact O-CB 3.38Å; F287-T290 WeakPolarHBondContact O-CG2 3.19Å; F287-T290 PolarHBondContact O-N 2.74Å; F287-T290 PolarHBondContact O-OG1 2.91Å |
| 288 | Y | 87.3 | Confident | 88.6 | Confident | 122 Ų | 122 | 68.7 Ų | 68.7 | 48% | 0.478 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -65.9 | -22.6 | -176.2 | -57 | -42.2 | 0 | 0 | 0 | 113.3 | T69 N286 T290 G291 V294 | T69-Y288 HydrophobicContact CG2-CE1 4.38Å; N286-Y288 HydrophobicContact CB-CD2 3.83Å; N286-Y288 HydrophobicContact CB-CE2 4.01Å; N286-Y288 HydrophobicContact CB-CG 4.37Å; N286-Y288 VanDerWaalsContact OD1-CB 3.25Å; N286-Y288 WeakPolarHBondContact OD1-CB 3.25Å; N286-Y288 WeakPolarHBondContact OD1-CD2 3.45Å; N286-Y288 PolarHBondContact OD1-N 2.68Å; Y288-T290 PolarHBondContact O-N 2.66Å; Y288-T290 VanDerWaalsContact O-N 3.1Å; Y288-G291 PolarHBondContact O-N 2.81Å; Y288-V294 HydrophobicContact CE1-CG2 3.89Å |
| 289 | F | 86.2 | Confident | 88.2 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -60.2 | -17.7 | 172.4 | 68.4 | -96.5 | 0 | 0 | 0 | 113.6 | R276 F280 N286 F287 G291 | R276-F289 HydrophobicContact CG-CE2 4.17Å; R276-F289 HydrophobicContact CG-CZ 3.77Å; R276-F289 WeakPolarHBondContact O-CZ 3.32Å; F280-F289 HydrophobicContact CB-CE1 4.34Å; N286-F289 WeakPolarHBondContact O-CD1 3.48Å; N286-F289 WeakPolarHBondContact O-CE1 3.14Å; F287-F289 HydrophobicContact CD1-CE1 4.01Å; F287-F289 HydrophobicContact CD1-CZ 4.02Å; F287-F289 PolarHBondContact O-N 2.73Å; F289-G291 PolarHBondContact O-N 3.25Å |
| 290 | T | 83.4 | Confident | 88 | Confident | 45 Ų | 45 | 66 Ų | 66 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -74.3 | -7.9 | 175.1 | 64.6 | 0 | 0 | 0 | 0 | 113 | H246 R276 F287 Y288 Q292 | H246-T290 PolarHBondContact CE1-OG1 2.96Å; R276-T290 HydrophobicContact CG-CG2 4.49Å; F287-T290 HydrophobicContact CB-CG2 4.5Å; F287-T290 WeakPolarHBondContact O-CB 3.38Å; F287-T290 WeakPolarHBondContact O-CG2 3.19Å; F287-T290 PolarHBondContact O-N 2.74Å; F287-T290 PolarHBondContact O-OG1 2.91Å; Y288-T290 PolarHBondContact O-N 2.66Å; Y288-T290 VanDerWaalsContact O-N 3.1Å; T290-Q292 PolarHBondContact O-N 2.96Å; T290-Q292 VanDerWaalsContact O-N 3.17Å; T290-Q292 PolarHBondContact OG1-N 3.44Å |
| 291 | G | 79.2 | Confident | 87.6 | Confident | 75 Ų | 75 | 71 Ų | 71 | 77% | 0.773 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 71.5 | -1.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y288 F289 | Y288-G291 PolarHBondContact O-N 2.81Å; F289-G291 PolarHBondContact O-N 3.25Å |
| 292 | Q | 80.5 | Confident | 87.5 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -88.7 | 132.8 | 179.9 | -69 | -100.7 | -11.1 | 0 | 0 | 110.7 | G70 T290 | G70-Q292 PolarHBondContact O-OE1 2.89Å; T290-Q292 PolarHBondContact O-N 2.96Å; T290-Q292 VanDerWaalsContact O-N 3.17Å; T290-Q292 PolarHBondContact OG1-N 3.44Å |
| 293 | S | 79.3 | Confident | 87.4 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 62% | 0.622 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 164.1 | -179.5 | 56 | 0 | 0 | 0 | 0 | 112.8 | G70 I295 | G70-S293 PolarHBondContact N-O 3.19Å; S293-I295 PolarHBondContact O-N 3.47Å |
| 294 | V | 81.4 | Confident | 87.5 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 130.1 | 164.9 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | I68 T69 Y288 | I68-V294 WeakPolarHBondContact O-CA 3.3Å; T69-V294 HydrophobicContact CG2-CG2 4.37Å; Y288-V294 HydrophobicContact CE1-CG2 3.89Å |
| 295 | I | 80.3 | Confident | 87.6 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 138.5 | -177.9 | -55 | 155.4 | 0 | 0 | 0 | 108.8 | I68 G70 D71 A72 Y101 S293 | I68-I295 HydrophobicContact CG2-CD1 4.01Å; I68-I295 PolarHBondContact O-N 3.27Å; G70-I295 WeakPolarHBondContact O-CD1 3.11Å; G70-I295 WeakPolarHBondContact O-CG1 3.5Å; D71-I295 WeakPolarHBondContact O-CD1 3.45Å; A72-I295 HydrophobicContact CB-CG2 3.7Å; Y101-I295 HydrophobicContact CD1-CG2 4.28Å; Y101-I295 HydrophobicContact CE1-CB 3.9Å; Y101-I295 HydrophobicContact CE1-CG2 3.71Å; Y101-I295 PolarHBondContact OH-O 3.14Å; S293-I295 PolarHBondContact O-N 3.47Å |
| 296 | P | 79.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 69.4 Ų | 69.4 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 135.6 | 169.5 | 28.4 | -33.1 | 0 | 0 | 0 | 110.9 | Y101 | Y101-P296 WeakPolarHBondContact CE1-O 3.3Š|
| 297 | P | 84.3 | Confident | 88 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 143.8 | 179.2 | 29.3 | -35.7 | 0 | 0 | 0 | 111.9 | R100 Y101 K299 | R100-P297 HydrophobicContact CB-CB 4.09Å; R100-P297 HydrophobicContact CG-CB 4.39Å; Y101-P297 VanDerWaalsContact CE1-CA 3.46Å; Y101-P297 HydrophobicContact CE1-CB 4.21Å; Y101-P297 HydrophobicContact CE2-CB 4.14Å; P297-K299 WeakPolarHBondContact CB-O 3.47Å; P297-K299 WeakPolarHBondContact CG-O 3.37Å; P297-K299 PolarHBondContact O-N 2.85Å |
| 298 | C | 86.8 | Confident | 88.2 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -70.9 | -10.5 | 174.6 | 78.5 | 0 | 0 | 0 | 0 | 113.3 | P75 R100 Y101 | P75-C298 HydrophobicContact CG-CB 3.74Å; R100-C298 PolarHBondContact O-SG 3.4Å; Y101-C298 VanDerWaalsContact C-SG 3.59Å |
| 299 | K | 89.8 | Confident | 88.6 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 9% | 0.087 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -120 | 138.4 | 174.1 | -65.6 | 179.8 | -149.8 | 68.4 | 0 | 109.2 | M99 R100 S102 P297 V304 | M99-K299 VanDerWaalsContact O-CD 3.31Å; M99-K299 WeakPolarHBondContact O-CD 3.46Å; M99-K299 VanDerWaalsContact O-CE 3.26Å; M99-K299 WeakPolarHBondContact O-CE 3.41Å; M99-K299 PolarHBondContact O-NZ 3.37Å; R100-K299 PolarHBondContact O-N 2.9Å; R100-K299 PolarHBondContact O-NZ 2.95Å; R100-K299 VanDerWaalsContact O-NZ 3.1Å; S102-K299 WeakPolarHBondContact O-CE 3.4Å; S102-K299 PolarHBondContact O-NZ 3.09Å; P297-K299 WeakPolarHBondContact CB-O 3.47Å; P297-K299 WeakPolarHBondContact CG-O 3.37Å; P297-K299 PolarHBondContact O-N 2.85Å; K299-V304 HydrophobicContact CB-CG2 3.94Å |
| 300 | S | 92 | Very high | 89.2 | Confident | 74 Ų | 74 | 71 Ų | 71 | 52% | 0.517 | 41% | 0.406 | S | S | . | . | trans | -62.8 | 147.8 | 176.4 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | L302 R303 V304 | S300-L302 PolarHBondContact O-N 3.37Å; S300-R303 WeakPolarHBondContact O-CB 3.17Å; S300-R303 PolarHBondContact O-N 3.46Å; S300-R303 WeakPolarHBondContact OG-CB 3.09Å; S300-R303 PolarHBondContact OG-N 2.82Å; S300-V304 WeakPolarHBondContact O-CG2 3.3Å; S300-V304 PolarHBondContact O-N 3.47Å; S300-V304 VanDerWaalsContact O-N 3.07Å | ||
| 301 | E | 91.1 | Very high | 89.9 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.5 | -35.3 | 177.1 | -70.7 | -57.2 | 128.9 | 0 | 0 | 112 | R100 V304 F305 | R100-E301 IonicContact NE-OE1 2.73Å; R100-E301 PolarHBondContact NE-OE1 3.38Å; R100-E301 IonicContact NE-OE2 3.55Å; R100-E301 IonicContact NH2-OE2 3.34Å; E301-V304 PolarHBondContact O-N 2.88Å; E301-F305 VanDerWaalsContact O-CB 3.25Å; E301-F305 WeakPolarHBondContact O-CB 3.45Å; E301-F305 PolarHBondContact O-N 3.18Å |
| 302 | L | 94.4 | Very high | 90.7 | Very high | 124 Ų | 124 | 67.3 Ų | 67.3 | 65% | 0.649 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.3 | -45.6 | 174 | -179.9 | 62.2 | 0 | 0 | 0 | 111.9 | S300 V304 F305 V306 | S300-L302 PolarHBondContact O-N 3.37Å; L302-V304 VanDerWaalsContact C-N 3.32Å; L302-V304 PolarHBondContact O-N 2.88Å; L302-F305 PolarHBondContact O-N 2.9Å; L302-V306 HydrophobicContact CD1-CG2 4.21Å; L302-V306 VanDerWaalsContact O-CG2 3.3Å; L302-V306 WeakPolarHBondContact O-CG2 3.15Å; L302-V306 PolarHBondContact O-N 3.03Å |
| 303 | R | 94.9 | Very high | 91.5 | Very high | 142 Ų | 142 | 68.9 Ų | 68.9 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 178.1 | 179.4 | 180 | 179.9 | 177 | 4.4 | 110.6 | S300 V306 V307 | S300-R303 WeakPolarHBondContact O-CB 3.17Å; S300-R303 PolarHBondContact O-N 3.46Å; S300-R303 WeakPolarHBondContact OG-CB 3.09Å; S300-R303 PolarHBondContact OG-N 2.82Å; R303-V306 PolarHBondContact O-N 3.22Å; R303-V307 VanDerWaalsContact O-CG2 3.29Å; R303-V307 WeakPolarHBondContact O-CG2 3.29Å; R303-V307 PolarHBondContact O-N 2.96Å |
| 304 | V | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | -179.6 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | M99 R100 K299 S300 E301 L302 V307 K308 | M99-V304 HydrophobicContact CG-CG1 4.31Å; M99-V304 HydrophobicContact SD-CG1 3.9Å; R100-V304 HydrophobicContact CG-CG1 4.27Å; R100-V304 HydrophobicContact CG-CG2 3.88Å; R100-V304 VanDerWaalsContact CZ-CG1 3.48Å; K299-V304 HydrophobicContact CB-CG2 3.94Å; S300-V304 WeakPolarHBondContact O-CG2 3.3Å; S300-V304 PolarHBondContact O-N 3.47Å; S300-V304 VanDerWaalsContact O-N 3.07Å; E301-V304 PolarHBondContact O-N 2.88Å; L302-V304 VanDerWaalsContact C-N 3.32Å; L302-V304 PolarHBondContact O-N 2.88Å; V304-V307 PolarHBondContact O-N 3.42Å; V304-K308 WeakPolarHBondContact O-CG 3.2Å; V304-K308 PolarHBondContact O-N 3.08Å |
| 305 | F | 95.5 | Very high | 93.2 | Very high | 112 Ų | 112 | 65.9 Ų | 65.9 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58 | -49.2 | 174.2 | 175.5 | -99.8 | 0 | 0 | 0 | 112.2 | E301 L302 V307 K308 L309 | E301-F305 VanDerWaalsContact O-CB 3.25Å; E301-F305 WeakPolarHBondContact O-CB 3.45Å; E301-F305 PolarHBondContact O-N 3.18Å; L302-F305 PolarHBondContact O-N 2.9Å; F305-V307 PolarHBondContact O-N 3.46Å; F305-K308 PolarHBondContact O-N 3.29Å; F305-L309 PolarHBondContact O-N 2.87Å |
| 306 | V | 97.1 | Very high | 93.8 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L302 R303 K308 L309 L310 | L302-V306 HydrophobicContact CD1-CG2 4.21Å; L302-V306 VanDerWaalsContact O-CG2 3.3Å; L302-V306 WeakPolarHBondContact O-CG2 3.15Å; L302-V306 PolarHBondContact O-N 3.03Å; R303-V306 PolarHBondContact O-N 3.22Å; V306-K308 VanDerWaalsContact C-N 3.34Å; V306-K308 PolarHBondContact O-N 3.41Å; V306-L309 PolarHBondContact O-N 3.49Å; V306-L310 HydrophobicContact CG1-CD1 3.86Å; V306-L310 HydrophobicContact CG1-CG 4.22Å; V306-L310 WeakPolarHBondContact O-CB 3.45Å; V306-L310 WeakPolarHBondContact O-CG 3.21Å; V306-L310 PolarHBondContact O-N 2.98Å |
| 307 | V | 96.9 | Very high | 94.7 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.8 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | T52 M99 R303 V304 F305 S311 | T52-V307 HydrophobicContact CG2-CG1 3.96Å; M99-V307 HydrophobicContact CE-CG1 4.46Å; R303-V307 VanDerWaalsContact O-CG2 3.29Å; R303-V307 WeakPolarHBondContact O-CG2 3.29Å; R303-V307 PolarHBondContact O-N 2.96Å; V304-V307 PolarHBondContact O-N 3.42Å; F305-V307 PolarHBondContact O-N 3.46Å; V307-S311 WeakPolarHBondContact O-CB 3.33Å; V307-S311 PolarHBondContact O-N 2.82Å |
| 308 | K | 97.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.6 | -71.6 | -175.3 | -62.8 | 176.7 | 0 | 111.9 | A56 E59 T60 M99 V304 F305 V306 S311 I312 | A56-K308 HydrophobicContact CB-CB 3.76Å; A56-K308 HydrophobicContact CB-CG 3.93Å; E59-K308 HydrophobicContact CB-CD 4.18Å; E59-K308 IonicContact OE2-NZ 2.68Å; E59-K308 PolarHBondContact OE2-NZ 3.33Å; T60-K308 HydrophobicContact CG2-CB 4.35Å; T60-K308 HydrophobicContact CG2-CD 4.32Å; M99-K308 HydrophobicContact SD-CG 4.12Å; V304-K308 WeakPolarHBondContact O-CG 3.2Å; V304-K308 PolarHBondContact O-N 3.08Å; F305-K308 PolarHBondContact O-N 3.29Å; V306-K308 VanDerWaalsContact C-N 3.34Å; V306-K308 PolarHBondContact O-N 3.41Å; K308-S311 WeakPolarHBondContact O-CB 3.37Å; K308-S311 PolarHBondContact O-N 2.96Å; K308-I312 WeakPolarHBondContact O-CG1 3.17Å; K308-I312 PolarHBondContact O-N 3.3Å |
| 309 | L | 97.3 | Very high | 95.8 | Very high | 101 Ų | 101 | 64.8 Ų | 64.8 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 179 | -176.5 | 68.1 | 0 | 0 | 0 | 111.5 | F305 V306 S311 I312 L313 | F305-L309 PolarHBondContact O-N 2.87Å; V306-L309 PolarHBondContact O-N 3.49Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.42Å; L309-I312 PolarHBondContact O-N 3.39Å; L309-L313 WeakPolarHBondContact O-CB 3.48Å; L309-L313 PolarHBondContact O-N 3.08Å |
| 310 | L | 97.9 | Very high | 96.1 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 177.2 | -69 | 177.9 | 0 | 0 | 0 | 111.6 | V306 L313 Y314 | V306-L310 HydrophobicContact CG1-CD1 3.86Å; V306-L310 HydrophobicContact CG1-CG 4.22Å; V306-L310 WeakPolarHBondContact O-CB 3.45Å; V306-L310 WeakPolarHBondContact O-CG 3.21Å; V306-L310 PolarHBondContact O-N 2.98Å; L310-L313 PolarHBondContact O-N 3.03Å; L310-Y314 WeakPolarHBondContact O-CB 3.44Å; L310-Y314 PolarHBondContact O-N 3.25Å |
| 311 | S | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 66 Ų | 66 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 176.2 | -176 | 0 | 0 | 0 | 0 | 111.5 | T52 L53 V307 K308 L309 L313 Y314 W315 | T52-S311 VanDerWaalsContact OG1-CB 3.3Å; T52-S311 WeakPolarHBondContact OG1-CB 3.27Å; T52-S311 PolarHBondContact OG1-OG 3.04Å; L53-S311 WeakPolarHBondContact CA-OG 3.35Å; L53-S311 PolarHBondContact N-OG 3.35Å; V307-S311 WeakPolarHBondContact O-CB 3.33Å; V307-S311 PolarHBondContact O-N 2.82Å; K308-S311 WeakPolarHBondContact O-CB 3.37Å; K308-S311 PolarHBondContact O-N 2.96Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.42Å; S311-L313 PolarHBondContact O-N 3.34Å; S311-Y314 PolarHBondContact O-N 2.91Å; S311-W315 WeakPolarHBondContact O-CB 3.26Å; S311-W315 PolarHBondContact O-N 3.19Å |
| 312 | I | 96.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 62 Ų | 62 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 178.7 | -68.9 | 164.5 | 0 | 0 | 0 | 110.3 | A56 L57 T60 K308 L309 T316 | A56-I312 HydrophobicContact CB-CD1 3.85Å; A56-I312 HydrophobicContact CB-CG1 3.68Å; L57-I312 HydrophobicContact CD2-CG1 4.42Å; T60-I312 HydrophobicContact CG2-CD1 4.1Å; T60-I312 WeakPolarHBondContact OG1-CD1 3.48Å; K308-I312 WeakPolarHBondContact O-CG1 3.17Å; K308-I312 PolarHBondContact O-N 3.3Å; L309-I312 PolarHBondContact O-N 3.39Å; I312-T316 WeakPolarHBondContact O-CB 3.17Å; I312-T316 PolarHBondContact O-N 2.7Å; I312-T316 PolarHBondContact O-OG1 3.35Å |
| 313 | L | 97.2 | Very high | 96.9 | Very high | 98 Ų | 98 | 59 Ų | 59 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.5 | -52.1 | 179.2 | 179.2 | 63.2 | 0 | 0 | 0 | 111.4 | L309 L310 S311 T316 L317 | L309-L313 WeakPolarHBondContact O-CB 3.48Å; L309-L313 PolarHBondContact O-N 3.08Å; L310-L313 PolarHBondContact O-N 3.03Å; S311-L313 PolarHBondContact O-N 3.34Å; L313-T316 PolarHBondContact O-N 3.11Å; L313-L317 HydrophobicContact CD1-CD1 3.67Å; L313-L317 HydrophobicContact CD1-CG 4.25Å; L313-L317 HydrophobicContact CG-CD1 4.11Å; L313-L317 VanDerWaalsContact O-CG 3.32Å; L313-L317 WeakPolarHBondContact O-CG 3.19Å; L313-L317 PolarHBondContact O-N 2.9Å; L313-L317 VanDerWaalsContact O-N 3.12Å |
| 314 | Y | 97.9 | Very high | 97.1 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.6 | -54.9 | -179 | 175.1 | -98.2 | 0 | 0 | 0 | 111.4 | M24 L310 S311 T316 L317 F318 | M24-Y314 HydrophobicContact CE-CE1 4.4Å; M24-Y314 HydrophobicContact SD-CE1 4.19Å; M24-Y314 PolarHBondContact SD-OH 3.01Å; M24-Y314 VanDerWaalsContact SD-OH 3.36Å; L310-Y314 WeakPolarHBondContact O-CB 3.44Å; L310-Y314 PolarHBondContact O-N 3.25Å; S311-Y314 PolarHBondContact O-N 2.91Å; Y314-T316 VanDerWaalsContact C-N 3.34Å; Y314-T316 PolarHBondContact O-N 3.19Å; Y314-L317 PolarHBondContact O-N 3.44Å; Y314-F318 HydrophobicContact CE1-CB 4.29Å; Y314-F318 HydrophobicContact CE1-CG 4.3Å; Y314-F318 WeakPolarHBondContact O-CB 3.34Å; Y314-F318 PolarHBondContact O-N 2.89Å |
| 315 | W | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.1 | -29.2 | -174 | -73.2 | 111 | 0 | 0 | 0 | 113.6 | G16 M24 T49 W50 L53 S311 F318 S319 | G16-W315 WeakPolarHBondContact O-CZ3 3.48Å; M24-W315 HydrophobicContact CE-CH2 4.34Å; M24-W315 HydrophobicContact SD-CH2 3.38Å; M24-W315 WeakPolarHBondContact SD-CH2 3.47Å; M24-W315 HydrophobicContact SD-CZ2 4.08Å; M24-W315 HydrophobicContact SD-CZ3 4.01Å; T49-W315 PolarHBondContact O-NE1 3.43Å; W50-W315 VanDerWaalsContact CA-CZ2 3.44Å; W50-W315 HydrophobicContact CB-CH2 3.96Å; W50-W315 HydrophobicContact CB-CZ2 3.51Å; W50-W315 AromaticContact CD1-CH2 3.78Å; W50-W315 AromaticContact CD1-CZ2 3.82Å; W50-W315 HydrophobicContact CG-CH2 4.27Å; W50-W315 HydrophobicContact CG-CZ2 4.08Å; L53-W315 HydrophobicContact CB-CG 4.28Å; L53-W315 HydrophobicContact CD1-CB 3.73Å; L53-W315 HydrophobicContact CD1-CG 4.02Å; L53-W315 HydrophobicContact CD2-CB 3.81Å; L53-W315 HydrophobicContact CD2-CD2 4.14Å; L53-W315 HydrophobicContact CD2-CG 3.71Å; L53-W315 HydrophobicContact CG-CB 4.31Å; L53-W315 HydrophobicContact CG-CG 4.22Å; S311-W315 WeakPolarHBondContact O-CB 3.26Å; S311-W315 PolarHBondContact O-N 3.19Å; W315-F318 AromaticContact CE3-CD1 3.84Å; W315-F318 HydrophobicContact CE3-CD1 3.84Å; W315-F318 HydrophobicContact CE3-CE1 4.49Å; W315-F318 AromaticContact CZ3-CD1 3.67Å; W315-F318 HydrophobicContact CZ3-CD1 3.67Å; W315-F318 AromaticContact CZ3-CE1 3.87Å; W315-F318 HydrophobicContact CZ3-CE1 3.87Å; W315-S319 PolarHBondContact O-OG 3.05Å |
| 316 | T | 94.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 174.1 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | I312 L313 Y314 P320 | I312-T316 WeakPolarHBondContact O-CB 3.17Å; I312-T316 PolarHBondContact O-N 2.7Å; I312-T316 PolarHBondContact O-OG1 3.35Å; L313-T316 PolarHBondContact O-N 3.11Å; Y314-T316 VanDerWaalsContact C-N 3.34Å; Y314-T316 PolarHBondContact O-N 3.19Å; T316-P320 WeakPolarHBondContact O-CD 3.46Å; T316-P320 VanDerWaalsContact O-CG 3.29Å; T316-P320 WeakPolarHBondContact O-CG 3.34Å |
| 317 | L | 97.4 | Very high | 97.5 | Very high | 109 Ų | 109 | 61.4 Ų | 61.4 | 57% | 0.571 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -84.6 | -35.2 | 177.9 | -65.6 | 177 | 0 | 0 | 0 | 112.7 | L313 Y314 P320 A321 | L313-L317 HydrophobicContact CD1-CD1 3.67Å; L313-L317 HydrophobicContact CD1-CG 4.25Å; L313-L317 HydrophobicContact CG-CD1 4.11Å; L313-L317 VanDerWaalsContact O-CG 3.32Å; L313-L317 WeakPolarHBondContact O-CG 3.19Å; L313-L317 PolarHBondContact O-N 2.9Å; L313-L317 VanDerWaalsContact O-N 3.12Å; Y314-L317 PolarHBondContact O-N 3.44Å; L317-P320 WeakPolarHBondContact O-CD 3.36Å; L317-A321 VanDerWaalsContact O-CB 3.24Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 2.92Å; L317-A321 VanDerWaalsContact O-N 3.1Å |
| 318 | F | 97.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | -175.2 | 177.2 | -103.9 | 0 | 0 | 0 | 112.4 | F19 F23 M24 Y314 W315 A321 M322 | F19-F318 HydrophobicContact CB-CD1 4.43Å; F19-F318 HydrophobicContact CB-CE1 3.75Å; F23-F318 HydrophobicContact CB-CZ 4.05Å; M24-F318 HydrophobicContact CG-CE1 4.43Å; M24-F318 HydrophobicContact CG-CE2 4.19Å; M24-F318 HydrophobicContact CG-CZ 3.74Å; M24-F318 HydrophobicContact SD-CE1 4.31Å; M24-F318 HydrophobicContact SD-CZ 4.09Å; Y314-F318 HydrophobicContact CE1-CB 4.29Å; Y314-F318 HydrophobicContact CE1-CG 4.3Å; Y314-F318 WeakPolarHBondContact O-CB 3.34Å; Y314-F318 PolarHBondContact O-N 2.89Å; W315-F318 AromaticContact CE3-CD1 3.84Å; W315-F318 HydrophobicContact CE3-CD1 3.84Å; W315-F318 HydrophobicContact CE3-CE1 4.49Å; W315-F318 AromaticContact CZ3-CD1 3.67Å; W315-F318 HydrophobicContact CZ3-CD1 3.67Å; W315-F318 AromaticContact CZ3-CE1 3.87Å; W315-F318 HydrophobicContact CZ3-CE1 3.87Å; F318-A321 WeakPolarHBondContact O-CB 3.48Å; F318-A321 PolarHBondContact O-N 2.89Å; F318-M322 HydrophobicContact CD1-CG 4.36Å; F318-M322 HydrophobicContact CD2-CE 3.97Å; F318-M322 HydrophobicContact CD2-CG 4.31Å; F318-M322 HydrophobicContact CE1-CG 3.97Å; F318-M322 HydrophobicContact CE2-CE 3.74Å; F318-M322 HydrophobicContact CE2-CG 3.91Å; F318-M322 HydrophobicContact CE2-SD 3.87Å; F318-M322 HydrophobicContact CZ-CE 4.47Å; F318-M322 HydrophobicContact CZ-CG 3.73Å; F318-M322 HydrophobicContact CZ-SD 4.03Å; F318-M322 WeakPolarHBondContact O-CG 3.46Å; F318-M322 PolarHBondContact O-N 2.99Å |
| 319 | S | 95.5 | Very high | 97.6 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -48.3 | -175.1 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | W315 A321 M322 C323 | W315-S319 PolarHBondContact O-OG 3.05Å; S319-A321 VanDerWaalsContact C-N 3.32Å; S319-A321 PolarHBondContact O-N 3.46Å; S319-M322 PolarHBondContact O-N 3.24Å; S319-C323 PolarHBondContact O-N 3.18Å; S319-C323 VanDerWaalsContact O-N 3.15Å; S319-C323 PolarHBondContact O-SG 3.49Å |
| 320 | P | 97.2 | Very high | 97.6 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 51% | 0.506 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 173.1 | -23.4 | 35.3 | 0 | 0 | 0 | 113.3 | T316 L317 M322 C323 L324 | T316-P320 WeakPolarHBondContact O-CD 3.46Å; T316-P320 VanDerWaalsContact O-CG 3.29Å; T316-P320 WeakPolarHBondContact O-CG 3.34Å; L317-P320 WeakPolarHBondContact O-CD 3.36Å; P320-M322 VanDerWaalsContact C-N 3.35Å; P320-M322 PolarHBondContact O-N 3.03Å; P320-C323 WeakPolarHBondContact O-CB 3.37Å; P320-C323 PolarHBondContact O-N 3.44Å; P320-L324 PolarHBondContact O-N 2.93Å |
| 321 | A | 98.3 | Very high | 97.7 | Very high | 41 Ų | 41 | 67.5 Ų | 67.5 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L317 F318 S319 L324 L325 | L317-A321 VanDerWaalsContact O-CB 3.24Å; L317-A321 WeakPolarHBondContact O-CB 3.34Å; L317-A321 PolarHBondContact O-N 2.92Å; L317-A321 VanDerWaalsContact O-N 3.1Å; F318-A321 WeakPolarHBondContact O-CB 3.48Å; F318-A321 PolarHBondContact O-N 2.89Å; S319-A321 VanDerWaalsContact C-N 3.32Å; S319-A321 PolarHBondContact O-N 3.46Å; A321-L324 WeakPolarHBondContact O-CB 3.24Å; A321-L324 PolarHBondContact O-N 3.27Å; A321-L325 WeakPolarHBondContact O-CG 3.44Å; A321-L325 PolarHBondContact O-N 3.43Å |
| 322 | M | 98.2 | Very high | 97.7 | Very high | 22 Ų | 22 | 68.8 Ų | 68.8 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.7 | -65.8 | -52.1 | 103.2 | 0 | 0 | 111.9 | F19 F23 F318 S319 P320 L324 L325 I326 | F19-M322 HydrophobicContact CB-CB 4.36Å; F19-M322 HydrophobicContact CB-CG 4.17Å; F19-M322 HydrophobicContact CD1-CB 3.89Å; F19-M322 HydrophobicContact CD1-CG 4.5Å; F19-M322 HydrophobicContact CD2-CB 4.3Å; F19-M322 HydrophobicContact CE1-CB 4.19Å; F19-M322 HydrophobicContact CG-CB 3.94Å; F19-M322 HydrophobicContact CG-CG 4.3Å; F23-M322 HydrophobicContact CB-CG 4.45Å; F23-M322 HydrophobicContact CB-SD 3.76Å; F23-M322 HydrophobicContact CD1-SD 4.06Å; F23-M322 HydrophobicContact CD2-CB 3.97Å; F23-M322 HydrophobicContact CD2-CG 3.67Å; F23-M322 HydrophobicContact CD2-SD 3.65Å; F23-M322 HydrophobicContact CE2-CB 3.93Å; F23-M322 HydrophobicContact CE2-CG 4.15Å; F23-M322 HydrophobicContact CE2-SD 4.21Å; F23-M322 HydrophobicContact CG-CG 4.18Å; F23-M322 HydrophobicContact CG-SD 3.55Å; F23-M322 VanDerWaalsContact CG-SD 3.55Å; F318-M322 HydrophobicContact CD1-CG 4.36Å; F318-M322 HydrophobicContact CD2-CE 3.97Å; F318-M322 HydrophobicContact CD2-CG 4.31Å; F318-M322 HydrophobicContact CE1-CG 3.97Å; F318-M322 HydrophobicContact CE2-CE 3.74Å; F318-M322 HydrophobicContact CE2-CG 3.91Å; F318-M322 HydrophobicContact CE2-SD 3.87Å; F318-M322 HydrophobicContact CZ-CE 4.47Å; F318-M322 HydrophobicContact CZ-CG 3.73Å; F318-M322 HydrophobicContact CZ-SD 4.03Å; F318-M322 WeakPolarHBondContact O-CG 3.46Å; F318-M322 PolarHBondContact O-N 2.99Å; S319-M322 PolarHBondContact O-N 3.24Å; P320-M322 VanDerWaalsContact C-N 3.35Å; P320-M322 PolarHBondContact O-N 3.03Å; M322-L324 VanDerWaalsContact C-N 3.32Å; M322-L324 PolarHBondContact O-N 3.32Å; M322-L325 HydrophobicContact CE-CD1 3.62Å; M322-L325 PolarHBondContact O-N 2.99Å; M322-L325 HydrophobicContact SD-CD1 4.15Å; M322-I326 VanDerWaalsContact O-CG1 3.25Å; M322-I326 WeakPolarHBondContact O-CG1 3.43Å; M322-I326 PolarHBondContact O-N 3.48Å |
| 323 | C | 98.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 72.5 Ų | 72.5 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 172.4 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | F19 S319 P320 I326 Y327 | F19-C323 VanDerWaalsContact CE2-SG 3.6Å; F19-C323 WeakPolarHBondContact CZ-SG 3.33Å; S319-C323 PolarHBondContact O-N 3.18Å; S319-C323 VanDerWaalsContact O-N 3.15Å; S319-C323 PolarHBondContact O-SG 3.49Å; P320-C323 WeakPolarHBondContact O-CB 3.37Å; P320-C323 PolarHBondContact O-N 3.44Å; C323-I326 PolarHBondContact O-N 2.94Å; C323-Y327 PolarHBondContact O-N 2.88Å |
| 324 | L | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 76 Ų | 76 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 177.7 | -177.6 | 63.2 | 0 | 0 | 0 | 111.5 | P320 A321 M322 I326 Y327 L328 | P320-L324 PolarHBondContact O-N 2.93Å; A321-L324 WeakPolarHBondContact O-CB 3.24Å; A321-L324 PolarHBondContact O-N 3.27Å; M322-L324 VanDerWaalsContact C-N 3.32Å; M322-L324 PolarHBondContact O-N 3.32Å; L324-I326 PolarHBondContact O-N 3.35Å; L324-Y327 PolarHBondContact O-N 3.49Å; L324-L328 HydrophobicContact CD1-CD1 3.77Å; L324-L328 HydrophobicContact CD1-CD2 4.48Å; L324-L328 HydrophobicContact CD1-CG 3.93Å; L324-L328 HydrophobicContact CD2-CD1 4.34Å; L324-L328 HydrophobicContact CG-CD1 3.71Å; L324-L328 HydrophobicContact CG-CG 4.23Å; L324-L328 WeakPolarHBondContact O-CB 3.3Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 3.42Å |
| 325 | L | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 177.7 | -69.8 | 178.4 | 0 | 0 | 0 | 112.2 | A321 M322 Y327 L328 Y329 V332 | A321-L325 WeakPolarHBondContact O-CG 3.44Å; A321-L325 PolarHBondContact O-N 3.43Å; M322-L325 HydrophobicContact CE-CD1 3.62Å; M322-L325 PolarHBondContact O-N 2.99Å; M322-L325 HydrophobicContact SD-CD1 4.15Å; L325-Y327 VanDerWaalsContact C-N 3.31Å; L325-Y327 PolarHBondContact O-N 3.34Å; L325-L328 PolarHBondContact O-N 2.85Å; L325-Y329 HydrophobicContact CD2-CD2 3.84Å; L325-Y329 HydrophobicContact CD2-CE2 3.68Å; L325-Y329 PolarHBondContact O-N 3.46Å; L325-V332 HydrophobicContact CB-CG1 4.09Å |
| 326 | I | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 76.4 Ų | 76.4 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 174.5 | -68.7 | 165.1 | 0 | 0 | 0 | 110.1 | F19 F23 M322 C323 L324 V332 R333 F336 | F19-I326 HydrophobicContact CE1-CD1 3.79Å; F19-I326 HydrophobicContact CZ-CD1 4.48Å; F23-I326 HydrophobicContact CE2-CD1 3.99Å; F23-I326 HydrophobicContact CE2-CG1 4.43Å; F23-I326 HydrophobicContact CZ-CD1 3.93Å; F23-I326 HydrophobicContact CZ-CG1 3.9Å; M322-I326 VanDerWaalsContact O-CG1 3.25Å; M322-I326 WeakPolarHBondContact O-CG1 3.43Å; M322-I326 PolarHBondContact O-N 3.48Å; C323-I326 PolarHBondContact O-N 2.94Å; L324-I326 PolarHBondContact O-N 3.35Å; I326-V332 HydrophobicContact CG1-CG1 3.94Å; I326-R333 HydrophobicContact CG2-CG 4.01Å; I326-R333 WeakPolarHBondContact O-CD 3.34Å; I326-R333 WeakPolarHBondContact O-CG 3.21Å; I326-R333 PolarHBondContact O-NE 2.82Å; I326-F336 HydrophobicContact CD1-CD1 4.47Å; I326-F336 HydrophobicContact CD1-CD2 3.67Å; I326-F336 HydrophobicContact CD1-CE2 3.9Å; I326-F336 HydrophobicContact CD1-CG 3.98Å; I326-F336 HydrophobicContact CD1-CZ 4.4Å; I326-F336 HydrophobicContact CG1-CB 4.45Å; I326-F336 HydrophobicContact CG1-CD2 4.47Å; I326-F336 HydrophobicContact CG1-CG 4.41Å |
| 327 | Y | 98.3 | Very high | 98.1 | Very high | 176 Ų | 176 | 77.8 Ų | 77.8 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.2 | -51.7 | 178.2 | 179.2 | -103.9 | 0 | 0 | 0 | 111.6 | C323 L324 L325 R333 | C323-Y327 PolarHBondContact O-N 2.88Å; L324-Y327 PolarHBondContact O-N 3.49Å; L325-Y327 VanDerWaalsContact C-N 3.31Å; L325-Y327 PolarHBondContact O-N 3.34Å; Y327-R333 PolarHBondContact O-NH2 2.86Å |
| 328 | L | 98.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 76.9 Ų | 76.9 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.3 | -38.3 | -172 | -66.9 | 177.5 | 0 | 0 | 0 | 113.9 | L324 L325 | L324-L328 HydrophobicContact CD1-CD1 3.77Å; L324-L328 HydrophobicContact CD1-CD2 4.48Å; L324-L328 HydrophobicContact CD1-CG 3.93Å; L324-L328 HydrophobicContact CD2-CD1 4.34Å; L324-L328 HydrophobicContact CG-CD1 3.71Å; L324-L328 HydrophobicContact CG-CG 4.23Å; L324-L328 WeakPolarHBondContact O-CB 3.3Å; L324-L328 VanDerWaalsContact O-CG 3.28Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 3.42Å; L325-L328 PolarHBondContact O-N 2.85Å |
| 329 | Y | 98.3 | Very high | 98.1 | Very high | 131 Ų | 131 | 76.1 Ų | 76.1 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | trans | -118 | 119.6 | -166.3 | -59.9 | -79.9 | 0 | 0 | 0 | 113.1 | L325 L331 V332 R333 | L325-Y329 HydrophobicContact CD2-CD2 3.84Å; L325-Y329 HydrophobicContact CD2-CE2 3.68Å; L325-Y329 PolarHBondContact O-N 3.46Å; Y329-L331 VanDerWaalsContact C-N 3.35Å; Y329-L331 PolarHBondContact O-N 3.47Å; Y329-V332 HydrophobicContact CG-CG2 4.48Å; Y329-V332 PolarHBondContact O-N 3.31Å; Y329-V332 VanDerWaalsContact O-N 3.16Å; Y329-R333 PolarHBondContact O-N 3.47Å | ||
| 330 | G | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 77.5 Ų | 77.5 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V332 R333 W334 | G330-V332 VanDerWaalsContact C-N 3.32Å; G330-V332 PolarHBondContact O-N 3.41Å; G330-R333 WeakPolarHBondContact O-CB 3.47Å; G330-R333 PolarHBondContact O-N 3.17Å; G330-W334 PolarHBondContact O-N 2.92Å |
| 331 | L | 98.2 | Very high | 98.3 | Very high | 153 Ų | 153 | 77.2 Ų | 77.2 | 80% | 0.801 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63 | -38 | 176.5 | -67.4 | 177.6 | 0 | 0 | 0 | 112.2 | Y329 R333 W334 Y335 | Y329-L331 VanDerWaalsContact C-N 3.35Å; Y329-L331 PolarHBondContact O-N 3.47Å; L331-R333 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 2.94Å; L331-W334 PolarHBondContact O-N 3.43Å; L331-Y335 WeakPolarHBondContact O-CB 3.47Å; L331-Y335 PolarHBondContact O-N 3.44Å |
| 332 | V | 98.4 | Very high | 98.2 | Very high | 33 Ų | 33 | 78.9 Ų | 78.9 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | F23 L325 I326 Y329 G330 Y335 F336 | F23-V332 HydrophobicContact CE1-CG1 3.79Å; F23-V332 HydrophobicContact CZ-CG1 3.99Å; L325-V332 HydrophobicContact CB-CG1 4.09Å; I326-V332 HydrophobicContact CG1-CG1 3.94Å; Y329-V332 HydrophobicContact CG-CG2 4.48Å; Y329-V332 PolarHBondContact O-N 3.31Å; Y329-V332 VanDerWaalsContact O-N 3.16Å; G330-V332 VanDerWaalsContact C-N 3.32Å; G330-V332 PolarHBondContact O-N 3.41Å; V332-Y335 PolarHBondContact O-N 3.04Å; V332-F336 VanDerWaalsContact O-CB 3.26Å; V332-F336 WeakPolarHBondContact O-CB 3.43Å; V332-F336 PolarHBondContact O-N 3.49Å |
| 333 | R | 98.5 | Very high | 98.1 | Very high | 114 Ų | 114 | 77.8 Ų | 77.8 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174.7 | -60.3 | -179.6 | -141.1 | 139.5 | 3.6 | 112 | I326 Y327 Y329 G330 L331 F336 I337 | I326-R333 HydrophobicContact CG2-CG 4.01Å; I326-R333 WeakPolarHBondContact O-CD 3.34Å; I326-R333 WeakPolarHBondContact O-CG 3.21Å; I326-R333 PolarHBondContact O-NE 2.82Å; Y327-R333 PolarHBondContact O-NH2 2.86Å; Y329-R333 PolarHBondContact O-N 3.47Å; G330-R333 WeakPolarHBondContact O-CB 3.47Å; G330-R333 PolarHBondContact O-N 3.17Å; L331-R333 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 2.94Å; R333-F336 PolarHBondContact O-N 2.97Å; R333-I337 VanDerWaalsContact O-CG1 3.31Å; R333-I337 WeakPolarHBondContact O-CG1 3.21Å; R333-I337 PolarHBondContact O-N 3.33Å |
| 334 | W | 98.4 | Very high | 98 | Very high | 172 Ų | 172 | 77.4 Ų | 77.4 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 177 | -79.2 | 116.3 | 0 | 0 | 0 | 111.4 | G330 L331 F336 I337 I338 | G330-W334 PolarHBondContact O-N 2.92Å; L331-W334 PolarHBondContact O-N 3.43Å; W334-F336 VanDerWaalsContact C-N 3.34Å; W334-F336 PolarHBondContact O-N 2.94Å; W334-I337 PolarHBondContact O-N 2.82Å; W334-I338 WeakPolarHBondContact O-CB 3.48Å; W334-I338 WeakPolarHBondContact O-CD1 3.33Å; W334-I338 WeakPolarHBondContact O-CG1 3.11Å; W334-I338 PolarHBondContact O-N 2.88Å |
| 335 | Y | 98.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 76.6 Ų | 76.6 | 28% | 0.275 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 174.3 | 173.8 | -94 | 0 | 0 | 0 | 112.2 | I22 F23 G26 P27 L331 V332 I337 I338 T339 | I22-Y335 HydrophobicContact CG2-CD1 4.43Å; I22-Y335 HydrophobicContact CG2-CE1 3.89Å; I22-Y335 WeakPolarHBondContact O-CE1 3.47Å; I22-Y335 PolarHBondContact O-OH 3.4Å; F23-Y335 AromaticContact CD1-CD1 3.98Å; F23-Y335 HydrophobicContact CD1-CD1 3.98Å; F23-Y335 AromaticContact CD1-CE1 3.69Å; F23-Y335 HydrophobicContact CD1-CE1 3.69Å; F23-Y335 AromaticContact CE1-CD1 3.66Å; F23-Y335 HydrophobicContact CE1-CD1 3.66Å; F23-Y335 AromaticContact CE1-CE1 3.85Å; F23-Y335 HydrophobicContact CE1-CE1 3.85Å; G26-Y335 WeakPolarHBondContact CA-OH 3.16Å; P27-Y335 WeakPolarHBondContact CD-OH 3.39Å; P27-Y335 WeakPolarHBondContact CG-OH 3.46Å; L331-Y335 WeakPolarHBondContact O-CB 3.47Å; L331-Y335 PolarHBondContact O-N 3.44Å; V332-Y335 PolarHBondContact O-N 3.04Å; Y335-I337 PolarHBondContact O-N 3.43Å; Y335-I338 PolarHBondContact O-N 3.32Å; Y335-T339 WeakPolarHBondContact CE2-OG1 3.31Å; Y335-T339 VanDerWaalsContact O-CB 3.26Å; Y335-T339 WeakPolarHBondContact O-CB 3.36Å; Y335-T339 PolarHBondContact O-N 3.33Å; Y335-T339 PolarHBondContact O-OG1 3.49Å |
| 336 | F | 98.6 | Very high | 97.7 | Very high | 40 Ų | 40 | 74 Ų | 74 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -48.9 | 178.1 | 173.3 | -100.3 | 0 | 0 | 0 | 111.8 | F18 F19 I22 F23 I326 V332 R333 W334 I340 | F18-F336 AromaticContact CE1-CE2 3.71Å; F18-F336 HydrophobicContact CE1-CE2 3.71Å; F18-F336 AromaticContact CE1-CZ 3.81Å; F18-F336 HydrophobicContact CE1-CZ 3.81Å; F18-F336 HydrophobicContact CZ-CE2 4.13Å; F18-F336 HydrophobicContact CZ-CZ 4.01Å; F19-F336 HydrophobicContact CD1-CE2 4.43Å; F19-F336 AromaticContact CE1-CE2 3.98Å; F19-F336 HydrophobicContact CE1-CE2 3.98Å; I22-F336 HydrophobicContact CD1-CD2 3.7Å; I22-F336 HydrophobicContact CD1-CE2 3.44Å; I22-F336 VanDerWaalsContact CD1-CE2 3.44Å; I22-F336 HydrophobicContact CD1-CZ 4.4Å; I22-F336 HydrophobicContact CG2-CD2 4.03Å; F23-F336 AromaticContact CE2-CD2 3.95Å; F23-F336 HydrophobicContact CE2-CD2 3.95Å; F23-F336 HydrophobicContact CZ-CB 4.14Å; F23-F336 AromaticContact CZ-CD2 3.94Å; F23-F336 HydrophobicContact CZ-CD2 3.94Å; F23-F336 HydrophobicContact CZ-CG 4.49Å; I326-F336 HydrophobicContact CD1-CD1 4.47Å; I326-F336 HydrophobicContact CD1-CD2 3.67Å; I326-F336 HydrophobicContact CD1-CE2 3.9Å; I326-F336 HydrophobicContact CD1-CG 3.98Å; I326-F336 HydrophobicContact CD1-CZ 4.4Å; I326-F336 HydrophobicContact CG1-CB 4.45Å; I326-F336 HydrophobicContact CG1-CD2 4.47Å; I326-F336 HydrophobicContact CG1-CG 4.41Å; V332-F336 VanDerWaalsContact O-CB 3.26Å; V332-F336 WeakPolarHBondContact O-CB 3.43Å; V332-F336 PolarHBondContact O-N 3.49Å; R333-F336 PolarHBondContact O-N 2.97Å; W334-F336 VanDerWaalsContact C-N 3.34Å; W334-F336 PolarHBondContact O-N 2.94Å; F336-I340 HydrophobicContact CD1-CD1 3.98Å; F336-I340 HydrophobicContact CD2-CD1 4.24Å; F336-I340 HydrophobicContact CE1-CD1 3.5Å; F336-I340 HydrophobicContact CE2-CD1 3.78Å; F336-I340 HydrophobicContact CG-CD1 4.33Å; F336-I340 HydrophobicContact CZ-CD1 3.4Å; F336-I340 WeakPolarHBondContact O-CG1 3.34Å; F336-I340 PolarHBondContact O-N 3.33Å; F336-I340 VanDerWaalsContact O-N 3.08Å |
| 337 | I | 98.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 74.5 Ų | 74.5 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 178.9 | -67.1 | 166.5 | 0 | 0 | 0 | 110.8 | R333 W334 Y335 T339 I340 V341 | R333-I337 VanDerWaalsContact O-CG1 3.31Å; R333-I337 WeakPolarHBondContact O-CG1 3.21Å; R333-I337 PolarHBondContact O-N 3.33Å; W334-I337 PolarHBondContact O-N 2.82Å; Y335-I337 PolarHBondContact O-N 3.43Å; I337-T339 VanDerWaalsContact C-N 3.32Å; I337-T339 PolarHBondContact O-N 2.9Å; I337-I340 PolarHBondContact O-N 3.08Å; I337-V341 WeakPolarHBondContact O-CG2 3.26Å; I337-V341 PolarHBondContact O-N 3.41Å |
| 338 | I | 98.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 46% | 0.462 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | -179.3 | -69.9 | 165.1 | 0 | 0 | 0 | 110.4 | W334 Y335 I340 V341 I342 | W334-I338 WeakPolarHBondContact O-CB 3.48Å; W334-I338 WeakPolarHBondContact O-CD1 3.33Å; W334-I338 WeakPolarHBondContact O-CG1 3.11Å; W334-I338 PolarHBondContact O-N 2.88Å; Y335-I338 PolarHBondContact O-N 3.32Å; I338-I340 PolarHBondContact O-N 3.44Å; I338-V341 WeakPolarHBondContact O-CB 3.4Å; I338-V341 PolarHBondContact O-N 3.15Å; I338-I342 HydrophobicContact CG2-CD1 3.85Å; I338-I342 HydrophobicContact CG2-CG1 4.39Å; I338-I342 WeakPolarHBondContact O-CG1 3.45Å; I338-I342 PolarHBondContact O-N 3.21Å |
| 339 | T | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | I22 Y335 I337 I342 F343 | I22-T339 HydrophobicContact CB-CG2 4.27Å; I22-T339 HydrophobicContact CG1-CG2 4.3Å; I22-T339 HydrophobicContact CG2-CG2 3.96Å; Y335-T339 WeakPolarHBondContact CE2-OG1 3.31Å; Y335-T339 VanDerWaalsContact O-CB 3.26Å; Y335-T339 WeakPolarHBondContact O-CB 3.36Å; Y335-T339 PolarHBondContact O-N 3.33Å; Y335-T339 PolarHBondContact O-OG1 3.49Å; I337-T339 VanDerWaalsContact C-N 3.32Å; I337-T339 PolarHBondContact O-N 2.9Å; T339-I342 PolarHBondContact O-N 3.39Å; T339-F343 HydrophobicContact CG2-CD2 3.71Å; T339-F343 HydrophobicContact CG2-CE2 3.53Å; T339-F343 VanDerWaalsContact O-CD2 3.23Å; T339-F343 WeakPolarHBondContact O-CD2 3.31Å; T339-F343 PolarHBondContact O-N 3.3Å |
| 340 | I | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 76.5 Ų | 76.5 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 172.5 | -72.8 | 170.4 | 0 | 0 | 0 | 110.8 | F18 I22 W123 F336 I337 I338 I342 F343 V344 | F18-I340 HydrophobicContact CZ-CD1 3.89Å; F18-I340 HydrophobicContact CZ-CG1 4.46Å; I22-I340 HydrophobicContact CD1-CD1 3.97Å; I22-I340 HydrophobicContact CD1-CG1 3.66Å; I22-I340 HydrophobicContact CG1-CG1 4.35Å; W123-I340 HydrophobicContact CH2-CG1 4.16Å; W123-I340 HydrophobicContact CH2-CG2 4.28Å; W123-I340 HydrophobicContact CZ3-CG1 4.37Å; F336-I340 HydrophobicContact CD1-CD1 3.98Å; F336-I340 HydrophobicContact CD2-CD1 4.24Å; F336-I340 HydrophobicContact CE1-CD1 3.5Å; F336-I340 HydrophobicContact CE2-CD1 3.78Å; F336-I340 HydrophobicContact CG-CD1 4.33Å; F336-I340 HydrophobicContact CZ-CD1 3.4Å; F336-I340 WeakPolarHBondContact O-CG1 3.34Å; F336-I340 PolarHBondContact O-N 3.33Å; F336-I340 VanDerWaalsContact O-N 3.08Å; I337-I340 PolarHBondContact O-N 3.08Å; I338-I340 PolarHBondContact O-N 3.44Å; I340-I342 VanDerWaalsContact C-N 3.3Å; I340-I342 PolarHBondContact O-N 2.91Å; I340-F343 PolarHBondContact O-N 2.8Å; I340-V344 HydrophobicContact CG2-CG2 4.35Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.24Å |
| 341 | V | 97.8 | Very high | 96.4 | Very high | 72 Ų | 72 | 76.8 Ų | 76.8 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 177.6 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | I337 I338 V344 L345 | I337-V341 WeakPolarHBondContact O-CG2 3.26Å; I337-V341 PolarHBondContact O-N 3.41Å; I338-V341 WeakPolarHBondContact O-CB 3.4Å; I338-V341 PolarHBondContact O-N 3.15Å; V341-V344 PolarHBondContact O-N 3.41Å; V341-L345 HydrophobicContact CG1-CD1 3.48Å; V341-L345 VanDerWaalsContact CG1-CD1 3.48Å; V341-L345 HydrophobicContact CG1-CG 3.99Å; V341-L345 VanDerWaalsContact O-CB 3.27Å; V341-L345 WeakPolarHBondContact O-CB 3.43Å; V341-L345 VanDerWaalsContact O-CG 3.29Å; V341-L345 WeakPolarHBondContact O-CG 3.37Å; V341-L345 PolarHBondContact O-N 3.12Å |
| 342 | I | 96.8 | Very high | 96.2 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.7 | -54.9 | 174.8 | -70.8 | 167.6 | 0 | 0 | 0 | 110.1 | L29 I338 T339 I340 V344 L345 Q346 | L29-I342 HydrophobicContact CD1-CG2 4.14Å; I338-I342 HydrophobicContact CG2-CD1 3.85Å; I338-I342 HydrophobicContact CG2-CG1 4.39Å; I338-I342 WeakPolarHBondContact O-CG1 3.45Å; I338-I342 PolarHBondContact O-N 3.21Å; T339-I342 PolarHBondContact O-N 3.39Å; I340-I342 VanDerWaalsContact C-N 3.3Å; I340-I342 PolarHBondContact O-N 2.91Å; I342-V344 VanDerWaalsContact C-N 3.29Å; I342-V344 PolarHBondContact O-N 2.84Å; I342-L345 PolarHBondContact O-N 3.39Å; I342-Q346 VanDerWaalsContact O-CB 3.23Å; I342-Q346 WeakPolarHBondContact O-CB 3.17Å; I342-Q346 WeakPolarHBondContact O-CG 3.43Å; I342-Q346 PolarHBondContact O-N 2.96Å |
| 343 | F | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -34.4 | -177.6 | -84.5 | -68.9 | 0 | 0 | 0 | 113.7 | S21 L29 W123 T339 I340 Q346 L353 | S21-F343 WeakPolarHBondContact O-CE2 3.41Å; S21-F343 WeakPolarHBondContact O-CZ 3.28Å; L29-F343 HydrophobicContact CD1-CE2 4.41Å; L29-F343 HydrophobicContact CD1-CZ 4.19Å; W123-F343 HydrophobicContact CB-CD1 3.56Å; W123-F343 HydrophobicContact CB-CE1 3.71Å; W123-F343 HydrophobicContact CB-CG 4.13Å; W123-F343 HydrophobicContact CB-CZ 4.43Å; W123-F343 HydrophobicContact CD2-CB 3.69Å; W123-F343 HydrophobicContact CD2-CD1 4.18Å; W123-F343 HydrophobicContact CD2-CD2 4.35Å; W123-F343 AromaticContact CD2-CG 3.85Å; W123-F343 HydrophobicContact CD2-CG 3.85Å; W123-F343 HydrophobicContact CE3-CB 4.2Å; W123-F343 HydrophobicContact CE3-CD2 4.16Å; W123-F343 HydrophobicContact CE3-CG 4.13Å; W123-F343 HydrophobicContact CG-CB 3.91Å; W123-F343 AromaticContact CG-CD1 3.68Å; W123-F343 HydrophobicContact CG-CD1 3.68Å; W123-F343 HydrophobicContact CG-CE1 4.32Å; W123-F343 AromaticContact CG-CG 3.85Å; W123-F343 HydrophobicContact CG-CG 3.85Å; W123-F343 HydrophobicContact CZ2-CB 4.18Å; T339-F343 HydrophobicContact CG2-CD2 3.71Å; T339-F343 HydrophobicContact CG2-CE2 3.53Å; T339-F343 VanDerWaalsContact O-CD2 3.23Å; T339-F343 WeakPolarHBondContact O-CD2 3.31Å; T339-F343 PolarHBondContact O-N 3.3Å; I340-F343 PolarHBondContact O-N 2.8Å; F343-Q346 WeakPolarHBondContact O-CG 3.41Å; F343-Q346 PolarHBondContact O-NE2 3.49Å; F343-L353 HydrophobicContact CD1-CD1 3.81Å; F343-L353 HydrophobicContact CE1-CD1 3.36Å; F343-L353 HydrophobicContact CZ-CD1 4.33Å |
| 344 | V | 95.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -77.5 | -43.9 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | W123 I340 V341 I342 | W123-V344 HydrophobicContact CZ2-CG2 4Å; I340-V344 HydrophobicContact CG2-CG2 4.35Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.24Å; V341-V344 PolarHBondContact O-N 3.41Å; I342-V344 VanDerWaalsContact C-N 3.29Å; I342-V344 PolarHBondContact O-N 2.84Å |
| 345 | L | 96.3 | Very high | 95.8 | Very high | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.414 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.1 | -38.8 | -175.9 | -69.6 | -175.6 | 0 | 0 | 0 | 112.3 | V341 I342 E347 R348 I349 | V341-L345 HydrophobicContact CG1-CD1 3.48Å; V341-L345 VanDerWaalsContact CG1-CD1 3.48Å; V341-L345 HydrophobicContact CG1-CG 3.99Å; V341-L345 VanDerWaalsContact O-CB 3.27Å; V341-L345 WeakPolarHBondContact O-CB 3.43Å; V341-L345 VanDerWaalsContact O-CG 3.29Å; V341-L345 WeakPolarHBondContact O-CG 3.37Å; V341-L345 PolarHBondContact O-N 3.12Å; I342-L345 PolarHBondContact O-N 3.39Å; L345-E347 PolarHBondContact O-N 2.98Å; L345-R348 PolarHBondContact O-N 3.16Å; L345-R348 VanDerWaalsContact O-N 3.09Å; L345-I349 HydrophobicContact CB-CD1 4Å; L345-I349 WeakPolarHBondContact O-CB 3.36Å; L345-I349 VanDerWaalsContact O-CG1 3.25Å; L345-I349 WeakPolarHBondContact O-CG1 3.32Å; L345-I349 PolarHBondContact O-N 3.44Å |
| 346 | Q | 94.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.8 | -36.8 | -179.2 | 65.3 | 76.8 | 22.1 | 0 | 0 | 112.1 | I342 F343 F350 G351 L353 I356 | I342-Q346 VanDerWaalsContact O-CB 3.23Å; I342-Q346 WeakPolarHBondContact O-CB 3.17Å; I342-Q346 WeakPolarHBondContact O-CG 3.43Å; I342-Q346 PolarHBondContact O-N 2.96Å; F343-Q346 WeakPolarHBondContact O-CG 3.41Å; F343-Q346 PolarHBondContact O-NE2 3.49Å; Q346-F350 HydrophobicContact CB-CD2 4.47Å; Q346-F350 WeakPolarHBondContact O-CA 3.47Å; Q346-F350 WeakPolarHBondContact O-CB 3.49Å; Q346-F350 PolarHBondContact O-N 3.35Å; Q346-G351 PolarHBondContact O-N 3.5Å; Q346-L353 HydrophobicContact CB-CD2 4.27Å; Q346-L353 HydrophobicContact CG-CD2 3.76Å; Q346-L353 HydrophobicContact CG-CG 4.13Å; Q346-I356 HydrophobicContact CB-CD1 3.9Å |
| 347 | E | 91.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -44 | 178.4 | 178.5 | -178.3 | 176.1 | 0 | 0 | 110.6 | K116 S117 L345 G351 | K116-E347 HydrophobicContact CD-CG 3.78Å; K116-E347 HydrophobicContact CG-CG 4.06Å; S117-E347 WeakPolarHBondContact CA-OE2 3.48Å; S117-E347 WeakPolarHBondContact CB-OE1 3.2Å; S117-E347 PolarHBondContact N-OE1 3.25Å; L345-E347 PolarHBondContact O-N 2.98Å; E347-G351 WeakPolarHBondContact O-CA 3.14Å; E347-G351 PolarHBondContact O-N 3.41Å |
| 348 | R | 91.2 | Very high | 95.3 | Very high | 204 Ų | 204 | 49.3 Ų | 49.3 | 77% | 0.77 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -71.2 | -33.5 | -178.5 | -67.5 | -174.2 | 179.4 | -169.4 | 0.5 | 113 | L345 | L345-R348 PolarHBondContact O-N 3.16Å; L345-R348 VanDerWaalsContact O-N 3.09Å |
| 349 | I | 94.6 | Very high | 95.1 | Very high | 110 Ų | 110 | 47.2 Ų | 47.2 | 56% | 0.564 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -89.6 | -48.3 | -174.1 | -62 | 170.4 | 0 | 0 | 0 | 111 | L345 | L345-I349 HydrophobicContact CB-CD1 4Å; L345-I349 WeakPolarHBondContact O-CB 3.36Å; L345-I349 VanDerWaalsContact O-CG1 3.25Å; L345-I349 WeakPolarHBondContact O-CG1 3.32Å; L345-I349 PolarHBondContact O-N 3.44Å |
| 350 | F | 93.8 | Very high | 94.9 | Very high | 123 Ų | 123 | 47.5 Ų | 47.5 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -109.1 | -3.7 | -172.1 | -56.2 | -71 | 0 | 0 | 0 | 113.2 | Q346 G352 I356 | Q346-F350 HydrophobicContact CB-CD2 4.47Å; Q346-F350 WeakPolarHBondContact O-CA 3.47Å; Q346-F350 WeakPolarHBondContact O-CB 3.49Å; Q346-F350 PolarHBondContact O-N 3.35Å; F350-G352 VanDerWaalsContact C-N 3.26Å; F350-G352 PolarHBondContact O-N 3.26Å; F350-I356 HydrophobicContact CB-CD1 3.82Å; F350-I356 HydrophobicContact CB-CG1 3.59Å; F350-I356 HydrophobicContact CD2-CD1 3.63Å; F350-I356 HydrophobicContact CD2-CG1 4.14Å; F350-I356 HydrophobicContact CE2-CD1 4.49Å; F350-I356 HydrophobicContact CG-CD1 3.92Å; F350-I356 HydrophobicContact CG-CG1 3.9Å |
| 351 | G | 92.1 | Very high | 94.7 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 76.5 | 8.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K116 Q346 E347 | K116-G351 WeakPolarHBondContact CE-O 3.35Å; K116-G351 PolarHBondContact NZ-O 2.97Å; Q346-G351 PolarHBondContact O-N 3.5Å; E347-G351 WeakPolarHBondContact O-CA 3.14Å; E347-G351 PolarHBondContact O-N 3.41Å |
| 352 | G | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 137 | 157.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | F350 E354 I355 I356 | F350-G352 VanDerWaalsContact C-N 3.26Å; F350-G352 PolarHBondContact O-N 3.26Å; G352-E354 VanDerWaalsContact C-N 3.32Å; G352-E354 WeakPolarHBondContact CA-OE2 3.4Å; G352-E354 PolarHBondContact O-N 3.48Å; G352-I355 WeakPolarHBondContact O-CB 3.25Å; G352-I355 PolarHBondContact O-N 3.48Å; G352-I356 WeakPolarHBondContact O-CG1 3.44Å; G352-I356 PolarHBondContact O-N 3.28Å | ||
| 353 | L | 96 | Very high | 94.2 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.8 | -35.4 | 177.7 | -69.6 | -179.2 | 0 | 0 | 0 | 111.7 | L29 M32 Q126 A127 F343 Q346 I355 I356 E357 | L29-L353 HydrophobicContact CD2-CD1 3.72Å; L29-L353 HydrophobicContact CD2-CD2 4.34Å; M32-L353 HydrophobicContact CE-CD2 4.31Å; Q126-L353 HydrophobicContact CB-CB 4.02Å; Q126-L353 HydrophobicContact CB-CG 4.49Å; A127-L353 HydrophobicContact CB-CD1 4.02Å; F343-L353 HydrophobicContact CD1-CD1 3.81Å; F343-L353 HydrophobicContact CE1-CD1 3.36Å; F343-L353 HydrophobicContact CZ-CD1 4.33Å; Q346-L353 HydrophobicContact CB-CD2 4.27Å; Q346-L353 HydrophobicContact CG-CD2 3.76Å; Q346-L353 HydrophobicContact CG-CG 4.13Å; L353-I355 PolarHBondContact O-N 2.97Å; L353-I356 HydrophobicContact CD2-CD1 4.23Å; L353-I356 PolarHBondContact O-N 3.46Å; L353-E357 WeakPolarHBondContact O-CB 3.34Å; L353-E357 PolarHBondContact O-N 2.89Å |
| 354 | E | 94.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -30.7 | 177 | 78.2 | -78.5 | -157.6 | 0 | 0 | 111.5 | K116 A129 F132 M147 G352 L358 | K116-E354 IonicContact NZ-OE1 3.4Å; K116-E354 PolarHBondContact NZ-OE1 3.29Å; K116-E354 IonicContact NZ-OE2 3.58Å; K116-E354 PolarHBondContact NZ-OE2 3.44Å; A129-E354 HydrophobicContact CB-CB 4.46Å; F132-E354 WeakPolarHBondContact CD2-OE1 3.46Å; M147-E354 HydrophobicContact CE-CB 4.29Å; M147-E354 HydrophobicContact CE-CG 4.41Å; M147-E354 HydrophobicContact SD-CG 4.35Å; G352-E354 VanDerWaalsContact C-N 3.32Å; G352-E354 WeakPolarHBondContact CA-OE2 3.4Å; G352-E354 PolarHBondContact O-N 3.48Å; E354-L358 VanDerWaalsContact O-CB 3.27Å; E354-L358 WeakPolarHBondContact O-CB 3.25Å; E354-L358 PolarHBondContact O-N 3Å |
| 355 | I | 95.1 | Very high | 93 | Very high | 52 Ų | 52 | 54 Ų | 54 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.9 | -42.2 | 175.5 | -52.9 | -58.3 | 0 | 0 | 0 | 110.5 | H143 G352 L353 L358 A359 | H143-I355 VanDerWaalsContact CE1-CD1 3.43Å; H143-I355 WeakPolarHBondContact CE1-CD1 3.32Å; H143-I355 WeakPolarHBondContact ND1-CD1 3.15Å; G352-I355 WeakPolarHBondContact O-CB 3.25Å; G352-I355 PolarHBondContact O-N 3.48Å; L353-I355 PolarHBondContact O-N 2.97Å; I355-L358 PolarHBondContact O-N 3.38Å; I355-A359 WeakPolarHBondContact O-CB 3.49Å; I355-A359 PolarHBondContact O-N 2.65Å |
| 356 | I | 96 | Very high | 91.5 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.7 | -63.3 | 167.1 | 0 | 0 | 0 | 110.2 | M32 F33 Q346 F350 G352 L353 A359 C360 | M32-I356 HydrophobicContact SD-CB 4.26Å; M32-I356 HydrophobicContact SD-CG2 3.57Å; M32-I356 VanDerWaalsContact SD-CG2 3.57Å; F33-I356 HydrophobicContact CE1-CG2 4.05Å; F33-I356 HydrophobicContact CZ-CG2 4.07Å; Q346-I356 HydrophobicContact CB-CD1 3.9Å; F350-I356 HydrophobicContact CB-CD1 3.82Å; F350-I356 HydrophobicContact CB-CG1 3.59Å; F350-I356 HydrophobicContact CD2-CD1 3.63Å; F350-I356 HydrophobicContact CD2-CG1 4.14Å; F350-I356 HydrophobicContact CE2-CD1 4.49Å; F350-I356 HydrophobicContact CG-CD1 3.92Å; F350-I356 HydrophobicContact CG-CG1 3.9Å; G352-I356 WeakPolarHBondContact O-CG1 3.44Å; G352-I356 PolarHBondContact O-N 3.28Å; L353-I356 HydrophobicContact CD2-CD1 4.23Å; L353-I356 PolarHBondContact O-N 3.46Å; I356-A359 WeakPolarHBondContact O-CB 3.24Å; I356-A359 PolarHBondContact O-N 3.24Å; I356-C360 PolarHBondContact O-N 2.97Å; I356-C360 PolarHBondContact O-SG 2.93Å |
| 357 | E | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.7 | 176.5 | -171.1 | -175.9 | 0 | 0 | 111.7 | Y39 R40 Y150 L353 A359 C360 Y361 | Y39-E357 HydrophobicContact CD1-CG 4.05Å; Y39-E357 HydrophobicContact CE1-CB 4.31Å; Y39-E357 HydrophobicContact CE1-CG 4.03Å; R40-E357 IonicContact CZ-OE1 2.96Å; R40-E357 IonicContact CZ-OE2 3.27Å; R40-E357 IonicContact NE-OE1 3.64Å; R40-E357 PolarHBondContact NE-OE1 3.1Å; R40-E357 IonicContact NE-OE2 3.14Å; R40-E357 IonicContact NH2-OE1 2.6Å; R40-E357 PolarHBondContact NH2-OE1 3.43Å; R40-E357 IonicContact NH2-OE2 2.87Å; R40-E357 PolarHBondContact NH2-OE2 3.21Å; Y150-E357 PolarHBondContact OH-OE1 2.79Å; L353-E357 WeakPolarHBondContact O-CB 3.34Å; L353-E357 PolarHBondContact O-N 2.89Å; E357-A359 VanDerWaalsContact C-N 3.26Å; E357-A359 PolarHBondContact O-N 3.23Å; E357-C360 WeakPolarHBondContact O-CB 3.02Å; E357-C360 PolarHBondContact O-N 3.24Å; E357-C360 VanDerWaalsContact O-N 3.13Å; E357-Y361 WeakPolarHBondContact O-CB 3.29Å; E357-Y361 PolarHBondContact O-N 3.15Å |
| 358 | L | 94.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57 | -42.9 | 176 | 178.7 | 71.6 | 0 | 0 | 0 | 111.2 | D146 Y150 E354 I355 Y361 R362 | D146-L358 HydrophobicContact CB-CD2 3.71Å; D146-L358 WeakPolarHBondContact O-CD1 3.49Å; Y150-L358 HydrophobicContact CD2-CD1 4.31Å; Y150-L358 HydrophobicContact CG-CD1 3.99Å; E354-L358 VanDerWaalsContact O-CB 3.27Å; E354-L358 WeakPolarHBondContact O-CB 3.25Å; E354-L358 PolarHBondContact O-N 3Å; I355-L358 PolarHBondContact O-N 3.38Å; L358-Y361 PolarHBondContact O-N 3.48Å; L358-R362 WeakPolarHBondContact O-CB 3.37Å; L358-R362 VanDerWaalsContact O-CG 3.27Å; L358-R362 WeakPolarHBondContact O-CG 2.95Å; L358-R362 PolarHBondContact O-N 3.39Å |
| 359 | A | 94.6 | Very high | 84.5 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I355 I356 E357 Y361 R362 L363 | I355-A359 WeakPolarHBondContact O-CB 3.49Å; I355-A359 PolarHBondContact O-N 2.65Å; I356-A359 WeakPolarHBondContact O-CB 3.24Å; I356-A359 PolarHBondContact O-N 3.24Å; E357-A359 VanDerWaalsContact C-N 3.26Å; E357-A359 PolarHBondContact O-N 3.23Å; A359-Y361 PolarHBondContact O-N 2.7Å; A359-R362 PolarHBondContact O-N 2.88Å; A359-L363 WeakPolarHBondContact O-CB 3.47Å; A359-L363 VanDerWaalsContact O-CG 3.26Å; A359-L363 WeakPolarHBondContact O-CG 3.42Å; A359-L363 PolarHBondContact O-N 3.46Å |
| 360 | C | 94.1 | Very high | 81.8 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.1 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | M32 F33 I356 E357 L363 L364 | M32-C360 WeakPolarHBondContact O-CB 3.46Å; F33-C360 WeakPolarHBondContact CD1-SG 3.49Å; F33-C360 VanDerWaalsContact CE1-SG 3.5Å; I356-C360 PolarHBondContact O-N 2.97Å; I356-C360 PolarHBondContact O-SG 2.93Å; E357-C360 WeakPolarHBondContact O-CB 3.02Å; E357-C360 PolarHBondContact O-N 3.24Å; E357-C360 VanDerWaalsContact O-N 3.13Å; C360-L363 PolarHBondContact O-N 3.01Å; C360-L364 WeakPolarHBondContact O-CB 3.4Å; C360-L364 WeakPolarHBondContact O-CG 3.37Å; C360-L364 PolarHBondContact O-N 3.33Å |
| 361 | Y | 92.6 | Very high | 79 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.9 | -51.8 | 175.5 | 177.8 | -101.2 | 0 | 0 | 0 | 111.3 | P36 Y150 D153 I154 E357 L358 A359 L363 L364 H365 | P36-Y361 HydrophobicContact CB-CD2 4.1Å; P36-Y361 HydrophobicContact CG-CD2 4.48Å; Y150-Y361 AromaticContact CD2-CD1 3.53Å; Y150-Y361 HydrophobicContact CD2-CD1 3.53Å; Y150-Y361 HydrophobicContact CD2-CD2 4.17Å; Y150-Y361 HydrophobicContact CD2-CE1 4.02Å; Y150-Y361 AromaticContact CD2-CG 3.63Å; Y150-Y361 HydrophobicContact CD2-CG 3.63Å; Y150-Y361 AromaticContact CE2-CD1 3.89Å; Y150-Y361 HydrophobicContact CE2-CD1 3.89Å; Y150-Y361 AromaticContact CE2-CD2 3.68Å; Y150-Y361 HydrophobicContact CE2-CD2 3.68Å; Y150-Y361 HydrophobicContact CE2-CE1 4.48Å; Y150-Y361 HydrophobicContact CE2-CE2 4.3Å; Y150-Y361 AromaticContact CE2-CG 3.45Å; Y150-Y361 HydrophobicContact CE2-CG 3.45Å; Y150-Y361 VanDerWaalsContact CE2-CG 3.45Å; D153-Y361 HydrophobicContact CB-CE1 3.92Å; D153-Y361 WeakPolarHBondContact CB-OH 3.1Å; I154-Y361 HydrophobicContact CG2-CD2 4.04Å; I154-Y361 HydrophobicContact CG2-CE2 3.62Å; E357-Y361 WeakPolarHBondContact O-CB 3.29Å; E357-Y361 PolarHBondContact O-N 3.15Å; L358-Y361 PolarHBondContact O-N 3.48Å; A359-Y361 PolarHBondContact O-N 2.7Å; Y361-L363 VanDerWaalsContact C-N 3.35Å; Y361-L363 PolarHBondContact O-N 3.25Å; Y361-L364 PolarHBondContact O-N 2.91Å; Y361-H365 AromaticContact CD2-CE1 3.91Å; Y361-H365 AromaticContact CD2-CG 4Å; Y361-H365 AromaticContact CD2-ND1 3.53Å; Y361-H365 HydrophobicContact CE1-CB 4.36Å; Y361-H365 HydrophobicContact CE2-CB 4.06Å; Y361-H365 AromaticContact CE2-CD2 3.82Å; Y361-H365 AromaticContact CE2-CE1 3.8Å; Y361-H365 AromaticContact CE2-CG 3.53Å; Y361-H365 AromaticContact CE2-ND1 3.51Å; Y361-H365 AromaticContact CE2-NE2 3.99Å; Y361-H365 AromaticContact CZ-CG 3.91Å; Y361-H365 WeakPolarHBondContact O-CB 3.28Å; Y361-H365 PolarHBondContact O-N 2.94Å; Y361-H365 PolarHBondContact O-ND1 3.29Å |
| 362 | R | 92.1 | Very high | 76.2 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 178.3 | -73.2 | 169.3 | 174.3 | -170.9 | -10.3 | 112.1 | D146 L358 A359 L364 K366 | D146-R362 IonicContact OD1-CZ 3.86Å; D146-R362 IonicContact OD1-NH1 2.51Å; D146-R362 IonicContact OD1-NH2 2.89Å; D146-R362 PolarHBondContact OD1-NH2 3.13Å; D146-R362 IonicContact OD2-CZ 2.63Å; D146-R362 IonicContact OD2-NH1 3.98Å; D146-R362 PolarHBondContact OD2-NH1 3.38Å; D146-R362 IonicContact OD2-NH2 3.81Å; D146-R362 PolarHBondContact OD2-NH2 2.84Å; L358-R362 WeakPolarHBondContact O-CB 3.37Å; L358-R362 VanDerWaalsContact O-CG 3.27Å; L358-R362 WeakPolarHBondContact O-CG 2.95Å; L358-R362 PolarHBondContact O-N 3.39Å; A359-R362 PolarHBondContact O-N 2.88Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-L364 PolarHBondContact O-N 3.23Å; R362-K366 HydrophobicContact CB-CD 4.47Å; R362-K366 WeakPolarHBondContact O-CB 3.43Å; R362-K366 PolarHBondContact O-N 2.96Å |
| 363 | L | 91.8 | Very high | 73.5 | Confident | 128 Ų | 128 | 74.9 Ų | 74.9 | 67% | 0.67 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 179.2 | -73.8 | 170.9 | 0 | 0 | 0 | 112.4 | A359 C360 Y361 | A359-L363 WeakPolarHBondContact O-CB 3.47Å; A359-L363 VanDerWaalsContact O-CG 3.26Å; A359-L363 WeakPolarHBondContact O-CG 3.42Å; A359-L363 PolarHBondContact O-N 3.46Å; C360-L363 PolarHBondContact O-N 3.01Å; Y361-L363 VanDerWaalsContact C-N 3.35Å; Y361-L363 PolarHBondContact O-N 3.25Å |
| 364 | L | 88.2 | Confident | 70.8 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 41% | 0.414 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -81.2 | -31.6 | -178.1 | -67.8 | 170.4 | 0 | 0 | 0 | 113.2 | P36 C360 Y361 R362 | P36-L364 VanDerWaalsContact CD-CD1 3.41Å; P36-L364 HydrophobicContact CG-CD1 3.65Å; C360-L364 WeakPolarHBondContact O-CB 3.4Å; C360-L364 WeakPolarHBondContact O-CG 3.37Å; C360-L364 PolarHBondContact O-N 3.33Å; Y361-L364 PolarHBondContact O-N 2.91Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-L364 PolarHBondContact O-N 3.23Å |
| 365 | H | 79.8 | Confident | 68 | Low | 83 Ų | 83 | 90.3 Ų | 90.3 | 38% | 0.384 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -107.7 | -15.2 | -172 | -66.8 | 74.8 | 0 | 0 | 0 | 115 | Y361 Q367 P368 | Y361-H365 AromaticContact CD2-CE1 3.91Å; Y361-H365 AromaticContact CD2-CG 4Å; Y361-H365 AromaticContact CD2-ND1 3.53Å; Y361-H365 HydrophobicContact CE1-CB 4.36Å; Y361-H365 HydrophobicContact CE2-CB 4.06Å; Y361-H365 AromaticContact CE2-CD2 3.82Å; Y361-H365 AromaticContact CE2-CE1 3.8Å; Y361-H365 AromaticContact CE2-CG 3.53Å; Y361-H365 AromaticContact CE2-ND1 3.51Å; Y361-H365 AromaticContact CE2-NE2 3.99Å; Y361-H365 AromaticContact CZ-CG 3.91Å; Y361-H365 WeakPolarHBondContact O-CB 3.28Å; Y361-H365 PolarHBondContact O-N 2.94Å; Y361-H365 PolarHBondContact O-ND1 3.29Å; H365-Q367 VanDerWaalsContact C-N 3.27Å; H365-Q367 PolarHBondContact O-N 3.02Å; H365-P368 WeakPolarHBondContact O-CD 3.45Å |
| 366 | K | 63.9 | Low | 65.2 | Low | 139 Ų | 139 | 99.6 Ų | 99.6 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -81.8 | 3.8 | 171.3 | -71.8 | -170.9 | 170.5 | -176.8 | 0 | 114.2 | R362 | R362-K366 HydrophobicContact CB-CD 4.47Å; R362-K366 WeakPolarHBondContact O-CB 3.43Å; R362-K366 PolarHBondContact O-N 2.96Å |
| 367 | Q | 50.8 | Low | 63.7 | Low | 153 Ų | 153 | 103.4 Ų | 103.4 | 72% | 0.715 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.8 | 176.4 | -75.8 | -162.9 | -8.4 | 0 | 0 | 117.8 | H365 | H365-Q367 VanDerWaalsContact C-N 3.27Å; H365-Q367 PolarHBondContact O-N 3.02Å |
| 368 | P | 44 | Very low | 62 | Low | 87 Ų | 87 | 108.8 Ų | 108.8 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -25.8 | 175.4 | -11.1 | 27.1 | 0 | 0 | 0 | 115.3 | H365 | H365-P368 WeakPolarHBondContact O-CD 3.45Š|
| 369 | H | 36.5 | Very low | 60.3 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -6.3 | -168 | -76 | -59.5 | 0 | 0 | 0 | 116.1 | ||
| 370 | L | 37.1 | Very low | 58.2 | Low | 141 Ų | 141 | 118.4 Ų | 118.4 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -14.1 | 174.9 | -82.3 | 157.5 | 0 | 0 | 0 | 113.4 | ||
| 371 | N | 34.6 | Very low | 56 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -93.2 | -14.6 | 176.7 | -80.4 | -13.4 | 0 | 0 | 0 | 114 | ||
| 372 | S | 34.8 | Very low | 53.6 | Low | 72 Ų | 72 | 132.1 Ų | 132.1 | 50% | 0.503 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -83.5 | -17 | 176 | 74.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 373 | K | 36.8 | Very low | 50.8 | Low | 179 Ų | 179 | 136.5 Ų | 136.5 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -92.4 | 8.5 | 177.3 | -80.8 | -170.1 | 174.3 | -175.3 | 0 | 114.6 | ||
| 374 | K | 39 | Very low | 47.7 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -103.3 | -1.4 | 174 | -91.5 | -175 | 174.5 | -179.2 | 0 | 114.2 | ||
| 375 | N | 37.8 | Very low | 44.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | trans | -126.8 | 30.4 | -179.4 | -76.5 | -3.1 | 0 | 0 | 0 | 113 | ||||
| 376 | E | 36.1 | Very low | 41 | Very low | 247 Ų | 247 | 147.4 Ų | 147.4 | 100% | 1.154 | 73% | 0.727 | S | S | * | * | trans | -114.7 | 0 | 162.4 | -78.8 | -174.3 | 168.4 | 0 | 0 | 110.4 |
Retrieved 376 of 376 residues in 174.7 ms
(Link to these results)