| 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 | 48.7 | Very low | 70.3 | Confident | 149 Ų | 149 | 71.5 Ų | 71.5 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | 0 | 122 | 0 | -75.8 | -177.2 | -94.7 | 0 | 0 | 108.4 | W154 R157 | M1-W154 VanDerWaalsContact C-CE3 3.48Å; M1-W154 VanDerWaalsContact C-CZ3 3.47Å; M1-W154 VanDerWaalsContact N-CE3 3.33Å; M1-W154 VanDerWaalsContact N-CZ3 3.26Å; M1-W154 WeakPolarHBondContact O-CZ3 3.43Å; M1-R157 HydrophobicContact CB-CG 4.41Å | |||
| 2 | A | 50.9 | Low | 71.1 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -129 | 140.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109 | Y4 W154 R157 | A2-Y4 HydrophobicContact CB-CD1 3.76Å; A2-Y4 HydrophobicContact CB-CE1 3.57Å; A2-Y4 HydrophobicContact CB-CG 4.46Å; A2-W154 HydrophobicContact CB-CD2 4.09Å; A2-W154 HydrophobicContact CB-CE3 3.37Å; A2-W154 HydrophobicContact CB-CZ3 3.74Å; A2-R157 PolarHBondContact O-N 3.28Å |
| 3 | D | 57.1 | Low | 72.2 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -99.2 | 7.4 | 172.1 | 55.2 | -16.6 | 0 | 0 | 0 | 111.8 | ||
| 4 | Y | 65.7 | Low | 73.5 | Confident | 98 Ų | 98 | 69.8 Ų | 69.8 | 38% | 0.384 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -117.6 | 150.6 | -179.9 | 68.7 | -89.5 | 0 | 0 | 0 | 111.8 | A2 H6 | A2-Y4 HydrophobicContact CB-CD1 3.76Å; A2-Y4 HydrophobicContact CB-CE1 3.57Å; A2-Y4 HydrophobicContact CB-CG 4.46Å; Y4-H6 AromaticContact CE2-CD2 3.59Å; Y4-H6 AromaticContact CE2-CE1 3.52Å; Y4-H6 AromaticContact CE2-NE2 3.15Å; Y4-H6 WeakPolarHBondContact CE2-NE2 3.33Å; Y4-H6 AromaticContact CZ-CE1 3.99Å; Y4-H6 AromaticContact CZ-NE2 3.37Å; Y4-H6 PolarHBondContact OH-NE2 3.46Å |
| 5 | I | 76.4 | Confident | 74.9 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -80 | 125.6 | -180 | -64.6 | 171.1 | 0 | 0 | 0 | 109.9 | N89 K92 S93 V96 L211 Y240 | I5-N89 WeakPolarHBondContact CD1-OD1 2.98Å; I5-K92 HydrophobicContact CB-CB 4.07Å; I5-K92 HydrophobicContact CG2-CB 4.07Å; I5-S93 WeakPolarHBondContact CD1-OG 3.39Å; I5-V96 HydrophobicContact CG2-CB 4.39Å; I5-V96 HydrophobicContact CG2-CG2 3.51Å; I5-L211 HydrophobicContact CD1-CD1 3.65Å; I5-L211 HydrophobicContact CG1-CD1 4.17Å; I5-Y240 HydrophobicContact CG1-CD2 4.22Å; I5-Y240 HydrophobicContact CG1-CE2 3.97Å |
| 6 | H | 78.3 | Confident | 76.2 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 129.5 | 166 | -89.7 | -73.4 | 0 | 0 | 0 | 109.3 | Y4 V96 H151 | Y4-H6 AromaticContact CE2-CD2 3.59Å; Y4-H6 AromaticContact CE2-CE1 3.52Å; Y4-H6 AromaticContact CE2-NE2 3.15Å; Y4-H6 WeakPolarHBondContact CE2-NE2 3.33Å; Y4-H6 AromaticContact CZ-CE1 3.99Å; Y4-H6 AromaticContact CZ-NE2 3.37Å; Y4-H6 PolarHBondContact OH-NE2 3.46Å; H6-V96 VanDerWaalsContact O-CG2 3.3Å; H6-V96 WeakPolarHBondContact O-CG2 3.24Å; H6-H151 HydrophobicContact CB-CB 4.09Å; H6-H151 PolarHBondContact O-CD2 3.27Å; H6-H151 VanDerWaalsContact O-CD2 3.25Å |
| 7 | V | 79.9 | Confident | 77.4 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 127.5 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | A11 K92 R95 V96 | V7-A11 HydrophobicContact CG1-CB 3.49Å; V7-A11 VanDerWaalsContact CG1-CB 3.49Å; V7-K92 HydrophobicContact CG2-CB 3.75Å; V7-K92 HydrophobicContact CG2-CG 3.76Å; V7-R95 HydrophobicContact CG1-CB 3.79Å; V7-R95 HydrophobicContact CG2-CB 4.37Å; V7-V96 HydrophobicContact CB-CG2 4.42Å; V7-V96 HydrophobicContact CG2-CG2 4.22Å |
| 8 | P | 78.5 | Confident | 78.5 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 147.4 | 179.3 | 14.4 | -18.5 | 0 | 0 | 0 | 110.8 | E10 A11 A99 H151 | P8-E10 PolarHBondContact O-N 2.76Å; P8-E10 VanDerWaalsContact O-N 3.15Å; P8-A11 HydrophobicContact CG-CB 4.11Å; P8-A11 WeakPolarHBondContact O-CB 3.44Å; P8-A11 PolarHBondContact O-N 3.06Å; P8-A99 HydrophobicContact CG-CB 4.23Å; P8-H151 VanDerWaalsContact CB-CE1 3.42Å; P8-H151 WeakPolarHBondContact CB-CE1 3.29Å; P8-H151 VanDerWaalsContact CD-NE2 3.25Å; P8-H151 WeakPolarHBondContact CD-NE2 3.25Å; P8-H151 VanDerWaalsContact CG-CE1 3.43Å; P8-H151 WeakPolarHBondContact CG-CE1 3.37Å; P8-H151 VanDerWaalsContact CG-NE2 3.25Å; P8-H151 WeakPolarHBondContact CG-NE2 3.46Å |
| 9 | D | 79.1 | Confident | 79.4 | Confident | 172 Ų | 172 | 71.2 Ų | 71.2 | 92% | 0.92 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.6 | 180 | -65.2 | -30 | 0 | 0 | 0 | 112.3 | A11 | D9-A11 VanDerWaalsContact C-N 3.29Å; D9-A11 PolarHBondContact O-N 2.81Å |
| 10 | E | 78.8 | Confident | 80.2 | Confident | 182 Ų | 182 | 71.9 Ų | 71.9 | 85% | 0.85 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.5 | 177.2 | -60.9 | 155.4 | -158.9 | 0 | 0 | 113.2 | P8 | P8-E10 PolarHBondContact O-N 2.76Å; P8-E10 VanDerWaalsContact O-N 3.15Å |
| 11 | A | 79.6 | Confident | 80.9 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -69.1 | 127.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | V7 P8 D9 A13 R95 A99 | V7-A11 HydrophobicContact CG1-CB 3.49Å; V7-A11 VanDerWaalsContact CG1-CB 3.49Å; P8-A11 HydrophobicContact CG-CB 4.11Å; P8-A11 WeakPolarHBondContact O-CB 3.44Å; P8-A11 PolarHBondContact O-N 3.06Å; D9-A11 VanDerWaalsContact C-N 3.29Å; D9-A11 PolarHBondContact O-N 2.81Å; A11-A13 PolarHBondContact O-N 3.35Å; A11-R95 PolarHBondContact O-NH2 3.14Å; A11-A99 HydrophobicContact CB-CB 4.09Å |
| 12 | P | 80.2 | Confident | 82.8 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -49 | 136.7 | -179.1 | -28.4 | 34 | 0 | 0 | 0 | 112.6 | R95 | P12-R95 PolarHBondContact O-NE 3.18Å; P12-R95 PolarHBondContact O-NH2 2.93Å; P12-R95 VanDerWaalsContact O-NH2 3.15Å |
| 13 | A | 85 | Confident | 84.2 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 74% | 0.744 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 138.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A11 | A11-A13 PolarHBondContact O-N 3.35Š|
| 14 | V | 91.1 | Very high | 85.5 | Confident | 31 Ų | 31 | 72.4 Ų | 72.4 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | trans | -106.6 | 112 | 178.1 | 179 | 0 | 0 | 0 | 0 | 107.6 | R95 L106 T109 | V14-R95 HydrophobicContact CG2-CG 3.65Å; V14-L106 HydrophobicContact CB-CD2 4.46Å; V14-L106 HydrophobicContact CG1-CD2 3.97Å; V14-L106 HydrophobicContact CG1-CG 3.84Å; V14-L106 HydrophobicContact CG2-CB 4.37Å; V14-L106 HydrophobicContact CG2-CD2 3.79Å; V14-L106 HydrophobicContact CG2-CG 3.97Å; V14-T109 HydrophobicContact CG1-CG2 4.05Å | ||
| 15 | P | 94.3 | Very high | 86.7 | Confident | 69 Ų | 69 | 71.9 Ų | 71.9 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 144.7 | 178.9 | 27.4 | -33.8 | 0 | 0 | 0 | 110.6 | Y107 C108 T109 | P15-Y107 VanDerWaalsContact CD-O 3.29Å; P15-Y107 WeakPolarHBondContact CD-O 3.42Å; P15-Y107 WeakPolarHBondContact CG-O 3.3Å; P15-C108 HydrophobicContact CG-CB 3.94Å; P15-C108 CarbonylContact O-C 3.43Å; P15-C108 VanDerWaalsContact O-CA 3.25Å; P15-C108 WeakPolarHBondContact O-CA 3.45Å; P15-C108 VanDerWaalsContact O-CB 3.27Å; P15-C108 WeakPolarHBondContact O-CB 3.46Å; P15-T109 PolarHBondContact O-N 3.37Å |
| 16 | K | 95.8 | Very high | 87.3 | Confident | 155 Ų | 155 | 73.8 Ų | 73.8 | 67% | 0.674 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120 | 167.6 | -175.9 | 175.4 | -179.3 | 177.8 | 0 | 108.7 | T109 | K16-T109 WeakPolarHBondContact CA-O 3.47Å |
| 17 | I | 96.8 | Very high | 88 | Confident | 26 Ų | 26 | 77.5 Ų | 77.5 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.6 | 178.2 | -55.5 | -179.1 | 0 | 0 | 0 | 108.6 | V19 L33 E36 L37 C108 T109 F110 | I17-V19 HydrophobicContact CG2-CB 4.38Å; I17-V19 HydrophobicContact CG2-CG2 3.73Å; I17-V19 PolarHBondContact O-N 3.41Å; I17-L33 HydrophobicContact CB-CD2 4.23Å; I17-L33 HydrophobicContact CD1-CD2 4.22Å; I17-L33 HydrophobicContact CG2-CD2 4.17Å; I17-E36 HydrophobicContact CD1-CB 3.83Å; I17-E36 HydrophobicContact CD1-CG 4.25Å; I17-E36 HydrophobicContact CG2-CG 4.3Å; I17-L37 HydrophobicContact CD1-CD2 4.12Å; I17-L37 HydrophobicContact CD1-CG 4.36Å; I17-C108 HydrophobicContact CD1-CB 3.84Å; I17-C108 VanDerWaalsContact CD1-SG 3.59Å; I17-C108 HydrophobicContact CG1-CB 4.02Å; I17-T109 PolarHBondContact N-O 3.43Å; I17-F110 WeakPolarHBondContact O-CA 3.24Å; I17-F110 WeakPolarHBondContact O-CB 3.42Å |
| 18 | D | 96.8 | Very high | 88.7 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | trans | -77.4 | 74.5 | 178.1 | -172.3 | 24.6 | 0 | 0 | 0 | 111.6 | R32 N111 | D18-R32 PolarHBondContact O-NH2 2.62Å; D18-N111 PolarHBondContact OD1-ND2 3.1Å | ||
| 19 | V | 96.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.018 | 43% | 0.426 | C | S | . | . | trans | -134.3 | 133.6 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 108 | I17 V21 R32 L33 F110 N111 | I17-V19 HydrophobicContact CG2-CB 4.38Å; I17-V19 HydrophobicContact CG2-CG2 3.73Å; I17-V19 PolarHBondContact O-N 3.41Å; V19-V21 HydrophobicContact CG1-CG2 4.18Å; V19-R32 HydrophobicContact CG2-CB 4.01Å; V19-L33 HydrophobicContact CB-CD2 3.99Å; V19-L33 HydrophobicContact CB-CG 4.32Å; V19-L33 HydrophobicContact CG1-CD1 4.42Å; V19-L33 HydrophobicContact CG1-CD2 4.25Å; V19-L33 HydrophobicContact CG1-CG 4.03Å; V19-L33 HydrophobicContact CG2-CD2 4.21Å; V19-F110 WeakPolarHBondContact O-CB 3.36Å; V19-N111 WeakPolarHBondContact O-CB 3.48Å; V19-N111 PolarHBondContact O-N 2.96Å | ||
| 20 | T | 95.1 | Very high | 90.3 | Very high | 86 Ų | 86 | 71 Ų | 71 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | trans | -107.2 | 127.8 | 164.1 | -54.9 | 0 | 0 | 0 | 0 | 107.4 | N111 N112 | T20-N111 WeakPolarHBondContact OG1-CB 3.32Å; T20-N111 PolarHBondContact OG1-ND2 2.87Å; T20-N112 WeakPolarHBondContact CA-OD1 3.3Å | ||
| 21 | V | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | trans | -93.9 | 121.2 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | V19 Y26 L33 I76 F110 N112 | V19-V21 HydrophobicContact CG1-CG2 4.18Å; V21-Y26 HydrophobicContact CG1-CD1 4.16Å; V21-L33 HydrophobicContact CG2-CD1 3.71Å; V21-I76 HydrophobicContact CB-CD1 4.05Å; V21-I76 HydrophobicContact CB-CG1 4.23Å; V21-I76 HydrophobicContact CG1-CD1 3.59Å; V21-I76 HydrophobicContact CG1-CG1 4.27Å; V21-F110 HydrophobicContact CB-CE2 4.28Å; V21-F110 HydrophobicContact CG2-CD2 4.17Å; V21-F110 HydrophobicContact CG2-CE2 3.72Å; V21-F110 HydrophobicContact CG2-CZ 4.16Å; V21-N112 PolarHBondContact N-OD1 2.94Å; V21-N112 PolarHBondContact O-ND2 3.5Å | ||
| 22 | D | 89.4 | Confident | 91.9 | Very high | 89 Ų | 89 | 70.8 Ų | 70.8 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | trans | -67.7 | 137.5 | 178 | -166.8 | -49.4 | 0 | 0 | 0 | 110.1 | N24 D25 Y26 | D22-N24 VanDerWaalsContact C-N 3.31Å; D22-N24 WeakPolarHBondContact OD1-CB 3.44Å; D22-N24 PolarHBondContact OD1-N 3.42Å; D22-D25 CarbonylContact O-C 3.57Å; D22-D25 PolarHBondContact OD1-N 2.77Å; D22-Y26 WeakPolarHBondContact O-CA 3.23Å; D22-Y26 WeakPolarHBondContact O-CD1 3Å; D22-Y26 PolarHBondContact O-N 3.1Å | ||
| 23 | E | 80.4 | Confident | 92.7 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -75.9 | -15.5 | -179.8 | -76.2 | -162.7 | -141 | 0 | 0 | 114.6 | Y26 K58 | E23-Y26 WeakPolarHBondContact O-CE1 3.28Å; E23-Y26 PolarHBondContact O-OH 3.22Å; E23-K58 PolarHBondContact O-NZ 2.92Å; E23-K58 IonicContact OE2-NZ 3.5Å; E23-K58 PolarHBondContact OE2-NZ 3.18Å |
| 24 | N | 84.7 | Confident | 93.3 | Very high | 151 Ų | 151 | 63.2 Ų | 63.2 | 81% | 0.807 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -102.5 | -27.5 | 177.5 | -58.7 | -57.6 | 0 | 0 | 0 | 111.5 | D22 | D22-N24 VanDerWaalsContact C-N 3.31Å; D22-N24 WeakPolarHBondContact OD1-CB 3.44Å; D22-N24 PolarHBondContact OD1-N 3.42Å |
| 25 | D | 89.8 | Confident | 93.6 | Very high | 88 Ų | 88 | 69.1 Ų | 69.1 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | trans | -137.3 | 87.6 | 173.8 | -174.4 | 13.8 | 0 | 0 | 0 | 112.1 | D22 R27 P28 | D22-D25 CarbonylContact O-C 3.57Å; D22-D25 PolarHBondContact OD1-N 2.77Å; D25-R27 VanDerWaalsContact C-N 3.28Å; D25-R27 PolarHBondContact O-N 3.28Å; D25-R27 PolarHBondContact OD1-N 3.5Å; D25-P28 VanDerWaalsContact CG-CD 3.46Å; D25-P28 WeakPolarHBondContact O-CD 3.44Å; D25-P28 VanDerWaalsContact OD1-CD 3.27Å; D25-P28 WeakPolarHBondContact OD1-CD 3.45Å; D25-P28 WeakPolarHBondContact OD2-CD 3.36Å; D25-P28 WeakPolarHBondContact OD2-CG 3.36Å | ||
| 26 | Y | 90.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70 | -24.7 | -176.4 | -46 | -82.6 | 0 | 0 | 0 | 113.6 | V21 D22 E23 G29 A30 F50 K58 I76 | V21-Y26 HydrophobicContact CG1-CD1 4.16Å; D22-Y26 WeakPolarHBondContact O-CA 3.23Å; D22-Y26 WeakPolarHBondContact O-CD1 3Å; D22-Y26 PolarHBondContact O-N 3.1Å; E23-Y26 WeakPolarHBondContact O-CE1 3.28Å; E23-Y26 PolarHBondContact O-OH 3.22Å; Y26-G29 PolarHBondContact O-N 3.42Å; Y26-A30 WeakPolarHBondContact O-CB 3.19Å; Y26-A30 PolarHBondContact O-N 3.24Å; Y26-F50 AromaticContact CD2-CE1 3.73Å; Y26-F50 HydrophobicContact CD2-CE1 3.73Å; Y26-F50 AromaticContact CD2-CZ 3.74Å; Y26-F50 HydrophobicContact CD2-CZ 3.74Å; Y26-F50 AromaticContact CE2-CE1 3.82Å; Y26-F50 HydrophobicContact CE2-CE1 3.82Å; Y26-F50 HydrophobicContact CE2-CZ 4.08Å; Y26-F50 HydrophobicContact CG-CE1 4.35Å; Y26-K58 HydrophobicContact CE1-CD 3.87Å; Y26-K58 VanDerWaalsContact OH-CD 3.24Å; Y26-K58 WeakPolarHBondContact OH-CD 3.42Å; Y26-K58 WeakPolarHBondContact OH-CE 3.36Å; Y26-K58 PolarHBondContact OH-NZ 3.4Å; Y26-I76 HydrophobicContact CD1-CD1 3.3Å; Y26-I76 HydrophobicContact CE1-CD1 3.67Å; Y26-I76 HydrophobicContact CG-CD1 4.43Å |
| 27 | R | 91.8 | Very high | 93.7 | Very high | 130 Ų | 130 | 65.7 Ų | 65.7 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | -164 | 179.9 | 177.6 | -169.5 | 128.4 | 6 | 112.6 | D25 G29 A30 L31 M48 | D25-R27 VanDerWaalsContact C-N 3.28Å; D25-R27 PolarHBondContact O-N 3.28Å; D25-R27 PolarHBondContact OD1-N 3.5Å; R27-G29 PolarHBondContact O-N 2.94Å; R27-A30 PolarHBondContact O-N 2.91Å; R27-L31 HydrophobicContact CG-CD1 3.99Å; R27-L31 HydrophobicContact CG-CG 4.32Å; R27-L31 WeakPolarHBondContact O-CB 3.37Å; R27-L31 VanDerWaalsContact O-CG 3.3Å; R27-L31 WeakPolarHBondContact O-CG 3.45Å; R27-L31 PolarHBondContact O-N 3.22Å; R27-M48 HydrophobicContact CB-CE 4.42Å; R27-M48 HydrophobicContact CB-SD 4.15Å; R27-M48 HydrophobicContact CG-CE 3.91Å; R27-M48 HydrophobicContact CG-SD 3.99Å |
| 28 | P | 95.3 | Very high | 93.6 | Very high | 71 Ų | 71 | 66.4 Ų | 66.4 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 178.2 | -24.7 | 34.9 | 0 | 0 | 0 | 112.8 | D25 L31 R32 | D25-P28 VanDerWaalsContact CG-CD 3.46Å; D25-P28 WeakPolarHBondContact O-CD 3.44Å; D25-P28 VanDerWaalsContact OD1-CD 3.27Å; D25-P28 WeakPolarHBondContact OD1-CD 3.45Å; D25-P28 WeakPolarHBondContact OD2-CD 3.36Å; D25-P28 WeakPolarHBondContact OD2-CG 3.36Å; P28-L31 PolarHBondContact O-N 3.09Å; P28-R32 PolarHBondContact O-N 3.3Å; P28-R32 VanDerWaalsContact O-N 3.13Å |
| 29 | G | 95.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y26 R27 L31 R32 L33 | Y26-G29 PolarHBondContact O-N 3.42Å; R27-G29 PolarHBondContact O-N 2.94Å; G29-L31 PolarHBondContact O-N 3.2Å; G29-R32 WeakPolarHBondContact O-CB 3.4Å; G29-R32 PolarHBondContact O-N 3.47Å; G29-L33 WeakPolarHBondContact O-CG 3.43Å; G29-L33 PolarHBondContact O-N 2.95Å |
| 30 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y26 R27 R32 L33 M34 M48 L60 | Y26-A30 WeakPolarHBondContact O-CB 3.19Å; Y26-A30 PolarHBondContact O-N 3.24Å; R27-A30 PolarHBondContact O-N 2.91Å; A30-R32 PolarHBondContact O-N 2.74Å; A30-L33 WeakPolarHBondContact O-CB 3.36Å; A30-L33 PolarHBondContact O-N 3.41Å; A30-M34 WeakPolarHBondContact O-CG 3.33Å; A30-M34 PolarHBondContact O-N 3.14Å; A30-M48 HydrophobicContact CB-CE 3.66Å; A30-M48 HydrophobicContact CB-SD 4.44Å; A30-L60 HydrophobicContact CB-CD2 3.89Å |
| 31 | L | 96.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 68 Ų | 68 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -37 | 176.3 | -71 | 176.9 | 0 | 0 | 0 | 112.6 | R27 P28 G29 L33 M34 K35 P43 I46 M48 | R27-L31 HydrophobicContact CG-CD1 3.99Å; R27-L31 HydrophobicContact CG-CG 4.32Å; R27-L31 WeakPolarHBondContact O-CB 3.37Å; R27-L31 VanDerWaalsContact O-CG 3.3Å; R27-L31 WeakPolarHBondContact O-CG 3.45Å; R27-L31 PolarHBondContact O-N 3.22Å; P28-L31 PolarHBondContact O-N 3.09Å; G29-L31 PolarHBondContact O-N 3.2Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-M34 PolarHBondContact O-N 2.89Å; L31-K35 PolarHBondContact O-N 3.09Å; L31-P43 HydrophobicContact CD2-CB 4.34Å; L31-I46 HydrophobicContact CD2-CB 4.11Å; L31-I46 HydrophobicContact CD2-CD1 3.75Å; L31-I46 HydrophobicContact CD2-CG1 4.48Å; L31-I46 HydrophobicContact CD2-CG2 4.21Å; L31-M48 HydrophobicContact CD2-CE 3.89Å; L31-M48 HydrophobicContact CG-CE 3.9Å |
| 32 | R | 97 | Very high | 93.5 | Very high | 140 Ų | 140 | 73.8 Ų | 73.8 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 172.5 | -75.5 | -177.3 | 60.4 | -160.3 | -8.5 | 111.6 | D18 V19 P28 G29 A30 K35 | D18-R32 PolarHBondContact O-NH2 2.62Å; V19-R32 HydrophobicContact CG2-CB 4.01Å; P28-R32 PolarHBondContact O-N 3.3Å; P28-R32 VanDerWaalsContact O-N 3.13Å; G29-R32 WeakPolarHBondContact O-CB 3.4Å; G29-R32 PolarHBondContact O-N 3.47Å; A30-R32 PolarHBondContact O-N 2.74Å; R32-K35 WeakPolarHBondContact O-CB 3.21Å; R32-K35 PolarHBondContact O-N 3.42Å |
| 33 | L | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.1 | -67.9 | 165.4 | 0 | 0 | 0 | 111.4 | I17 V19 V21 G29 A30 L31 K35 E36 L37 V74 F110 | I17-L33 HydrophobicContact CB-CD2 4.23Å; I17-L33 HydrophobicContact CD1-CD2 4.22Å; I17-L33 HydrophobicContact CG2-CD2 4.17Å; V19-L33 HydrophobicContact CB-CD2 3.99Å; V19-L33 HydrophobicContact CB-CG 4.32Å; V19-L33 HydrophobicContact CG1-CD1 4.42Å; V19-L33 HydrophobicContact CG1-CD2 4.25Å; V19-L33 HydrophobicContact CG1-CG 4.03Å; V19-L33 HydrophobicContact CG2-CD2 4.21Å; V21-L33 HydrophobicContact CG2-CD1 3.71Å; G29-L33 WeakPolarHBondContact O-CG 3.43Å; G29-L33 PolarHBondContact O-N 2.95Å; A30-L33 WeakPolarHBondContact O-CB 3.36Å; A30-L33 PolarHBondContact O-N 3.41Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-K35 VanDerWaalsContact C-N 3.29Å; L33-K35 PolarHBondContact O-N 3.29Å; L33-E36 PolarHBondContact O-N 2.9Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 3.11Å; L33-V74 HydrophobicContact CD1-CG1 3.86Å; L33-F110 HydrophobicContact CD1-CD1 3.91Å; L33-F110 HydrophobicContact CD1-CE1 3.93Å; L33-F110 HydrophobicContact CD1-CG 4.28Å; L33-F110 HydrophobicContact CD1-CZ 4.33Å; L33-F110 HydrophobicContact CD2-CB 4.02Å; L33-F110 HydrophobicContact CD2-CD1 4.03Å; L33-F110 HydrophobicContact CD2-CG 4.17Å |
| 34 | M | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.2 | -32.5 | 179.6 | -66.5 | -49.6 | 95.1 | 0 | 0 | 112.7 | A30 L31 E36 L37 R38 W41 I46 C62 V72 V74 | A30-M34 WeakPolarHBondContact O-CG 3.33Å; A30-M34 PolarHBondContact O-N 3.14Å; L31-M34 PolarHBondContact O-N 2.89Å; M34-E36 VanDerWaalsContact C-N 3.25Å; M34-E36 PolarHBondContact O-N 3.47Å; M34-L37 HydrophobicContact CE-CD1 4.07Å; M34-L37 PolarHBondContact O-N 2.94Å; M34-R38 CarbonylContact O-C 3.56Å; M34-R38 WeakPolarHBondContact O-CA 3.42Å; M34-R38 PolarHBondContact O-N 3.31Å; M34-W41 HydrophobicContact CG-CE3 4.42Å; M34-W41 HydrophobicContact CG-CZ3 4.5Å; M34-W41 HydrophobicContact SD-CE3 4.2Å; M34-W41 HydrophobicContact SD-CZ3 3.81Å; M34-I46 HydrophobicContact CB-CD1 3.75Å; M34-I46 HydrophobicContact CG-CD1 4.08Å; M34-C62 HydrophobicContact CE-CB 4.36Å; M34-C62 HydrophobicContact CG-CB 3.92Å; M34-C62 HydrophobicContact SD-CB 3.53Å; M34-C62 VanDerWaalsContact SD-CB 3.53Å; M34-V72 HydrophobicContact CE-CB 3.93Å; M34-V72 HydrophobicContact CE-CG1 3.63Å; M34-V72 HydrophobicContact SD-CB 3.79Å; M34-V72 HydrophobicContact SD-CG1 4.18Å; M34-V72 HydrophobicContact SD-CG2 4.04Å; M34-V74 HydrophobicContact CE-CG2 3.95Å |
| 35 | K | 96.2 | Very high | 94.8 | Very high | 154 Ų | 154 | 71.9 Ų | 71.9 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.7 | -38.6 | 175 | -172.7 | -177.7 | 176.5 | -173.3 | 0 | 112.1 | L31 R32 L33 P39 | L31-K35 PolarHBondContact O-N 3.09Å; R32-K35 WeakPolarHBondContact O-CB 3.21Å; R32-K35 PolarHBondContact O-N 3.42Å; L33-K35 VanDerWaalsContact C-N 3.29Å; L33-K35 PolarHBondContact O-N 3.29Å; K35-P39 WeakPolarHBondContact O-CA 3.21Å |
| 36 | E | 96.1 | Very high | 95 | Very high | 125 Ų | 125 | 68.1 Ų | 68.1 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -78.8 | -43.8 | 177.6 | -60.6 | -58.1 | 142.7 | 0 | 0 | 111.9 | I17 L33 M34 | I17-E36 HydrophobicContact CD1-CB 3.83Å; I17-E36 HydrophobicContact CD1-CG 4.25Å; I17-E36 HydrophobicContact CG2-CG 4.3Å; L33-E36 PolarHBondContact O-N 2.9Å; M34-E36 VanDerWaalsContact C-N 3.25Å; M34-E36 PolarHBondContact O-N 3.47Å |
| 37 | L | 95.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -82.9 | -26.6 | -172.2 | -63.4 | -179 | 0 | 0 | 0 | 114.2 | I17 L33 M34 V72 C108 C115 | I17-L37 HydrophobicContact CD1-CD2 4.12Å; I17-L37 HydrophobicContact CD1-CG 4.36Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 3.11Å; M34-L37 HydrophobicContact CE-CD1 4.07Å; M34-L37 PolarHBondContact O-N 2.94Å; L37-V72 HydrophobicContact CD1-CG1 3.95Å; L37-C108 HydrophobicContact CD2-CB 4.15Å; L37-C115 HydrophobicContact CD1-CB 3.58Å |
| 38 | R | 95.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 66.8 Ų | 66.8 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | trans | -145.8 | 68 | -176.1 | -67.2 | -63.7 | -173.7 | -76.3 | -4.9 | 110.2 | M34 S40 W41 D70 V72 Y107 | M34-R38 CarbonylContact O-C 3.56Å; M34-R38 WeakPolarHBondContact O-CA 3.42Å; M34-R38 PolarHBondContact O-N 3.31Å; R38-S40 PolarHBondContact O-N 3.17Å; R38-W41 HydrophobicContact CB-CB 4.2Å; R38-W41 HydrophobicContact CB-CD2 3.48Å; R38-W41 VanDerWaalsContact CB-CD2 3.48Å; R38-W41 HydrophobicContact CB-CE3 3.84Å; R38-W41 HydrophobicContact CB-CG 3.63Å; R38-W41 HydrophobicContact CB-CZ2 4.43Å; R38-W41 HydrophobicContact CB-CZ3 4.44Å; R38-W41 HydrophobicContact CG-CD2 3.8Å; R38-W41 HydrophobicContact CG-CE3 4.02Å; R38-W41 HydrophobicContact CG-CG 4.39Å; R38-W41 HydrophobicContact CG-CH2 4.03Å; R38-W41 HydrophobicContact CG-CZ2 3.81Å; R38-W41 HydrophobicContact CG-CZ3 4.13Å; R38-W41 WeakPolarHBondContact O-CB 3.42Å; R38-W41 PolarHBondContact O-N 2.84Å; R38-D70 IonicContact CZ-OD1 2.75Å; R38-D70 IonicContact CZ-OD2 2.99Å; R38-D70 IonicContact NE-OD1 2.76Å; R38-D70 PolarHBondContact NE-OD1 3.01Å; R38-D70 IonicContact NE-OD2 2.71Å; R38-D70 PolarHBondContact NE-OD2 3.06Å; R38-D70 IonicContact NH2-OD1 3.16Å; R38-D70 PolarHBondContact NH2-OD1 2.91Å; R38-D70 IonicContact NH2-OD2 3.84Å; R38-V72 HydrophobicContact CG-CG2 4.2Å; R38-Y107 PolarHBondContact NH2-OH 3.42Å | ||
| 39 | P | 94.6 | Very high | 95.1 | Very high | 109 Ų | 109 | 68 Ų | 68 | 71% | 0.708 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.2 | -175.2 | 24.5 | -35.1 | 0 | 0 | 0 | 114.1 | K35 W41 | K35-P39 WeakPolarHBondContact O-CA 3.21Å; P39-W41 VanDerWaalsContact C-N 3.32Å |
| 40 | S | 94.8 | Very high | 94.8 | Very high | 102 Ų | 102 | 72.9 Ų | 72.9 | 71% | 0.713 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.2 | 175 | 56.1 | 0 | 0 | 0 | 0 | 114 | R38 | R38-S40 PolarHBondContact O-N 3.17Š|
| 41 | W | 95.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 75 Ų | 75 | 13% | 0.125 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -79.6 | 121.4 | 178.9 | -69.9 | 6.9 | 0 | 0 | 0 | 110.3 | M34 R38 P39 I46 C62 V64 D70 V72 | M34-W41 HydrophobicContact CG-CE3 4.42Å; M34-W41 HydrophobicContact CG-CZ3 4.5Å; M34-W41 HydrophobicContact SD-CE3 4.2Å; M34-W41 HydrophobicContact SD-CZ3 3.81Å; R38-W41 HydrophobicContact CB-CB 4.2Å; R38-W41 HydrophobicContact CB-CD2 3.48Å; R38-W41 VanDerWaalsContact CB-CD2 3.48Å; R38-W41 HydrophobicContact CB-CE3 3.84Å; R38-W41 HydrophobicContact CB-CG 3.63Å; R38-W41 HydrophobicContact CB-CZ2 4.43Å; R38-W41 HydrophobicContact CB-CZ3 4.44Å; R38-W41 HydrophobicContact CG-CD2 3.8Å; R38-W41 HydrophobicContact CG-CE3 4.02Å; R38-W41 HydrophobicContact CG-CG 4.39Å; R38-W41 HydrophobicContact CG-CH2 4.03Å; R38-W41 HydrophobicContact CG-CZ2 3.81Å; R38-W41 HydrophobicContact CG-CZ3 4.13Å; R38-W41 WeakPolarHBondContact O-CB 3.42Å; R38-W41 PolarHBondContact O-N 2.84Å; P39-W41 VanDerWaalsContact C-N 3.32Å; W41-I46 HydrophobicContact CB-CD1 4.09Å; W41-I46 HydrophobicContact CB-CG1 4.13Å; W41-I46 HydrophobicContact CE3-CD1 4.28Å; W41-I46 HydrophobicContact CE3-CG1 4.17Å; W41-C62 WeakPolarHBondContact CH2-O 3.41Å; W41-C62 HydrophobicContact CZ3-CB 4.38Å; W41-C62 WeakPolarHBondContact CZ3-O 3.42Å; W41-V64 HydrophobicContact CB-CG2 3.84Å; W41-V64 HydrophobicContact CD2-CB 4.4Å; W41-V64 HydrophobicContact CD2-CG2 3.57Å; W41-V64 HydrophobicContact CE3-CG2 3.93Å; W41-V64 HydrophobicContact CG-CB 4.46Å; W41-V64 HydrophobicContact CG-CG2 3.55Å; W41-D70 VanDerWaalsContact CH2-O 3.29Å; W41-D70 WeakPolarHBondContact CH2-O 3.33Å; W41-D70 HydrophobicContact CZ2-CB 4.07Å; W41-D70 WeakPolarHBondContact CZ2-O 3.36Å; W41-D70 WeakPolarHBondContact CZ2-OD2 3.18Å; W41-V72 HydrophobicContact CH2-CG2 4.13Å; W41-V72 HydrophobicContact CZ3-CG2 4.41Å |
| 42 | K | 94.4 | Very high | 92.9 | Very high | 122 Ų | 122 | 79 Ų | 79 | 53% | 0.53 | 40% | 0.4 | S | S | . | . | trans | -71.3 | 128.5 | 173.9 | -68 | 178.8 | -163.6 | 156.8 | 0 | 109.8 | S44 E45 I46 | K42-S44 PolarHBondContact O-N 2.74Å; K42-E45 HydrophobicContact CB-CB 4.37Å; K42-E45 HydrophobicContact CB-CG 4.14Å; K42-E45 WeakPolarHBondContact CD-OE1 3.27Å; K42-E45 IonicContact NZ-OE1 3.89Å; K42-E45 PolarHBondContact NZ-OE1 2.63Å; K42-E45 VanDerWaalsContact NZ-OE1 3.16Å; K42-E45 PolarHBondContact O-N 3.27Å; K42-I46 PolarHBondContact O-N 3.03Å | ||
| 43 | P | 93.6 | Very high | 91.4 | Very high | 84 Ų | 84 | 77.1 Ų | 77.1 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -30.9 | -178.5 | -29.7 | 36 | 0 | 0 | 0 | 115.3 | L31 E45 | L31-P43 HydrophobicContact CD2-CB 4.34Å; P43-E45 VanDerWaalsContact C-N 3.32Å |
| 44 | S | 93.4 | Very high | 89.7 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.7 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | K42 | K42-S44 PolarHBondContact O-N 2.74Š|
| 45 | E | 94.4 | Very high | 88.1 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 40% | 0.402 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -11.1 | -178.1 | -63.8 | 175.8 | -176 | 0 | 0 | 112.3 | K42 P43 K47 V64 | K42-E45 HydrophobicContact CB-CB 4.37Å; K42-E45 HydrophobicContact CB-CG 4.14Å; K42-E45 WeakPolarHBondContact CD-OE1 3.27Å; K42-E45 IonicContact NZ-OE1 3.89Å; K42-E45 PolarHBondContact NZ-OE1 2.63Å; K42-E45 VanDerWaalsContact NZ-OE1 3.16Å; K42-E45 PolarHBondContact O-N 3.27Å; P43-E45 VanDerWaalsContact C-N 3.32Å; E45-K47 PolarHBondContact O-N 3.15Å; E45-V64 HydrophobicContact CB-CG1 4.1Å |
| 46 | I | 95.4 | Very high | 86.3 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 5% | 0.046 | 41% | 0.409 | C | S | . | . | trans | -69.9 | 118.4 | 179.4 | -63.6 | 174.2 | 0 | 0 | 0 | 109.5 | L31 M34 W41 K42 M48 C62 V64 | L31-I46 HydrophobicContact CD2-CB 4.11Å; L31-I46 HydrophobicContact CD2-CD1 3.75Å; L31-I46 HydrophobicContact CD2-CG1 4.48Å; L31-I46 HydrophobicContact CD2-CG2 4.21Å; M34-I46 HydrophobicContact CB-CD1 3.75Å; M34-I46 HydrophobicContact CG-CD1 4.08Å; W41-I46 HydrophobicContact CB-CD1 4.09Å; W41-I46 HydrophobicContact CB-CG1 4.13Å; W41-I46 HydrophobicContact CE3-CD1 4.28Å; W41-I46 HydrophobicContact CE3-CG1 4.17Å; K42-I46 PolarHBondContact O-N 3.03Å; I46-M48 HydrophobicContact CG2-CE 4.33Å; I46-C62 HydrophobicContact CG2-CB 4.27Å; I46-V64 HydrophobicContact CG1-CG2 3.95Å | ||
| 47 | K | 94.3 | Very high | 85.2 | Confident | 96 Ų | 96 | 70 Ų | 70 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 148 | 170.7 | -63.9 | 176.5 | -177.7 | 173.4 | 0 | 109.3 | E45 C62 Y63 G65 | E45-K47 PolarHBondContact O-N 3.15Å; K47-C62 WeakPolarHBondContact O-CA 3.44Å; K47-Y63 HydrophobicContact CB-CD1 4.27Å; K47-Y63 HydrophobicContact CB-CD2 4.38Å; K47-Y63 HydrophobicContact CB-CE1 3.8Å; K47-Y63 HydrophobicContact CB-CE2 3.94Å; K47-Y63 HydrophobicContact CD-CE2 3.81Å; K47-Y63 HydrophobicContact CG-CE2 4.49Å; K47-Y63 PolarHBondContact N-O 3.36Å; K47-Y63 PolarHBondContact O-N 3.43Å; K47-G65 WeakPolarHBondContact CE-O 3.14Å; K47-G65 PolarHBondContact NZ-O 3.35Å |
| 48 | M | 93 | Very high | 84.5 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 23% | 0.232 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.9 | -179.7 | -68.6 | -179.2 | -179.6 | 0 | 0 | 109.1 | R27 A30 L31 I46 L60 G61 | R27-M48 HydrophobicContact CB-CE 4.42Å; R27-M48 HydrophobicContact CB-SD 4.15Å; R27-M48 HydrophobicContact CG-CE 3.91Å; R27-M48 HydrophobicContact CG-SD 3.99Å; A30-M48 HydrophobicContact CB-CE 3.66Å; A30-M48 HydrophobicContact CB-SD 4.44Å; L31-M48 HydrophobicContact CD2-CE 3.89Å; L31-M48 HydrophobicContact CG-CE 3.9Å; I46-M48 HydrophobicContact CG2-CE 4.33Å; M48-L60 HydrophobicContact CB-CD1 3.81Å; M48-L60 HydrophobicContact CB-CG 4.43Å; M48-L60 HydrophobicContact CG-CD1 4.46Å; M48-L60 HydrophobicContact CG-CD2 4.33Å; M48-L60 HydrophobicContact SD-CD2 4.02Å; M48-G61 CarbonylContact C-O 3.59Å; M48-G61 VanDerWaalsContact CA-O 3.31Å; M48-G61 WeakPolarHBondContact CA-O 3.39Å |
| 49 | K | 91.4 | Very high | 84.2 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.5 | 174.9 | 175.5 | 176.2 | 174.5 | -174.4 | 0 | 109.9 | F51 L60 G61 Y63 M68 | K49-F51 HydrophobicContact CD-CZ 4.35Å; K49-L60 CarbonylContact O-C 3.44Å; K49-G61 PolarHBondContact N-O 3.18Å; K49-G61 PolarHBondContact O-N 3.02Å; K49-Y63 HydrophobicContact CB-CE1 4.26Å; K49-M68 HydrophobicContact CB-CE 4.04Å; K49-M68 HydrophobicContact CD-CE 3.32Å; K49-M68 HydrophobicContact CD-SD 4.36Å; K49-M68 HydrophobicContact CG-CE 4.29Å |
| 50 | F | 88.2 | Confident | 84.1 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.6 | 172.9 | -67.2 | -85.6 | 0 | 0 | 0 | 111.1 | Y26 L60 | Y26-F50 AromaticContact CD2-CE1 3.73Å; Y26-F50 HydrophobicContact CD2-CE1 3.73Å; Y26-F50 AromaticContact CD2-CZ 3.74Å; Y26-F50 HydrophobicContact CD2-CZ 3.74Å; Y26-F50 AromaticContact CE2-CE1 3.82Å; Y26-F50 HydrophobicContact CE2-CE1 3.82Å; Y26-F50 HydrophobicContact CE2-CZ 4.08Å; Y26-F50 HydrophobicContact CG-CE1 4.35Å; F50-L60 HydrophobicContact CD1-CD1 3.9Å; F50-L60 HydrophobicContact CD2-CD1 4.22Å; F50-L60 HydrophobicContact CE1-CD1 3.77Å; F50-L60 HydrophobicContact CE2-CD1 4.09Å; F50-L60 HydrophobicContact CG-CD1 4.13Å; F50-L60 HydrophobicContact CZ-CD1 3.86Å |
| 51 | F | 82.6 | Confident | 84.1 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.9 | 169.1 | -62.5 | -90.2 | 0 | 0 | 0 | 107.7 | K49 L59 L73 F118 | K49-F51 HydrophobicContact CD-CZ 4.35Å; F51-L59 HydrophobicContact CB-CB 4.12Å; F51-L59 HydrophobicContact CB-CD2 3.93Å; F51-L59 HydrophobicContact CB-CG 4.15Å; F51-L59 HydrophobicContact CD2-CD2 4.28Å; F51-L59 HydrophobicContact CD2-CG 4.15Å; F51-L59 HydrophobicContact CG-CD2 4.26Å; F51-L59 HydrophobicContact CG-CG 4.49Å; F51-L59 PolarHBondContact N-O 3.37Å; F51-L73 HydrophobicContact CD2-CD2 4.06Å; F51-L73 HydrophobicContact CE2-CD2 3.66Å; F51-L73 HydrophobicContact CZ-CD2 4.41Å; F51-F118 AromaticContact CE1-CE2 3.89Å; F51-F118 HydrophobicContact CE1-CE2 3.89Å; F51-F118 HydrophobicContact CZ-CD2 4.15Å; F51-F118 AromaticContact CZ-CE2 3.62Å; F51-F118 HydrophobicContact CZ-CE2 3.62Å; F51-F118 HydrophobicContact CZ-CZ 4.42Å |
| 52 | T | 69.2 | Low | 84.1 | Confident | 126 Ų | 126 | 60.8 Ų | 60.8 | 77% | 0.773 | 33% | 0.325 | S | S | * | . | trans | -113.1 | 7.2 | -168.6 | 53.1 | 0 | 0 | 0 | 0 | 113.5 | G54 | T52-G54 VanDerWaalsContact C-N 3.33Å; T52-G54 PolarHBondContact O-N 2.99Å | ||
| 53 | D | 65.1 | Low | 84.2 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | trans | -78.3 | -12 | -173.9 | -68.4 | -77.4 | 0 | 0 | 0 | 114.4 | K219 | D53-K219 HydrophobicContact CB-CD 4.44Å; D53-K219 IonicContact OD1-NZ 2.74Å; D53-K219 PolarHBondContact OD1-NZ 2.74Å | ||
| 54 | G | 62.6 | Low | 84.2 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | trans | -95.8 | 141.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T52 | T52-G54 VanDerWaalsContact C-N 3.33Å; T52-G54 PolarHBondContact O-N 2.99Å | ||
| 55 | I | 63.5 | Low | 83.9 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -84.2 | -34.7 | 177.7 | 60.5 | -178.7 | 0 | 0 | 0 | 112.4 | L257 W318 I328 | I55-L257 HydrophobicContact CD1-CD2 4.27Å; I55-L257 HydrophobicContact CG2-CD2 4.38Å; I55-W318 HydrophobicContact CD1-CH2 3.69Å; I55-W318 HydrophobicContact CD1-CZ2 4.34Å; I55-I328 WeakPolarHBondContact O-CD1 3.26Å; I55-I328 VanDerWaalsContact O-CG1 3.28Å; I55-I328 WeakPolarHBondContact O-CG1 3.34Å |
| 56 | T | 59.1 | Low | 83.3 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -88.9 | -30.9 | -169.7 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | G78 T81 E236 | T56-G78 VanDerWaalsContact O-CA 3.27Å; T56-G78 WeakPolarHBondContact O-CA 3.48Å; T56-G78 PolarHBondContact O-N 3.11Å; T56-T81 HydrophobicContact CG2-CG2 3.47Å; T56-T81 VanDerWaalsContact CG2-CG2 3.47Å; T56-E236 PolarHBondContact OG1-OE1 3.35Å |
| 57 | N | 72.3 | Confident | 82.5 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | trans | -132.5 | 148.3 | -163.8 | -61.7 | -57.4 | 0 | 0 | 0 | 112 | R75 G78 E236 | N57-R75 HydrophobicContact CB-CG 3.84Å; N57-G78 PolarHBondContact OD1-N 3.29Å; N57-E236 PolarHBondContact ND2-OE2 2.85Å | ||
| 58 | K | 81.8 | Confident | 82 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.2 | 172.2 | -69.2 | 169.4 | 170.4 | 175.7 | 0 | 109.5 | E23 Y26 R75 I76 | E23-K58 PolarHBondContact O-NZ 2.92Å; E23-K58 IonicContact OE2-NZ 3.5Å; E23-K58 PolarHBondContact OE2-NZ 3.18Å; Y26-K58 HydrophobicContact CE1-CD 3.87Å; Y26-K58 VanDerWaalsContact OH-CD 3.24Å; Y26-K58 WeakPolarHBondContact OH-CD 3.42Å; Y26-K58 WeakPolarHBondContact OH-CE 3.36Å; Y26-K58 PolarHBondContact OH-NZ 3.4Å; K58-R75 WeakPolarHBondContact O-CA 3.46Å; K58-I76 HydrophobicContact CB-CB 4.43Å; K58-I76 PolarHBondContact N-O 3.46Å; K58-I76 PolarHBondContact O-N 2.9Å |
| 59 | L | 89.2 | Confident | 81.5 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.7 | -174.6 | -173.1 | 65.1 | 0 | 0 | 0 | 112 | F51 L73 R75 Y116 | F51-L59 HydrophobicContact CB-CB 4.12Å; F51-L59 HydrophobicContact CB-CD2 3.93Å; F51-L59 HydrophobicContact CB-CG 4.15Å; F51-L59 HydrophobicContact CD2-CD2 4.28Å; F51-L59 HydrophobicContact CD2-CG 4.15Å; F51-L59 HydrophobicContact CG-CD2 4.26Å; F51-L59 HydrophobicContact CG-CG 4.49Å; F51-L59 PolarHBondContact N-O 3.37Å; L59-L73 HydrophobicContact CD1-CB 4Å; L59-L73 HydrophobicContact CD1-CD1 4.4Å; L59-L73 HydrophobicContact CD1-CD2 4.15Å; L59-L73 HydrophobicContact CD1-CG 4.42Å; L59-L73 HydrophobicContact CD2-CD1 4.44Å; L59-L73 HydrophobicContact CD2-CD2 4.34Å; L59-L73 HydrophobicContact CG-CD2 4.16Å; L59-R75 HydrophobicContact CD1-CB 3.79Å; L59-R75 HydrophobicContact CD1-CG 4.34Å; L59-Y116 HydrophobicContact CD1-CE1 4.31Å; L59-Y116 WeakPolarHBondContact CD1-OH 3.36Å |
| 60 | L | 92.3 | Very high | 81.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.7 | -179.2 | -177.6 | 68.1 | 0 | 0 | 0 | 110.3 | A30 M48 K49 F50 L73 V74 | A30-L60 HydrophobicContact CB-CD2 3.89Å; M48-L60 HydrophobicContact CB-CD1 3.81Å; M48-L60 HydrophobicContact CB-CG 4.43Å; M48-L60 HydrophobicContact CG-CD1 4.46Å; M48-L60 HydrophobicContact CG-CD2 4.33Å; M48-L60 HydrophobicContact SD-CD2 4.02Å; K49-L60 CarbonylContact O-C 3.44Å; F50-L60 HydrophobicContact CD1-CD1 3.9Å; F50-L60 HydrophobicContact CD2-CD1 4.22Å; F50-L60 HydrophobicContact CE1-CD1 3.77Å; F50-L60 HydrophobicContact CE2-CD1 4.09Å; F50-L60 HydrophobicContact CG-CD1 4.13Å; F50-L60 HydrophobicContact CZ-CD1 3.86Å; L60-L73 CarbonylContact O-C 3.57Å; L60-L73 WeakPolarHBondContact O-CA 3.25Å; L60-V74 HydrophobicContact CB-CB 4.35Å; L60-V74 PolarHBondContact N-O 3.39Å; L60-V74 PolarHBondContact O-N 2.99Å |
| 61 | G | 94.5 | Very high | 81.9 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M48 K49 | M48-G61 CarbonylContact C-O 3.59Å; M48-G61 VanDerWaalsContact CA-O 3.31Å; M48-G61 WeakPolarHBondContact CA-O 3.39Å; K49-G61 PolarHBondContact N-O 3.18Å; K49-G61 PolarHBondContact O-N 3.02Å |
| 62 | C | 96 | Very high | 82.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.5 | 172.6 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | M34 W41 I46 K47 V71 V72 | M34-C62 HydrophobicContact CE-CB 4.36Å; M34-C62 HydrophobicContact CG-CB 3.92Å; M34-C62 HydrophobicContact SD-CB 3.53Å; M34-C62 VanDerWaalsContact SD-CB 3.53Å; W41-C62 WeakPolarHBondContact CH2-O 3.41Å; W41-C62 HydrophobicContact CZ3-CB 4.38Å; W41-C62 WeakPolarHBondContact CZ3-O 3.42Å; I46-C62 HydrophobicContact CG2-CB 4.27Å; K47-C62 WeakPolarHBondContact O-CA 3.44Å; C62-V71 WeakPolarHBondContact O-CA 3.48Å; C62-V72 PolarHBondContact N-O 3.49Å; C62-V72 PolarHBondContact O-N 2.94Å |
| 63 | Y | 95.9 | Very high | 83.8 | Confident | 35 Ų | 35 | 44.6 Ų | 44.6 | 14% | 0.137 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.5 | -178.8 | 65.8 | -77.9 | 0 | 0 | 0 | 112 | K47 K49 M68 V71 | K47-Y63 HydrophobicContact CB-CD1 4.27Å; K47-Y63 HydrophobicContact CB-CD2 4.38Å; K47-Y63 HydrophobicContact CB-CE1 3.8Å; K47-Y63 HydrophobicContact CB-CE2 3.94Å; K47-Y63 HydrophobicContact CD-CE2 3.81Å; K47-Y63 HydrophobicContact CG-CE2 4.49Å; K47-Y63 PolarHBondContact N-O 3.36Å; K47-Y63 PolarHBondContact O-N 3.43Å; K49-Y63 HydrophobicContact CB-CE1 4.26Å; Y63-M68 HydrophobicContact CD1-CE 4.14Å; Y63-M68 HydrophobicContact CD1-CG 4.18Å; Y63-M68 HydrophobicContact CD2-CG 3.99Å; Y63-M68 HydrophobicContact CE1-CE 3.4Å; Y63-M68 VanDerWaalsContact CE1-CE 3.4Å; Y63-M68 HydrophobicContact CE1-CG 4.2Å; Y63-M68 HydrophobicContact CE2-CE 4.25Å; Y63-M68 HydrophobicContact CE2-CG 3.97Å; Y63-M68 HydrophobicContact CG-CG 4.1Å; Y63-M68 VanDerWaalsContact CZ-CE 3.47Å; Y63-V71 HydrophobicContact CG-CG2 4.39Å |
| 64 | V | 93.8 | Very high | 85.3 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | trans | -115 | 153 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | W41 E45 I46 | W41-V64 HydrophobicContact CB-CG2 3.84Å; W41-V64 HydrophobicContact CD2-CB 4.4Å; W41-V64 HydrophobicContact CD2-CG2 3.57Å; W41-V64 HydrophobicContact CE3-CG2 3.93Å; W41-V64 HydrophobicContact CG-CB 4.46Å; W41-V64 HydrophobicContact CG-CG2 3.55Å; E45-V64 HydrophobicContact CB-CG1 4.1Å; I46-V64 HydrophobicContact CG1-CG2 3.95Å | ||
| 65 | G | 88.4 | Confident | 86.8 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 38% | 0.381 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 90.2 | -168.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K47 | K47-G65 WeakPolarHBondContact CE-O 3.14Å; K47-G65 PolarHBondContact NZ-O 3.35Å |
| 66 | A | 80.4 | Confident | 88 | Confident | 96 Ų | 96 | 35.6 Ų | 35.6 | 79% | 0.793 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -88.7 | -23 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 67 | V | 80.3 | Confident | 89.4 | Confident | 94 Ų | 94 | 36.6 Ų | 36.6 | 57% | 0.57 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -120.5 | 137.8 | -174.5 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | Q69 | V67-Q69 HydrophobicContact CB-CG 4.19Å; V67-Q69 HydrophobicContact CG1-CG 3.91Å; V67-Q69 PolarHBondContact O-N 3.14Å |
| 68 | M | 82.8 | Confident | 89.7 | Confident | 42 Ų | 42 | 36.5 Ų | 36.5 | 21% | 0.207 | 21% | 0.211 | C | C | . | . | trans | -72.8 | 66.8 | 175.9 | -76.4 | 178.4 | -173.4 | 0 | 0 | 111.3 | K49 Y63 V71 Q120 | K49-M68 HydrophobicContact CB-CE 4.04Å; K49-M68 HydrophobicContact CD-CE 3.32Å; K49-M68 HydrophobicContact CD-SD 4.36Å; K49-M68 HydrophobicContact CG-CE 4.29Å; Y63-M68 HydrophobicContact CD1-CE 4.14Å; Y63-M68 HydrophobicContact CD1-CG 4.18Å; Y63-M68 HydrophobicContact CD2-CG 3.99Å; Y63-M68 HydrophobicContact CE1-CE 3.4Å; Y63-M68 VanDerWaalsContact CE1-CE 3.4Å; Y63-M68 HydrophobicContact CE1-CG 4.2Å; Y63-M68 HydrophobicContact CE2-CE 4.25Å; Y63-M68 HydrophobicContact CE2-CG 3.97Å; Y63-M68 HydrophobicContact CG-CG 4.1Å; Y63-M68 VanDerWaalsContact CZ-CE 3.47Å; M68-V71 HydrophobicContact CB-CG2 3.56Å; M68-V71 HydrophobicContact CG-CG2 3.95Å; M68-Q120 PolarHBondContact O-NE2 3.24Å | ||
| 69 | Q | 83.4 | Confident | 89.2 | Confident | 162 Ų | 162 | 36.6 Ų | 36.6 | 76% | 0.757 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -87.7 | -57.9 | 178.1 | -71 | -175 | -12.4 | 0 | 0 | 111.9 | V67 | V67-Q69 HydrophobicContact CB-CG 4.19Å; V67-Q69 HydrophobicContact CG1-CG 3.91Å; V67-Q69 PolarHBondContact O-N 3.14Å |
| 70 | D | 91.6 | Very high | 88.3 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -105.2 | 102.5 | 172.7 | -175.3 | 15.3 | 0 | 0 | 0 | 108.3 | R38 W41 | R38-D70 IonicContact CZ-OD1 2.75Å; R38-D70 IonicContact CZ-OD2 2.99Å; R38-D70 IonicContact NE-OD1 2.76Å; R38-D70 PolarHBondContact NE-OD1 3.01Å; R38-D70 IonicContact NE-OD2 2.71Å; R38-D70 PolarHBondContact NE-OD2 3.06Å; R38-D70 IonicContact NH2-OD1 3.16Å; R38-D70 PolarHBondContact NH2-OD1 2.91Å; R38-D70 IonicContact NH2-OD2 3.84Å; W41-D70 VanDerWaalsContact CH2-O 3.29Å; W41-D70 WeakPolarHBondContact CH2-O 3.33Å; W41-D70 HydrophobicContact CZ2-CB 4.07Å; W41-D70 WeakPolarHBondContact CZ2-O 3.36Å; W41-D70 WeakPolarHBondContact CZ2-OD2 3.18Å |
| 71 | V | 95.2 | Very high | 87.5 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.6 | -178.6 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | C62 Y63 M68 F118 | C62-V71 WeakPolarHBondContact O-CA 3.48Å; Y63-V71 HydrophobicContact CG-CG2 4.39Å; M68-V71 HydrophobicContact CB-CG2 3.56Å; M68-V71 HydrophobicContact CG-CG2 3.95Å; V71-F118 HydrophobicContact CB-CB 3.6Å; V71-F118 HydrophobicContact CB-CD1 4.31Å; V71-F118 HydrophobicContact CB-CG 4.05Å; V71-F118 HydrophobicContact CG1-CB 3.98Å; V71-F118 HydrophobicContact CG1-CG 4.26Å; V71-F118 HydrophobicContact CG2-CB 4.43Å; V71-F118 HydrophobicContact CG2-CD1 4.24Å; V71-F118 HydrophobicContact CG2-CG 4.44Å; V71-F118 PolarHBondContact O-N 2.9Å |
| 72 | V | 96.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.3 | 170.1 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | M34 L37 R38 W41 C62 Y107 C115 | M34-V72 HydrophobicContact CE-CB 3.93Å; M34-V72 HydrophobicContact CE-CG1 3.63Å; M34-V72 HydrophobicContact SD-CB 3.79Å; M34-V72 HydrophobicContact SD-CG1 4.18Å; M34-V72 HydrophobicContact SD-CG2 4.04Å; L37-V72 HydrophobicContact CD1-CG1 3.95Å; R38-V72 HydrophobicContact CG-CG2 4.2Å; W41-V72 HydrophobicContact CH2-CG2 4.13Å; W41-V72 HydrophobicContact CZ3-CG2 4.41Å; C62-V72 PolarHBondContact N-O 3.49Å; C62-V72 PolarHBondContact O-N 2.94Å; V72-Y107 HydrophobicContact CB-CE2 4.49Å; V72-Y107 HydrophobicContact CG1-CD2 3.92Å; V72-Y107 HydrophobicContact CG1-CE2 4.23Å; V72-Y107 HydrophobicContact CG2-CD2 4.38Å; V72-Y107 HydrophobicContact CG2-CE2 4.06Å; V72-C115 HydrophobicContact CG1-CB 3.96Å |
| 73 | L | 96.1 | Very high | 85.7 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128 | 170.1 | -70.1 | 178.5 | 0 | 0 | 0 | 109.3 | F51 L59 L60 C115 Y116 F118 | F51-L73 HydrophobicContact CD2-CD2 4.06Å; F51-L73 HydrophobicContact CE2-CD2 3.66Å; F51-L73 HydrophobicContact CZ-CD2 4.41Å; L59-L73 HydrophobicContact CD1-CB 4Å; L59-L73 HydrophobicContact CD1-CD1 4.4Å; L59-L73 HydrophobicContact CD1-CD2 4.15Å; L59-L73 HydrophobicContact CD1-CG 4.42Å; L59-L73 HydrophobicContact CD2-CD1 4.44Å; L59-L73 HydrophobicContact CD2-CD2 4.34Å; L59-L73 HydrophobicContact CG-CD2 4.16Å; L60-L73 CarbonylContact O-C 3.57Å; L60-L73 WeakPolarHBondContact O-CA 3.25Å; L73-C115 CarbonylContact O-C 3.58Å; L73-C115 WeakPolarHBondContact O-CA 3.23Å; L73-Y116 HydrophobicContact CB-CD1 4.28Å; L73-Y116 HydrophobicContact CB-CD2 4.29Å; L73-Y116 HydrophobicContact CB-CE1 4.17Å; L73-Y116 HydrophobicContact CB-CE2 4.16Å; L73-Y116 HydrophobicContact CB-CG 4.36Å; L73-Y116 WeakPolarHBondContact CB-O 3.22Å; L73-Y116 HydrophobicContact CD1-CD2 3.94Å; L73-Y116 HydrophobicContact CD1-CE2 3.39Å; L73-Y116 HydrophobicContact CG-CE2 4.42Å; L73-Y116 PolarHBondContact N-O 3.08Å; L73-Y116 PolarHBondContact O-N 3.38Å; L73-F118 HydrophobicContact CD1-CB 4.31Å; L73-F118 HydrophobicContact CD1-CD2 4.06Å; L73-F118 HydrophobicContact CD2-CD2 3.94Å; L73-F118 HydrophobicContact CG-CB 4.06Å; L73-F118 HydrophobicContact CG-CD2 4.13Å |
| 74 | V | 95.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 107.5 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | L33 M34 L60 F110 | L33-V74 HydrophobicContact CD1-CG1 3.86Å; M34-V74 HydrophobicContact CE-CG2 3.95Å; L60-V74 HydrophobicContact CB-CB 4.35Å; L60-V74 PolarHBondContact N-O 3.39Å; L60-V74 PolarHBondContact O-N 2.99Å; V74-F110 HydrophobicContact CG1-CE1 3.93Å; V74-F110 HydrophobicContact CG1-CZ 3.81Å |
| 75 | R | 93.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.6 | 175.9 | -175.6 | 176.1 | 68.2 | 163.3 | 1.4 | 109.8 | N57 K58 L59 E90 F110 G113 L114 Y116 D234 | N57-R75 HydrophobicContact CB-CG 3.84Å; K58-R75 WeakPolarHBondContact O-CA 3.46Å; L59-R75 HydrophobicContact CD1-CB 3.79Å; L59-R75 HydrophobicContact CD1-CG 4.34Å; R75-E90 IonicContact CZ-OE1 3.91Å; R75-E90 IonicContact NH1-OE1 2.92Å; R75-E90 PolarHBondContact NH1-OE1 2.96Å; R75-E90 VanDerWaalsContact NH2-CD 3.32Å; R75-E90 IonicContact NH2-OE1 2.87Å; R75-E90 PolarHBondContact NH2-OE1 3.43Å; R75-E90 IonicContact NH2-OE2 3.62Å; R75-F110 WeakPolarHBondContact O-CZ 3.37Å; R75-G113 CarbonylContact O-C 3.2Å; R75-G113 WeakPolarHBondContact O-CA 3.32Å; R75-L114 HydrophobicContact CB-CG 4.37Å; R75-L114 PolarHBondContact N-O 2.83Å; R75-L114 PolarHBondContact O-N 2.71Å; R75-Y116 HydrophobicContact CB-CE1 3.73Å; R75-D234 IonicContact NH1-OD1 3.81Å; R75-D234 PolarHBondContact NH1-OD1 3.35Å; R75-D234 IonicContact NH1-OD2 2.8Å |
| 76 | I | 90.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.2 | 178.5 | -55.6 | 161.1 | 0 | 0 | 0 | 107.3 | V21 Y26 K58 F110 | V21-I76 HydrophobicContact CB-CD1 4.05Å; V21-I76 HydrophobicContact CB-CG1 4.23Å; V21-I76 HydrophobicContact CG1-CD1 3.59Å; V21-I76 HydrophobicContact CG1-CG1 4.27Å; Y26-I76 HydrophobicContact CD1-CD1 3.3Å; Y26-I76 HydrophobicContact CE1-CD1 3.67Å; Y26-I76 HydrophobicContact CG-CD1 4.43Å; K58-I76 HydrophobicContact CB-CB 4.43Å; K58-I76 PolarHBondContact N-O 3.46Å; K58-I76 PolarHBondContact O-N 2.9Å; I76-F110 HydrophobicContact CG1-CE2 4.5Å; I76-F110 HydrophobicContact CG1-CZ 4.27Å |
| 77 | Y | 87.6 | Confident | 85 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 139 | 179.7 | -58.8 | -43 | 0 | 0 | 0 | 110.8 | R87 N112 L114 | Y77-R87 VanDerWaalsContact CD1-CZ 3.42Å; Y77-R87 HydrophobicContact CE2-CG 4.33Å; Y77-N112 WeakPolarHBondContact CD2-O 3.31Å; Y77-N112 PolarHBondContact N-O 2.8Å; Y77-L114 HydrophobicContact CD1-CD2 4.36Å; Y77-L114 HydrophobicContact CE1-CD2 3.31Å; Y77-L114 WeakPolarHBondContact OH-CD2 3.09Å |
| 78 | G | 77.8 | Confident | 85.4 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 155 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | T56 N57 K80 T81 | T56-G78 VanDerWaalsContact O-CA 3.27Å; T56-G78 WeakPolarHBondContact O-CA 3.48Å; T56-G78 PolarHBondContact O-N 3.11Å; N57-G78 PolarHBondContact OD1-N 3.29Å; G78-K80 PolarHBondContact O-N 3.31Å; G78-T81 WeakPolarHBondContact O-CB 3.16Å; G78-T81 VanDerWaalsContact O-CG2 3.26Å; G78-T81 WeakPolarHBondContact O-CG2 3.25Å; G78-T81 PolarHBondContact O-N 3.23Å; G78-T81 PolarHBondContact O-OG1 2.92Å |
| 79 | N | 71.9 | Confident | 85.8 | Confident | 82 Ų | 82 | 46.5 Ų | 46.5 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 129.5 | 176.9 | -174.4 | 32.2 | 0 | 0 | 0 | 111.8 | T81 | N79-T81 PolarHBondContact O-N 3.5Å; N79-T81 VanDerWaalsContact O-N 3.12Å |
| 80 | K | 71.4 | Confident | 86.2 | Confident | 98 Ų | 98 | 38.8 Ų | 38.8 | 43% | 0.426 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16 | 178.1 | -62.2 | -178.4 | -178.5 | 173.4 | 0 | 116.2 | G78 E82 L83 | G78-K80 PolarHBondContact O-N 3.31Å; K80-E82 WeakPolarHBondContact CA-OE1 3.46Å; K80-E82 WeakPolarHBondContact CA-OE2 3.19Å; K80-E82 PolarHBondContact N-OE2 2.92Å; K80-E82 PolarHBondContact O-N 3.41Å; K80-L83 HydrophobicContact CB-CD1 4.13Å; K80-L83 WeakPolarHBondContact O-CB 3.33Å; K80-L83 WeakPolarHBondContact O-CG 3.46Å; K80-L83 PolarHBondContact O-N 3.44Å |
| 81 | T | 74.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -67.5 | -20.9 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | T56 G78 N79 L83 L84 V85 R87 | T56-T81 HydrophobicContact CG2-CG2 3.47Å; T56-T81 VanDerWaalsContact CG2-CG2 3.47Å; G78-T81 WeakPolarHBondContact O-CB 3.16Å; G78-T81 VanDerWaalsContact O-CG2 3.26Å; G78-T81 WeakPolarHBondContact O-CG2 3.25Å; G78-T81 PolarHBondContact O-N 3.23Å; G78-T81 PolarHBondContact O-OG1 2.92Å; N79-T81 PolarHBondContact O-N 3.5Å; N79-T81 VanDerWaalsContact O-N 3.12Å; T81-L83 PolarHBondContact O-N 3.46Å; T81-L83 VanDerWaalsContact O-N 3.13Å; T81-L84 PolarHBondContact O-N 2.98Å; T81-V85 PolarHBondContact O-N 3.35Å; T81-R87 PolarHBondContact OG1-NH2 2.91Å |
| 82 | E | 77 | Confident | 86 | Confident | 122 Ų | 122 | 41.1 Ų | 41.1 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -61.3 | -15.7 | 173 | 71 | -79.2 | -178.5 | 0 | 0 | 114.1 | K80 L84 | K80-E82 WeakPolarHBondContact CA-OE1 3.46Å; K80-E82 WeakPolarHBondContact CA-OE2 3.19Å; K80-E82 PolarHBondContact N-OE2 2.92Å; K80-E82 PolarHBondContact O-N 3.41Å; E82-L84 PolarHBondContact O-N 2.88Å |
| 83 | L | 76.9 | Confident | 85.8 | Confident | 75 Ų | 75 | 41.1 Ų | 41.1 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -67.1 | -26.2 | 171.6 | -65.7 | 177 | 0 | 0 | 0 | 112.5 | K80 T81 F325 | K80-L83 HydrophobicContact CB-CD1 4.13Å; K80-L83 WeakPolarHBondContact O-CB 3.33Å; K80-L83 WeakPolarHBondContact O-CG 3.46Å; K80-L83 PolarHBondContact O-N 3.44Å; T81-L83 PolarHBondContact O-N 3.46Å; T81-L83 VanDerWaalsContact O-N 3.13Å; L83-F325 HydrophobicContact CD1-CD2 4.4Å; L83-F325 HydrophobicContact CD1-CG 4.34Å |
| 84 | L | 82.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -25.3 | -172 | -59.2 | 176.1 | 0 | 0 | 0 | 112.9 | T81 E82 Y167 I321 Q322 | T81-L84 PolarHBondContact O-N 2.98Å; E82-L84 PolarHBondContact O-N 2.88Å; L84-Y167 HydrophobicContact CB-CE1 4.4Å; L84-Y167 HydrophobicContact CD2-CD1 3.81Å; L84-Y167 HydrophobicContact CD2-CE1 3.33Å; L84-Y167 HydrophobicContact CD2-CE2 4.4Å; L84-Y167 HydrophobicContact CG-CE1 4.46Å; L84-Y167 PolarHBondContact O-OH 2.94Å; L84-I321 HydrophobicContact CD1-CG2 4.5Å; L84-I321 HydrophobicContact CD2-CB 4.46Å; L84-I321 HydrophobicContact CD2-CD1 3.85Å; L84-I321 HydrophobicContact CD2-CG2 4.06Å; L84-Q322 HydrophobicContact CD1-CG 4.09Å; L84-Q322 VanDerWaalsContact CD1-NE2 3.27Å |
| 85 | V | 84.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -115.6 | 129 | -173.8 | -177.2 | 0 | 0 | 0 | 0 | 111 | T81 E236 Y237 | T81-V85 PolarHBondContact O-N 3.35Å; V85-E236 HydrophobicContact CG1-CB 4.01Å; V85-E236 HydrophobicContact CG2-CB 4.49Å; V85-E236 HydrophobicContact CG2-CG 4.48Å; V85-Y237 HydrophobicContact CG2-CE1 4.35Å | ||
| 86 | D | 88.7 | Confident | 85.4 | Confident | 97 Ų | 97 | 43.8 Ų | 43.8 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | trans | -90.3 | 105.5 | 171.2 | -176.7 | -29.7 | 0 | 0 | 0 | 109.5 | D88 N89 E90 | D86-D88 VanDerWaalsContact C-N 3.34Å; D86-D88 PolarHBondContact O-N 3.46Å; D86-D88 PolarHBondContact OD1-N 3.38Å; D86-N89 HydrophobicContact CB-CB 3.89Å; D86-N89 PolarHBondContact O-N 3.29Å; D86-N89 PolarHBondContact OD1-N 3.03Å; D86-E90 WeakPolarHBondContact O-CB 3.49Å; D86-E90 PolarHBondContact O-N 3.47Å | ||
| 87 | R | 88.5 | Confident | 85.6 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -31.3 | -175.5 | -59.4 | -57.2 | 179.5 | -172.4 | -3.1 | 113.1 | Y77 T81 E90 I91 E236 | Y77-R87 VanDerWaalsContact CD1-CZ 3.42Å; Y77-R87 HydrophobicContact CE2-CG 4.33Å; T81-R87 PolarHBondContact OG1-NH2 2.91Å; R87-E90 VanDerWaalsContact CD-OE2 3.24Å; R87-E90 WeakPolarHBondContact CD-OE2 3.33Å; R87-E90 IonicContact CZ-OE2 3.38Å; R87-E90 IonicContact NE-OE2 2.59Å; R87-E90 IonicContact NH1-OE1 3.44Å; R87-E90 IonicContact NH1-OE2 3.95Å; R87-E90 PolarHBondContact NH1-OE2 3.16Å; R87-I91 WeakPolarHBondContact O-CD1 3.38Å; R87-I91 VanDerWaalsContact O-CG1 3.26Å; R87-I91 WeakPolarHBondContact O-CG1 3.47Å; R87-I91 PolarHBondContact O-N 2.83Å; R87-E236 IonicContact NH1-OE2 3.7Å |
| 88 | D | 88.8 | Confident | 85.8 | Confident | 111 Ų | 111 | 44.2 Ų | 44.2 | 59% | 0.594 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -70.2 | -41.8 | 176.5 | -74.9 | -17.5 | 0 | 0 | 0 | 110.4 | D86 I91 K92 | D86-D88 VanDerWaalsContact C-N 3.34Å; D86-D88 PolarHBondContact O-N 3.46Å; D86-D88 PolarHBondContact OD1-N 3.38Å; D88-I91 PolarHBondContact O-N 2.79Å; D88-K92 VanDerWaalsContact O-CG 3.25Å; D88-K92 WeakPolarHBondContact O-CG 3.46Å; D88-K92 PolarHBondContact O-N 3.33Å |
| 89 | N | 89.6 | Confident | 86.5 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -42.9 | 174.6 | -176.3 | 70.1 | 0 | 0 | 0 | 111.7 | I5 D86 I91 K92 S93 A238 | I5-N89 WeakPolarHBondContact CD1-OD1 2.98Å; D86-N89 HydrophobicContact CB-CB 3.89Å; D86-N89 PolarHBondContact O-N 3.29Å; D86-N89 PolarHBondContact OD1-N 3.03Å; N89-I91 PolarHBondContact O-N 3.2Å; N89-K92 PolarHBondContact O-N 3.48Å; N89-S93 WeakPolarHBondContact O-CB 3.43Å; N89-S93 PolarHBondContact O-N 3.48Å; N89-S93 PolarHBondContact O-OG 3.08Å; N89-S93 VanDerWaalsContact O-OG 3.12Å; N89-A238 PolarHBondContact ND2-O 3.06Å |
| 90 | E | 91.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.2 | -49.4 | 174.4 | 171.6 | 174.4 | -136.4 | 0 | 0 | 112.1 | R75 D86 R87 K92 S93 F94 E236 | R75-E90 IonicContact CZ-OE1 3.91Å; R75-E90 IonicContact NH1-OE1 2.92Å; R75-E90 PolarHBondContact NH1-OE1 2.96Å; R75-E90 VanDerWaalsContact NH2-CD 3.32Å; R75-E90 IonicContact NH2-OE1 2.87Å; R75-E90 PolarHBondContact NH2-OE1 3.43Å; R75-E90 IonicContact NH2-OE2 3.62Å; D86-E90 WeakPolarHBondContact O-CB 3.49Å; D86-E90 PolarHBondContact O-N 3.47Å; R87-E90 VanDerWaalsContact CD-OE2 3.24Å; R87-E90 WeakPolarHBondContact CD-OE2 3.33Å; R87-E90 IonicContact CZ-OE2 3.38Å; R87-E90 IonicContact NE-OE2 2.59Å; R87-E90 IonicContact NH1-OE1 3.44Å; R87-E90 IonicContact NH1-OE2 3.95Å; R87-E90 PolarHBondContact NH1-OE2 3.16Å; E90-K92 VanDerWaalsContact C-N 3.33Å; E90-K92 PolarHBondContact O-N 3.32Å; E90-S93 WeakPolarHBondContact O-CB 3.48Å; E90-S93 PolarHBondContact O-N 3.26Å; E90-F94 WeakPolarHBondContact O-CB 3.29Å; E90-F94 PolarHBondContact O-N 3.43Å; E90-E236 VanDerWaalsContact OE1-CA 3.28Å; E90-E236 WeakPolarHBondContact OE1-CA 3.33Å; E90-E236 VanDerWaalsContact OE1-CB 3.22Å; E90-E236 WeakPolarHBondContact OE1-CB 3.3Å |
| 91 | I | 91.9 | Very high | 88.5 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 179 | -66.8 | 159.4 | 0 | 0 | 0 | 110.8 | R87 D88 N89 F94 R95 L106 T109 | R87-I91 WeakPolarHBondContact O-CD1 3.38Å; R87-I91 VanDerWaalsContact O-CG1 3.26Å; R87-I91 WeakPolarHBondContact O-CG1 3.47Å; R87-I91 PolarHBondContact O-N 2.83Å; D88-I91 PolarHBondContact O-N 2.79Å; N89-I91 PolarHBondContact O-N 3.2Å; I91-F94 PolarHBondContact O-N 2.81Å; I91-R95 WeakPolarHBondContact O-CG 3.37Å; I91-R95 PolarHBondContact O-N 3.25Å; I91-L106 HydrophobicContact CG2-CD2 4.47Å; I91-T109 HydrophobicContact CD1-CG2 3.75Å; I91-T109 HydrophobicContact CG1-CG2 3.97Å |
| 92 | K | 91.7 | Very high | 89.4 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 177.1 | -71.2 | 168.1 | 179.9 | 173.6 | 0 | 111.5 | I5 V7 D88 N89 E90 F94 R95 V96 | I5-K92 HydrophobicContact CB-CB 4.07Å; I5-K92 HydrophobicContact CG2-CB 4.07Å; V7-K92 HydrophobicContact CG2-CB 3.75Å; V7-K92 HydrophobicContact CG2-CG 3.76Å; D88-K92 VanDerWaalsContact O-CG 3.25Å; D88-K92 WeakPolarHBondContact O-CG 3.46Å; D88-K92 PolarHBondContact O-N 3.33Å; N89-K92 PolarHBondContact O-N 3.48Å; E90-K92 VanDerWaalsContact C-N 3.33Å; E90-K92 PolarHBondContact O-N 3.32Å; K92-F94 VanDerWaalsContact C-N 3.35Å; K92-F94 PolarHBondContact O-N 3.02Å; K92-R95 PolarHBondContact O-N 3.05Å; K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 3.21Å |
| 93 | S | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -51.8 | -53.9 | 173.1 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | I5 N89 E90 R95 V96 L97 A238 | I5-S93 WeakPolarHBondContact CD1-OG 3.39Å; N89-S93 WeakPolarHBondContact O-CB 3.43Å; N89-S93 PolarHBondContact O-N 3.48Å; N89-S93 PolarHBondContact O-OG 3.08Å; N89-S93 VanDerWaalsContact O-OG 3.12Å; E90-S93 WeakPolarHBondContact O-CB 3.48Å; E90-S93 PolarHBondContact O-N 3.26Å; S93-R95 VanDerWaalsContact C-N 3.34Å; S93-R95 PolarHBondContact O-N 2.97Å; S93-V96 PolarHBondContact O-N 2.78Å; S93-L97 WeakPolarHBondContact O-CB 3.41Å; S93-L97 WeakPolarHBondContact O-CD1 3.46Å; S93-L97 WeakPolarHBondContact O-CG 3.26Å; S93-L97 PolarHBondContact O-N 3.23Å; S93-A238 PolarHBondContact OG-O 2.84Å; S93-A238 VanDerWaalsContact OG-O 3.1Å |
| 94 | F | 93.1 | Very high | 91 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | -178.4 | -156 | 151.2 | 0 | 0 | 0 | 111.2 | E90 I91 K92 V96 L97 H98 A103 P104 L106 L114 Y116 Y235 | E90-F94 WeakPolarHBondContact O-CB 3.29Å; E90-F94 PolarHBondContact O-N 3.43Å; I91-F94 PolarHBondContact O-N 2.81Å; K92-F94 VanDerWaalsContact C-N 3.35Å; K92-F94 PolarHBondContact O-N 3.02Å; F94-V96 PolarHBondContact O-N 3.29Å; F94-L97 PolarHBondContact O-N 2.79Å; F94-H98 WeakPolarHBondContact O-CB 3.37Å; F94-H98 PolarHBondContact O-N 3.37Å; F94-A103 HydrophobicContact CD2-CB 3.76Å; F94-A103 HydrophobicContact CE2-CB 3.78Å; F94-P104 HydrophobicContact CE2-CG 4.04Å; F94-P104 VanDerWaalsContact CE2-O 3.28Å; F94-P104 WeakPolarHBondContact CE2-O 3.38Å; F94-P104 HydrophobicContact CZ-CG 3.98Å; F94-L106 HydrophobicContact CB-CD2 4.11Å; F94-L106 HydrophobicContact CD1-CB 4.48Å; F94-L106 HydrophobicContact CD1-CD1 4.09Å; F94-L106 HydrophobicContact CD1-CD2 4.02Å; F94-L106 HydrophobicContact CD1-CG 4.44Å; F94-L106 HydrophobicContact CD2-CB 4.06Å; F94-L106 HydrophobicContact CE1-CB 4.44Å; F94-L106 HydrophobicContact CE1-CD1 3.95Å; F94-L106 HydrophobicContact CE2-CB 4.03Å; F94-L106 HydrophobicContact CG-CB 4.3Å; F94-L106 HydrophobicContact CG-CD2 3.96Å; F94-L106 HydrophobicContact CZ-CB 4.22Å; F94-L106 HydrophobicContact CZ-CD1 4.4Å; F94-L114 HydrophobicContact CD1-CD1 4.15Å; F94-L114 HydrophobicContact CE1-CD1 3.72Å; F94-Y116 HydrophobicContact CE1-CD1 4.42Å; F94-Y116 HydrophobicContact CE1-CG 4.15Å; F94-Y116 HydrophobicContact CZ-CD2 4.1Å; F94-Y116 AromaticContact CZ-CG 3.95Å; F94-Y116 HydrophobicContact CZ-CG 3.95Å; F94-Y235 HydrophobicContact CB-CD2 4.2Å; F94-Y235 AromaticContact CD1-CD2 3.85Å; F94-Y235 HydrophobicContact CD1-CD2 3.85Å; F94-Y235 HydrophobicContact CD1-CE2 4.29Å; F94-Y235 AromaticContact CD2-CD2 3.9Å; F94-Y235 HydrophobicContact CD2-CD2 3.9Å; F94-Y235 AromaticContact CD2-CE2 3.77Å; F94-Y235 HydrophobicContact CD2-CE2 3.77Å; F94-Y235 HydrophobicContact CE1-CD2 4.14Å; F94-Y235 HydrophobicContact CE1-CE2 4.23Å; F94-Y235 HydrophobicContact CE2-CD2 4.18Å; F94-Y235 AromaticContact CE2-CE2 3.69Å; F94-Y235 HydrophobicContact CE2-CE2 3.69Å; F94-Y235 AromaticContact CG-CD2 3.72Å; F94-Y235 HydrophobicContact CG-CD2 3.72Å; F94-Y235 HydrophobicContact CG-CE2 4.08Å; F94-Y235 HydrophobicContact CZ-CD2 4.31Å; F94-Y235 AromaticContact CZ-CE2 3.95Å; F94-Y235 HydrophobicContact CZ-CE2 3.95Å |
| 95 | R | 92.6 | Very high | 91.6 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 24% | 0.242 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | -180 | -72 | 179.9 | 71.2 | -146.7 | -6.9 | 112.8 | V7 A11 P12 V14 I91 K92 S93 H98 A99 L106 | V7-R95 HydrophobicContact CG1-CB 3.79Å; V7-R95 HydrophobicContact CG2-CB 4.37Å; A11-R95 PolarHBondContact O-NH2 3.14Å; P12-R95 PolarHBondContact O-NE 3.18Å; P12-R95 PolarHBondContact O-NH2 2.93Å; P12-R95 VanDerWaalsContact O-NH2 3.15Å; V14-R95 HydrophobicContact CG2-CG 3.65Å; I91-R95 WeakPolarHBondContact O-CG 3.37Å; I91-R95 PolarHBondContact O-N 3.25Å; K92-R95 PolarHBondContact O-N 3.05Å; S93-R95 VanDerWaalsContact C-N 3.34Å; S93-R95 PolarHBondContact O-N 2.97Å; R95-H98 PolarHBondContact O-N 3.38Å; R95-A99 PolarHBondContact O-N 2.8Å; R95-L106 HydrophobicContact CG-CD2 4.35Å |
| 96 | V | 92.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I5 H6 V7 K92 S93 F94 H98 A99 H100 I148 L211 | I5-V96 HydrophobicContact CG2-CB 4.39Å; I5-V96 HydrophobicContact CG2-CG2 3.51Å; H6-V96 VanDerWaalsContact O-CG2 3.3Å; H6-V96 WeakPolarHBondContact O-CG2 3.24Å; V7-V96 HydrophobicContact CB-CG2 4.42Å; V7-V96 HydrophobicContact CG2-CG2 4.22Å; K92-V96 WeakPolarHBondContact O-CG2 3.44Å; K92-V96 PolarHBondContact O-N 3.21Å; S93-V96 PolarHBondContact O-N 2.78Å; F94-V96 PolarHBondContact O-N 3.29Å; V96-H98 VanDerWaalsContact C-N 3.29Å; V96-H98 PolarHBondContact O-N 3.28Å; V96-A99 WeakPolarHBondContact O-CB 3.39Å; V96-A99 PolarHBondContact O-N 3.45Å; V96-H100 PolarHBondContact O-CD2 3.26Å; V96-H100 VanDerWaalsContact O-CD2 3.25Å; V96-H100 PolarHBondContact O-N 3.48Å; V96-I148 HydrophobicContact CG1-CG2 3.75Å; V96-L211 HydrophobicContact CG1-CD2 3.95Å |
| 97 | L | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | -178.8 | -64.3 | 165.2 | 0 | 0 | 0 | 112.3 | S93 F94 H100 R101 C102 A103 Y145 I148 L211 Y235 | S93-L97 WeakPolarHBondContact O-CB 3.41Å; S93-L97 WeakPolarHBondContact O-CD1 3.46Å; S93-L97 WeakPolarHBondContact O-CG 3.26Å; S93-L97 PolarHBondContact O-N 3.23Å; F94-L97 PolarHBondContact O-N 2.79Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 PolarHBondContact O-N 3.04Å; L97-R101 PolarHBondContact O-N 2.83Å; L97-C102 HydrophobicContact CB-CB 4.25Å; L97-C102 HydrophobicContact CD2-CB 4.12Å; L97-C102 WeakPolarHBondContact O-CA 3.32Å; L97-C102 WeakPolarHBondContact O-CB 3.47Å; L97-C102 PolarHBondContact O-N 3.39Å; L97-A103 HydrophobicContact CB-CB 3.52Å; L97-A103 PolarHBondContact O-N 2.79Å; L97-Y145 HydrophobicContact CD1-CE2 3.61Å; L97-Y145 WeakPolarHBondContact CD1-OH 3.31Å; L97-Y145 HydrophobicContact CD2-CD1 3.94Å; L97-Y145 HydrophobicContact CD2-CD2 3.58Å; L97-Y145 HydrophobicContact CD2-CE1 3.61Å; L97-Y145 HydrophobicContact CD2-CE2 3.22Å; L97-Y145 HydrophobicContact CD2-CG 3.94Å; L97-Y145 HydrophobicContact CG-CE2 3.99Å; L97-I148 HydrophobicContact CD2-CD1 3.76Å; L97-L211 HydrophobicContact CD2-CD2 3.91Å; L97-L211 HydrophobicContact CG-CD2 4.41Å; L97-Y235 HydrophobicContact CD1-CD1 3.64Å; L97-Y235 HydrophobicContact CD1-CD2 4.32Å; L97-Y235 HydrophobicContact CD1-CE1 4Å; L97-Y235 HydrophobicContact CD1-CG 3.81Å |
| 98 | H | 92.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.222 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 176.2 | -178.8 | 54.8 | 0 | 0 | 0 | 111.1 | F94 R95 V96 H100 R101 A103 P104 R105 | F94-H98 WeakPolarHBondContact O-CB 3.37Å; F94-H98 PolarHBondContact O-N 3.37Å; R95-H98 PolarHBondContact O-N 3.38Å; V96-H98 VanDerWaalsContact C-N 3.29Å; V96-H98 PolarHBondContact O-N 3.28Å; H98-H100 PolarHBondContact O-N 3.02Å; H98-R101 PolarHBondContact O-N 3.46Å; H98-A103 HydrophobicContact CB-CB 4.33Å; H98-A103 PolarHBondContact ND1-O 3.12Å; H98-A103 VanDerWaalsContact ND1-O 3.15Å; H98-P104 PolarHBondContact ND1-O 2.99Å; H98-R105 VanDerWaalsContact CE1-CA 3.44Å; H98-R105 WeakPolarHBondContact CE1-CA 3.29Å |
| 99 | A | 92.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 34% | 0.339 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P8 A11 R95 V96 | P8-A99 HydrophobicContact CG-CB 4.23Å; A11-A99 HydrophobicContact CB-CB 4.09Å; R95-A99 PolarHBondContact O-N 2.8Å; V96-A99 WeakPolarHBondContact O-CB 3.39Å; V96-A99 PolarHBondContact O-N 3.45Å |
| 100 | H | 91.9 | Very high | 93.5 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 32% | 0.315 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 10.5 | 176.1 | -69.2 | -74.9 | 0 | 0 | 0 | 114.8 | V96 L97 H98 C102 K144 I148 | V96-H100 PolarHBondContact O-CD2 3.26Å; V96-H100 VanDerWaalsContact O-CD2 3.25Å; V96-H100 PolarHBondContact O-N 3.48Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 PolarHBondContact O-N 3.04Å; H98-H100 PolarHBondContact O-N 3.02Å; H100-C102 PolarHBondContact O-N 3.45Å; H100-K144 VanDerWaalsContact O-CE 3.3Å; H100-K144 WeakPolarHBondContact O-CE 3.19Å; H100-K144 PolarHBondContact O-NZ 2.82Å; H100-I148 HydrophobicContact CB-CD1 3.61Å; H100-I148 HydrophobicContact CB-CG1 3.89Å; H100-I148 VanDerWaalsContact CD2-CG2 3.48Å; H100-I148 WeakPolarHBondContact CD2-CG2 3.33Å |
| 101 | R | 92.2 | Very high | 93.6 | Very high | 198 Ų | 198 | 39.5 Ų | 39.5 | 75% | 0.747 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 31.1 | -178.1 | -48.5 | -179.3 | -177.7 | -172.1 | 0.2 | 113.5 | L97 H98 K144 K231 | L97-R101 PolarHBondContact O-N 2.83Å; H98-R101 PolarHBondContact O-N 3.46Å; R101-K144 PolarHBondContact O-NZ 3.49Å; R101-K231 PolarHBondContact O-NZ 2.64Å |
| 102 | C | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -102 | -12.6 | 175.3 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | L97 H100 Y145 I148 | L97-C102 HydrophobicContact CB-CB 4.25Å; L97-C102 HydrophobicContact CD2-CB 4.12Å; L97-C102 WeakPolarHBondContact O-CA 3.32Å; L97-C102 WeakPolarHBondContact O-CB 3.47Å; L97-C102 PolarHBondContact O-N 3.39Å; H100-C102 PolarHBondContact O-N 3.45Å; C102-Y145 HydrophobicContact CB-CD2 4.34Å; C102-I148 HydrophobicContact CB-CD1 4.48Å |
| 103 | A | 93.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -129.6 | 153.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F94 L97 H98 Y235 | F94-A103 HydrophobicContact CD2-CB 3.76Å; F94-A103 HydrophobicContact CE2-CB 3.78Å; L97-A103 HydrophobicContact CB-CB 3.52Å; L97-A103 PolarHBondContact O-N 2.79Å; H98-A103 HydrophobicContact CB-CB 4.33Å; H98-A103 PolarHBondContact ND1-O 3.12Å; H98-A103 VanDerWaalsContact ND1-O 3.15Å; A103-Y235 WeakPolarHBondContact CA-OH 3.49Å; A103-Y235 HydrophobicContact CB-CD2 4.46Å; A103-Y235 HydrophobicContact CB-CE1 4.5Å; A103-Y235 HydrophobicContact CB-CE2 3.48Å; A103-Y235 VanDerWaalsContact CB-CE2 3.48Å; A103-Y235 WeakPolarHBondContact CB-OH 3.22Å |
| 104 | P | 93.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | trans | -60.7 | 171 | 172.2 | 22.2 | -27 | 0 | 0 | 0 | 111.3 | F94 H98 L106 Y116 E117 L119 Y235 | F94-P104 HydrophobicContact CE2-CG 4.04Å; F94-P104 VanDerWaalsContact CE2-O 3.28Å; F94-P104 WeakPolarHBondContact CE2-O 3.38Å; F94-P104 HydrophobicContact CZ-CG 3.98Å; H98-P104 PolarHBondContact ND1-O 2.99Å; P104-L106 PolarHBondContact O-N 3.17Å; P104-Y116 HydrophobicContact CG-CD2 4.14Å; P104-E117 HydrophobicContact CB-CB 3.94Å; P104-E117 HydrophobicContact CB-CG 4.32Å; P104-L119 HydrophobicContact CB-CD1 4.34Å; P104-L119 HydrophobicContact CB-CD2 3.82Å; P104-L119 HydrophobicContact CB-CG 3.97Å; P104-L119 HydrophobicContact CG-CD1 4.18Å; P104-L119 HydrophobicContact CG-CG 4.22Å; P104-Y235 WeakPolarHBondContact CD-OH 3.47Å | ||
| 105 | R | 93.8 | Very high | 94.1 | Very high | 143 Ų | 143 | 35.3 Ų | 35.3 | 54% | 0.54 | 16% | 0.16 | S | C | . | . | trans | -68.5 | 121.7 | 173.5 | -172.1 | 169.2 | 176.9 | -176.5 | 2.2 | 111.3 | H98 Y107 Y116 E117 | H98-R105 VanDerWaalsContact CE1-CA 3.44Å; H98-R105 WeakPolarHBondContact CE1-CA 3.29Å; R105-Y107 HydrophobicContact CB-CE1 4.26Å; R105-Y107 HydrophobicContact CG-CD1 4.01Å; R105-Y107 HydrophobicContact CG-CE1 3.95Å; R105-Y116 CarbonylContact O-C 3.59Å; R105-Y116 VanDerWaalsContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CA 3.31Å; R105-Y116 WeakPolarHBondContact O-CB 3.48Å; R105-E117 HydrophobicContact CB-CB 4.05Å; R105-E117 PolarHBondContact N-OE2 2.94Å; R105-E117 PolarHBondContact O-N 3.42Å | ||
| 106 | L | 95 | Very high | 94.3 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 111.6 | 167.3 | -179.7 | 58.1 | 0 | 0 | 0 | 108.7 | V14 I91 F94 R95 P104 L114 | V14-L106 HydrophobicContact CB-CD2 4.46Å; V14-L106 HydrophobicContact CG1-CD2 3.97Å; V14-L106 HydrophobicContact CG1-CG 3.84Å; V14-L106 HydrophobicContact CG2-CB 4.37Å; V14-L106 HydrophobicContact CG2-CD2 3.79Å; V14-L106 HydrophobicContact CG2-CG 3.97Å; I91-L106 HydrophobicContact CG2-CD2 4.47Å; F94-L106 HydrophobicContact CB-CD2 4.11Å; F94-L106 HydrophobicContact CD1-CB 4.48Å; F94-L106 HydrophobicContact CD1-CD1 4.09Å; F94-L106 HydrophobicContact CD1-CD2 4.02Å; F94-L106 HydrophobicContact CD1-CG 4.44Å; F94-L106 HydrophobicContact CD2-CB 4.06Å; F94-L106 HydrophobicContact CE1-CB 4.44Å; F94-L106 HydrophobicContact CE1-CD1 3.95Å; F94-L106 HydrophobicContact CE2-CB 4.03Å; F94-L106 HydrophobicContact CG-CB 4.3Å; F94-L106 HydrophobicContact CG-CD2 3.96Å; F94-L106 HydrophobicContact CZ-CB 4.22Å; F94-L106 HydrophobicContact CZ-CD1 4.4Å; R95-L106 HydrophobicContact CG-CD2 4.35Å; P104-L106 PolarHBondContact O-N 3.17Å; L106-L114 HydrophobicContact CD1-CB 3.96Å; L106-L114 HydrophobicContact CD1-CD1 3.97Å |
| 107 | Y | 96.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 11% | 0.106 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -46.1 | -174.8 | -65.4 | -56.8 | 0 | 0 | 0 | 112.7 | P15 R38 V72 R105 C115 Y116 E117 | P15-Y107 VanDerWaalsContact CD-O 3.29Å; P15-Y107 WeakPolarHBondContact CD-O 3.42Å; P15-Y107 WeakPolarHBondContact CG-O 3.3Å; R38-Y107 PolarHBondContact NH2-OH 3.42Å; V72-Y107 HydrophobicContact CB-CE2 4.49Å; V72-Y107 HydrophobicContact CG1-CD2 3.92Å; V72-Y107 HydrophobicContact CG1-CE2 4.23Å; V72-Y107 HydrophobicContact CG2-CD2 4.38Å; V72-Y107 HydrophobicContact CG2-CE2 4.06Å; R105-Y107 HydrophobicContact CB-CE1 4.26Å; R105-Y107 HydrophobicContact CG-CD1 4.01Å; R105-Y107 HydrophobicContact CG-CE1 3.95Å; Y107-C115 WeakPolarHBondContact CA-O 3.45Å; Y107-C115 WeakPolarHBondContact CB-O 3.46Å; Y107-C115 PolarHBondContact N-O 3.04Å; Y107-Y116 VanDerWaalsContact CD2-C 3.45Å; Y107-Y116 VanDerWaalsContact CE2-C 3.44Å; Y107-E117 HydrophobicContact CE2-CB 3.97Å; Y107-E117 VanDerWaalsContact CE2-N 3.34Å |
| 108 | C | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 166 | 178.2 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | P15 I17 L37 L114 C115 | P15-C108 HydrophobicContact CG-CB 3.94Å; P15-C108 CarbonylContact O-C 3.43Å; P15-C108 VanDerWaalsContact O-CA 3.25Å; P15-C108 WeakPolarHBondContact O-CA 3.45Å; P15-C108 VanDerWaalsContact O-CB 3.27Å; P15-C108 WeakPolarHBondContact O-CB 3.46Å; I17-C108 HydrophobicContact CD1-CB 3.84Å; I17-C108 VanDerWaalsContact CD1-SG 3.59Å; I17-C108 HydrophobicContact CG1-CB 4.02Å; L37-C108 HydrophobicContact CD2-CB 4.15Å; C108-L114 WeakPolarHBondContact O-CA 3.36Å; C108-C115 PolarHBondContact N-O 3.07Å; C108-C115 PolarHBondContact O-N 3.33Å |
| 109 | T | 96.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 159.1 | 158.9 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | V14 P15 K16 I17 I91 | V14-T109 HydrophobicContact CG1-CG2 4.05Å; P15-T109 PolarHBondContact O-N 3.37Å; K16-T109 WeakPolarHBondContact CA-O 3.47Å; I17-T109 PolarHBondContact N-O 3.43Å; I91-T109 HydrophobicContact CD1-CG2 3.75Å; I91-T109 HydrophobicContact CG1-CG2 3.97Å |
| 110 | F | 96.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 178.4 | 172.6 | 60.2 | -94.8 | 0 | 0 | 0 | 109.6 | I17 V19 V21 L33 V74 R75 I76 N112 G113 L114 | I17-F110 WeakPolarHBondContact O-CA 3.24Å; I17-F110 WeakPolarHBondContact O-CB 3.42Å; V19-F110 WeakPolarHBondContact O-CB 3.36Å; V21-F110 HydrophobicContact CB-CE2 4.28Å; V21-F110 HydrophobicContact CG2-CD2 4.17Å; V21-F110 HydrophobicContact CG2-CE2 3.72Å; V21-F110 HydrophobicContact CG2-CZ 4.16Å; L33-F110 HydrophobicContact CD1-CD1 3.91Å; L33-F110 HydrophobicContact CD1-CE1 3.93Å; L33-F110 HydrophobicContact CD1-CG 4.28Å; L33-F110 HydrophobicContact CD1-CZ 4.33Å; L33-F110 HydrophobicContact CD2-CB 4.02Å; L33-F110 HydrophobicContact CD2-CD1 4.03Å; L33-F110 HydrophobicContact CD2-CG 4.17Å; V74-F110 HydrophobicContact CG1-CE1 3.93Å; V74-F110 HydrophobicContact CG1-CZ 3.81Å; R75-F110 WeakPolarHBondContact O-CZ 3.37Å; I76-F110 HydrophobicContact CG1-CE2 4.5Å; I76-F110 HydrophobicContact CG1-CZ 4.27Å; F110-N112 WeakPolarHBondContact CD2-OD1 3.37Å; F110-N112 VanDerWaalsContact CE2-OD1 3.26Å; F110-N112 WeakPolarHBondContact CE2-OD1 3.48Å; F110-N112 PolarHBondContact O-N 3.43Å; F110-G113 VanDerWaalsContact CE2-CA 3.46Å; F110-G113 VanDerWaalsContact CE2-N 3.32Å; F110-G113 VanDerWaalsContact CZ-CA 3.42Å; F110-G113 PolarHBondContact N-O 3.44Å; F110-G113 PolarHBondContact O-N 3.37Å; F110-L114 VanDerWaalsContact CE1-C 3.45Å |
| 111 | N | 94.3 | Very high | 94.5 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.7 | -164.6 | -67.4 | -21.2 | 0 | 0 | 0 | 114 | D18 V19 T20 | D18-N111 PolarHBondContact OD1-ND2 3.1Å; V19-N111 WeakPolarHBondContact O-CB 3.48Å; V19-N111 PolarHBondContact O-N 2.96Å; T20-N111 WeakPolarHBondContact OG1-CB 3.32Å; T20-N111 PolarHBondContact OG1-ND2 2.87Å |
| 112 | N | 92.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | 32.2 | -179.8 | 65 | -32.6 | 0 | 0 | 0 | 113.3 | T20 V21 Y77 F110 | T20-N112 WeakPolarHBondContact CA-OD1 3.3Å; V21-N112 PolarHBondContact N-OD1 2.94Å; V21-N112 PolarHBondContact O-ND2 3.5Å; Y77-N112 WeakPolarHBondContact CD2-O 3.31Å; Y77-N112 PolarHBondContact N-O 2.8Å; F110-N112 WeakPolarHBondContact CD2-OD1 3.37Å; F110-N112 VanDerWaalsContact CE2-OD1 3.26Å; F110-N112 WeakPolarHBondContact CE2-OD1 3.48Å; F110-N112 PolarHBondContact O-N 3.43Å |
| 113 | G | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | -160.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R75 F110 | R75-G113 CarbonylContact O-C 3.2Å; R75-G113 WeakPolarHBondContact O-CA 3.32Å; F110-G113 VanDerWaalsContact CE2-CA 3.46Å; F110-G113 VanDerWaalsContact CE2-N 3.32Å; F110-G113 VanDerWaalsContact CZ-CA 3.42Å; F110-G113 PolarHBondContact N-O 3.44Å; F110-G113 PolarHBondContact O-N 3.37Å |
| 114 | L | 95.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152.7 | 179.3 | 50.9 | 137.4 | 0 | 0 | 0 | 112.4 | R75 Y77 F94 L106 C108 F110 Y116 | R75-L114 HydrophobicContact CB-CG 4.37Å; R75-L114 PolarHBondContact N-O 2.83Å; R75-L114 PolarHBondContact O-N 2.71Å; Y77-L114 HydrophobicContact CD1-CD2 4.36Å; Y77-L114 HydrophobicContact CE1-CD2 3.31Å; Y77-L114 WeakPolarHBondContact OH-CD2 3.09Å; F94-L114 HydrophobicContact CD1-CD1 4.15Å; F94-L114 HydrophobicContact CE1-CD1 3.72Å; L106-L114 HydrophobicContact CD1-CB 3.96Å; L106-L114 HydrophobicContact CD1-CD1 3.97Å; C108-L114 WeakPolarHBondContact O-CA 3.36Å; F110-L114 VanDerWaalsContact CE1-C 3.45Å; L114-Y116 HydrophobicContact CD1-CD1 3.43Å; L114-Y116 VanDerWaalsContact CD1-CD1 3.43Å; L114-Y116 HydrophobicContact CD1-CE1 3.69Å; L114-Y116 HydrophobicContact CD1-CG 4.36Å; L114-Y116 HydrophobicContact CG-CD1 4.27Å; L114-Y116 HydrophobicContact CG-CE1 4.44Å |
| 115 | C | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.7 | 170.8 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | L37 V72 L73 Y107 C108 | L37-C115 HydrophobicContact CD1-CB 3.58Å; V72-C115 HydrophobicContact CG1-CB 3.96Å; L73-C115 CarbonylContact O-C 3.58Å; L73-C115 WeakPolarHBondContact O-CA 3.23Å; Y107-C115 WeakPolarHBondContact CA-O 3.45Å; Y107-C115 WeakPolarHBondContact CB-O 3.46Å; Y107-C115 PolarHBondContact N-O 3.04Å; C108-C115 PolarHBondContact N-O 3.07Å; C108-C115 PolarHBondContact O-N 3.33Å |
| 116 | Y | 96.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 32 Ų | 32 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 167.5 | -178.7 | 59.6 | -78.8 | 0 | 0 | 0 | 112.5 | L59 L73 R75 F94 P104 R105 Y107 L114 | L59-Y116 HydrophobicContact CD1-CE1 4.31Å; L59-Y116 WeakPolarHBondContact CD1-OH 3.36Å; L73-Y116 HydrophobicContact CB-CD1 4.28Å; L73-Y116 HydrophobicContact CB-CD2 4.29Å; L73-Y116 HydrophobicContact CB-CE1 4.17Å; L73-Y116 HydrophobicContact CB-CE2 4.16Å; L73-Y116 HydrophobicContact CB-CG 4.36Å; L73-Y116 WeakPolarHBondContact CB-O 3.22Å; L73-Y116 HydrophobicContact CD1-CD2 3.94Å; L73-Y116 HydrophobicContact CD1-CE2 3.39Å; L73-Y116 HydrophobicContact CG-CE2 4.42Å; L73-Y116 PolarHBondContact N-O 3.08Å; L73-Y116 PolarHBondContact O-N 3.38Å; R75-Y116 HydrophobicContact CB-CE1 3.73Å; F94-Y116 HydrophobicContact CE1-CD1 4.42Å; F94-Y116 HydrophobicContact CE1-CG 4.15Å; F94-Y116 HydrophobicContact CZ-CD2 4.1Å; F94-Y116 AromaticContact CZ-CG 3.95Å; F94-Y116 HydrophobicContact CZ-CG 3.95Å; P104-Y116 HydrophobicContact CG-CD2 4.14Å; R105-Y116 CarbonylContact O-C 3.59Å; R105-Y116 VanDerWaalsContact O-CA 3.26Å; R105-Y116 WeakPolarHBondContact O-CA 3.31Å; R105-Y116 WeakPolarHBondContact O-CB 3.48Å; Y107-Y116 VanDerWaalsContact CD2-C 3.45Å; Y107-Y116 VanDerWaalsContact CE2-C 3.44Å; L114-Y116 HydrophobicContact CD1-CD1 3.43Å; L114-Y116 VanDerWaalsContact CD1-CD1 3.43Å; L114-Y116 HydrophobicContact CD1-CE1 3.69Å; L114-Y116 HydrophobicContact CD1-CG 4.36Å; L114-Y116 HydrophobicContact CG-CD1 4.27Å; L114-Y116 HydrophobicContact CG-CE1 4.44Å |
| 117 | E | 95.4 | Very high | 93.1 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 136.9 | -179.7 | 169 | -177.2 | -143.4 | 0 | 0 | 112 | P104 R105 Y107 | P104-E117 HydrophobicContact CB-CB 3.94Å; P104-E117 HydrophobicContact CB-CG 4.32Å; R105-E117 HydrophobicContact CB-CB 4.05Å; R105-E117 PolarHBondContact N-OE2 2.94Å; R105-E117 PolarHBondContact O-N 3.42Å; Y107-E117 HydrophobicContact CE2-CB 3.97Å; Y107-E117 VanDerWaalsContact CE2-N 3.34Å |
| 118 | F | 94.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 18% | 0.184 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -76.6 | 126.1 | 169.3 | 179.9 | -103.1 | 0 | 0 | 0 | 110.7 | F51 V71 L73 | F51-F118 AromaticContact CE1-CE2 3.89Å; F51-F118 HydrophobicContact CE1-CE2 3.89Å; F51-F118 HydrophobicContact CZ-CD2 4.15Å; F51-F118 AromaticContact CZ-CE2 3.62Å; F51-F118 HydrophobicContact CZ-CE2 3.62Å; F51-F118 HydrophobicContact CZ-CZ 4.42Å; V71-F118 HydrophobicContact CB-CB 3.6Å; V71-F118 HydrophobicContact CB-CD1 4.31Å; V71-F118 HydrophobicContact CB-CG 4.05Å; V71-F118 HydrophobicContact CG1-CB 3.98Å; V71-F118 HydrophobicContact CG1-CG 4.26Å; V71-F118 HydrophobicContact CG2-CB 4.43Å; V71-F118 HydrophobicContact CG2-CD1 4.24Å; V71-F118 HydrophobicContact CG2-CG 4.44Å; V71-F118 PolarHBondContact O-N 2.9Å; L73-F118 HydrophobicContact CD1-CB 4.31Å; L73-F118 HydrophobicContact CD1-CD2 4.06Å; L73-F118 HydrophobicContact CD2-CD2 3.94Å; L73-F118 HydrophobicContact CG-CB 4.06Å; L73-F118 HydrophobicContact CG-CD2 4.13Å |
| 119 | L | 93.1 | Very high | 92.4 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 126.7 | 174.1 | -65.4 | -178.9 | 0 | 0 | 0 | 110.6 | P104 I222 K231 I233 | P104-L119 HydrophobicContact CB-CD1 4.34Å; P104-L119 HydrophobicContact CB-CD2 3.82Å; P104-L119 HydrophobicContact CB-CG 3.97Å; P104-L119 HydrophobicContact CG-CD1 4.18Å; P104-L119 HydrophobicContact CG-CG 4.22Å; L119-I222 HydrophobicContact CB-CG2 4.22Å; L119-K231 HydrophobicContact CD1-CB 3.56Å; L119-K231 HydrophobicContact CD1-CG 4.15Å; L119-I233 HydrophobicContact CD1-CG2 3.68Å |
| 120 | Q | 92.3 | Very high | 91.9 | Very high | 92 Ų | 92 | 42.8 Ų | 42.8 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -70 | 131.1 | 173.9 | -61.2 | -63.5 | -29.1 | 0 | 0 | 110.4 | M68 N224 | M68-Q120 PolarHBondContact O-NE2 3.24Å; Q120-N224 PolarHBondContact O-ND2 2.87Å |
| 121 | G | 92.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 38% | 0.381 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 148.3 | -168.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y223 | G121-Y223 VanDerWaalsContact CA-O 3.26Å; G121-Y223 WeakPolarHBondContact CA-O 3.3Å |
| 122 | T | 92.3 | Very high | 91.2 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 60% | 0.595 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.6 | 177.3 | -52.7 | 0 | 0 | 0 | 0 | 108.3 | Y223 | T122-Y223 PolarHBondContact N-O 3.38Å; T122-Y223 PolarHBondContact O-N 3.08Å |
| 123 | A | 92.7 | Very high | 91 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 135.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K219 I221 I222 | A123-K219 HydrophobicContact CB-CD 4.32Å; A123-I221 WeakPolarHBondContact CA-O 3.49Å; A123-I222 HydrophobicContact CB-CD1 3.89Å |
| 124 | L | 92.4 | Very high | 91 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -74.8 | 155.3 | -177.8 | -65.1 | -174 | 0 | 0 | 0 | 111.8 | H128 I129 V134 I138 C218 K219 I221 Y223 | L124-H128 HydrophobicContact CB-CB 4.3Å; L124-H128 HydrophobicContact CD2-CB 3.71Å; L124-H128 HydrophobicContact CG-CB 4.43Å; L124-I129 HydrophobicContact CB-CG2 4.14Å; L124-I129 HydrophobicContact CD1-CG2 3.77Å; L124-V134 HydrophobicContact CD1-CG1 3.53Å; L124-V134 HydrophobicContact CD2-CG1 4.47Å; L124-I138 HydrophobicContact CD1-CD1 3.94Å; L124-C218 HydrophobicContact CB-CB 4.45Å; L124-C218 WeakPolarHBondContact CB-O 3.12Å; L124-C218 PolarHBondContact N-O 2.85Å; L124-C218 CarbonylContact O-C 3.59Å; L124-C218 VanDerWaalsContact O-CB 3.26Å; L124-C218 WeakPolarHBondContact O-CB 3.48Å; L124-K219 PolarHBondContact O-N 2.81Å; L124-I221 HydrophobicContact CB-CB 4.44Å; L124-I221 HydrophobicContact CD1-CB 3.98Å; L124-I221 HydrophobicContact CD1-CG2 3.58Å; L124-I221 HydrophobicContact CG-CB 4.21Å; L124-I221 HydrophobicContact CG-CG2 4.12Å; L124-I221 PolarHBondContact N-O 2.62Å; L124-Y223 VanDerWaalsContact CD2-CB 3.42Å; L124-Y223 HydrophobicContact CD2-CD1 4.31Å; L124-Y223 HydrophobicContact CD2-CG 4.18Å | ||
| 125 | E | 87.8 | Confident | 91 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 28% | 0.28 | 27% | 0.265 | S | S | . | . | trans | -116.8 | 163.3 | 170.6 | -53.9 | -65.2 | 166.2 | 0 | 0 | 109.2 | E127 H128 K219 | E125-E127 VanDerWaalsContact CB-CD 3.45Å; E125-E127 HydrophobicContact CB-CG 4.47Å; E125-E127 WeakPolarHBondContact CB-OE1 3.48Å; E125-E127 WeakPolarHBondContact CB-OE2 3.33Å; E125-E127 PolarHBondContact O-N 2.97Å; E125-E127 VanDerWaalsContact O-N 3.09Å; E125-H128 WeakPolarHBondContact CB-ND1 3.27Å; E125-H128 PolarHBondContact N-ND1 3.4Å; E125-H128 WeakPolarHBondContact O-CB 3.23Å; E125-H128 PolarHBondContact O-N 2.86Å; E125-H128 PolarHBondContact O-ND1 2.98Å; E125-K219 WeakPolarHBondContact OE1-CE 3.39Å; E125-K219 IonicContact OE1-NZ 3.62Å; E125-K219 PolarHBondContact OE1-NZ 3.3Å; E125-K219 WeakPolarHBondContact OE2-CE 3.38Å; E125-K219 IonicContact OE2-NZ 3.66Å; E125-K219 PolarHBondContact OE2-NZ 3.31Å | ||
| 126 | P | 85.1 | Confident | 91 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31 | -176.3 | -29.1 | 37.2 | 0 | 0 | 0 | 115.5 | H128 I129 | P126-H128 VanDerWaalsContact C-N 3.34Å; P126-I129 VanDerWaalsContact O-CG1 3.22Å; P126-I129 WeakPolarHBondContact O-CG1 3.28Å |
| 127 | E | 84 | Confident | 91 | Very high | 121 Ų | 121 | 56 Ų | 56 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -30.1 | 176.6 | 62.4 | -88.2 | -153.6 | 0 | 0 | 113 | E125 | E125-E127 VanDerWaalsContact CB-CD 3.45Å; E125-E127 HydrophobicContact CB-CG 4.47Å; E125-E127 WeakPolarHBondContact CB-OE1 3.48Å; E125-E127 WeakPolarHBondContact CB-OE2 3.33Å; E125-E127 PolarHBondContact O-N 2.97Å; E125-E127 VanDerWaalsContact O-N 3.09Å |
| 128 | H | 88.2 | Confident | 91.2 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -40 | -175.5 | -61.4 | 101.7 | 0 | 0 | 0 | 112.2 | L124 E125 P126 R130 S131 | L124-H128 HydrophobicContact CB-CB 4.3Å; L124-H128 HydrophobicContact CD2-CB 3.71Å; L124-H128 HydrophobicContact CG-CB 4.43Å; E125-H128 WeakPolarHBondContact CB-ND1 3.27Å; E125-H128 PolarHBondContact N-ND1 3.4Å; E125-H128 WeakPolarHBondContact O-CB 3.23Å; E125-H128 PolarHBondContact O-N 2.86Å; E125-H128 PolarHBondContact O-ND1 2.98Å; P126-H128 VanDerWaalsContact C-N 3.34Å; H128-R130 PolarHBondContact O-N 3.17Å; H128-S131 PolarHBondContact O-N 2.88Å; H128-S131 VanDerWaalsContact O-N 3.14Å; H128-S131 PolarHBondContact O-OG 3.24Å |
| 129 | I | 87.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.6 | -174.4 | 61.6 | 166.6 | 0 | 0 | 0 | 113.4 | L124 P126 F135 I138 C218 F254 | L124-I129 HydrophobicContact CB-CG2 4.14Å; L124-I129 HydrophobicContact CD1-CG2 3.77Å; P126-I129 VanDerWaalsContact O-CG1 3.22Å; P126-I129 WeakPolarHBondContact O-CG1 3.28Å; I129-F135 WeakPolarHBondContact O-CB 3.47Å; I129-I138 HydrophobicContact CB-CD1 4.2Å; I129-I138 HydrophobicContact CG2-CD1 3.83Å; I129-C218 WeakPolarHBondContact CD1-SG 3.46Å; I129-F254 HydrophobicContact CB-CZ 4.38Å; I129-F254 HydrophobicContact CD1-CB 4.37Å; I129-F254 HydrophobicContact CD1-CD1 4.03Å; I129-F254 HydrophobicContact CD1-CD2 3.37Å; I129-F254 HydrophobicContact CD1-CE1 4.11Å; I129-F254 HydrophobicContact CD1-CE2 3.48Å; I129-F254 VanDerWaalsContact CD1-CE2 3.48Å; I129-F254 HydrophobicContact CD1-CG 3.66Å; I129-F254 HydrophobicContact CD1-CZ 3.84Å; I129-F254 HydrophobicContact CG1-CD1 4.33Å; I129-F254 HydrophobicContact CG1-CD2 4.41Å; I129-F254 HydrophobicContact CG1-CE1 4.17Å; I129-F254 HydrophobicContact CG1-CE2 4.26Å; I129-F254 HydrophobicContact CG1-CG 4.43Å; I129-F254 HydrophobicContact CG1-CZ 4.11Å |
| 130 | R | 86.1 | Confident | 91.6 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 33% | 0.328 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -17.1 | 174.7 | -60.6 | -178.6 | -161.5 | 165.4 | 14.9 | 113.3 | H128 F254 H264 | H128-R130 PolarHBondContact O-N 3.17Å; R130-F254 HydrophobicContact CG-CD1 3.95Å; R130-F254 HydrophobicContact CG-CE1 3.95Å; R130-F254 PolarHBondContact NH2-O 2.94Å; R130-H264 VanDerWaalsContact CZ-CD2 3.43Å; R130-H264 VanDerWaalsContact CZ-CG 3.45Å; R130-H264 PolarHBondContact NH1-CD2 3.34Å; R130-H264 PolarHBondContact NH1-NE2 2.92Å; R130-H264 VanDerWaalsContact NH1-NE2 3.12Å; R130-H264 PolarHBondContact NH2-CD2 3.31Å; R130-H264 VanDerWaalsContact NH2-CD2 3.26Å; R130-H264 PolarHBondContact NH2-CE1 3.5Å; R130-H264 PolarHBondContact NH2-ND1 3.44Å; R130-H264 PolarHBondContact NH2-NE2 2.99Å |
| 131 | S | 89.4 | Confident | 91.8 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -71.4 | 138.9 | -179.2 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | H128 A133 V134 F135 | H128-S131 PolarHBondContact O-N 2.88Å; H128-S131 VanDerWaalsContact O-N 3.14Å; H128-S131 PolarHBondContact O-OG 3.24Å; S131-A133 VanDerWaalsContact C-N 3.27Å; S131-A133 PolarHBondContact O-N 3.15Å; S131-V134 PolarHBondContact O-N 2.9Å; S131-V134 VanDerWaalsContact O-N 3.16Å; S131-V134 VanDerWaalsContact OG-CB 3.25Å; S131-V134 WeakPolarHBondContact OG-CB 3.37Å; S131-V134 WeakPolarHBondContact OG-CG2 3.48Å; S131-V134 PolarHBondContact OG-N 3.2Å; S131-F135 WeakPolarHBondContact O-CD1 3.32Å; S131-F135 PolarHBondContact O-N 3.24Å |
| 132 | Q | 86.8 | Confident | 92.1 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -37.2 | -175.8 | -169.1 | 175.1 | 42.8 | 0 | 0 | 113.4 | F135 R136 | Q132-F135 VanDerWaalsContact CA-CD1 3.45Å; Q132-F135 VanDerWaalsContact CA-CE1 3.45Å; Q132-F135 HydrophobicContact CB-CD1 4.4Å; Q132-F135 HydrophobicContact CB-CE1 3.91Å; Q132-F135 HydrophobicContact CG-CD1 4.49Å; Q132-F135 HydrophobicContact CG-CE1 3.65Å; Q132-F135 HydrophobicContact CG-CZ 3.91Å; Q132-R136 WeakPolarHBondContact O-CG 3.37Å; Q132-R136 PolarHBondContact O-N 3.46Å |
| 133 | A | 89.3 | Confident | 92.4 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.7 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S131 L137 | S131-A133 VanDerWaalsContact C-N 3.27Å; S131-A133 PolarHBondContact O-N 3.15Å; A133-L137 WeakPolarHBondContact O-CG 3.25Å |
| 134 | V | 94.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.9 | -42.5 | -175 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | L124 S131 R136 L137 I138 Y223 | L124-V134 HydrophobicContact CD1-CG1 3.53Å; L124-V134 HydrophobicContact CD2-CG1 4.47Å; S131-V134 PolarHBondContact O-N 2.9Å; S131-V134 VanDerWaalsContact O-N 3.16Å; S131-V134 VanDerWaalsContact OG-CB 3.25Å; S131-V134 WeakPolarHBondContact OG-CB 3.37Å; S131-V134 WeakPolarHBondContact OG-CG2 3.48Å; S131-V134 PolarHBondContact OG-N 3.2Å; V134-R136 VanDerWaalsContact C-N 3.25Å; V134-R136 PolarHBondContact O-N 3.42Å; V134-L137 WeakPolarHBondContact O-CB 3.42Å; V134-L137 PolarHBondContact O-N 3.31Å; V134-I138 HydrophobicContact CG1-CD1 3.87Å; V134-I138 HydrophobicContact CG1-CG1 4.33Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.1Å; V134-Y223 HydrophobicContact CG2-CE1 4.47Å |
| 135 | F | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | -178.2 | 87.9 | -120.5 | 0 | 0 | 0 | 111.9 | I129 S131 Q132 L137 I138 A139 F270 Q273 W274 | I129-F135 WeakPolarHBondContact O-CB 3.47Å; S131-F135 WeakPolarHBondContact O-CD1 3.32Å; S131-F135 PolarHBondContact O-N 3.24Å; Q132-F135 VanDerWaalsContact CA-CD1 3.45Å; Q132-F135 VanDerWaalsContact CA-CE1 3.45Å; Q132-F135 HydrophobicContact CB-CD1 4.4Å; Q132-F135 HydrophobicContact CB-CE1 3.91Å; Q132-F135 HydrophobicContact CG-CD1 4.49Å; Q132-F135 HydrophobicContact CG-CE1 3.65Å; Q132-F135 HydrophobicContact CG-CZ 3.91Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.81Å; F135-I138 PolarHBondContact O-N 3.09Å; F135-A139 WeakPolarHBondContact O-CB 3.17Å; F135-A139 PolarHBondContact O-N 3.48Å; F135-F270 HydrophobicContact CB-CZ 3.93Å; F135-F270 HydrophobicContact CD1-CD2 4.48Å; F135-F270 HydrophobicContact CD1-CE1 4.48Å; F135-F270 AromaticContact CD1-CE2 3.46Å; F135-F270 HydrophobicContact CD1-CE2 3.46Å; F135-F270 VanDerWaalsContact CD1-CE2 3.46Å; F135-F270 AromaticContact CD1-CZ 3.46Å; F135-F270 HydrophobicContact CD1-CZ 3.46Å; F135-F270 VanDerWaalsContact CD1-CZ 3.46Å; F135-F270 HydrophobicContact CE1-CD2 4.39Å; F135-F270 AromaticContact CE1-CE2 3.75Å; F135-F270 HydrophobicContact CE1-CE2 3.75Å; F135-F270 HydrophobicContact CE1-CZ 4.09Å; F135-F270 HydrophobicContact CG-CE2 4.25Å; F135-F270 AromaticContact CG-CZ 3.78Å; F135-F270 HydrophobicContact CG-CZ 3.78Å; F135-Q273 HydrophobicContact CZ-CB 4.3Å; F135-W274 HydrophobicContact CD2-CB 4.17Å; F135-W274 AromaticContact CD2-CD1 3.37Å; F135-W274 AromaticContact CD2-CG 3.99Å; F135-W274 HydrophobicContact CD2-CG 3.99Å; F135-W274 HydrophobicContact CE2-CB 4.26Å; F135-W274 AromaticContact CG-CD1 3.76Å |
| 136 | R | 96.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 41.9 Ų | 41.9 | 46% | 0.46 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.5 | -74.8 | -178.8 | 179.6 | 174.4 | 0.8 | 111 | Q132 V134 I138 A139 R140 | Q132-R136 WeakPolarHBondContact O-CG 3.37Å; Q132-R136 PolarHBondContact O-N 3.46Å; V134-R136 VanDerWaalsContact C-N 3.25Å; V134-R136 PolarHBondContact O-N 3.42Å; R136-I138 VanDerWaalsContact C-N 3.33Å; R136-I138 PolarHBondContact O-N 2.96Å; R136-A139 PolarHBondContact O-N 2.82Å; R136-R140 WeakPolarHBondContact O-CB 3.19Å; R136-R140 WeakPolarHBondContact O-CG 3.26Å; R136-R140 PolarHBondContact O-N 3.42Å |
| 137 | L | 97.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.246 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.6 | -63.7 | 174.2 | 0 | 0 | 0 | 111.3 | A133 V134 F135 Q141 Y223 G228 V230 | A133-L137 WeakPolarHBondContact O-CG 3.25Å; V134-L137 WeakPolarHBondContact O-CB 3.42Å; V134-L137 PolarHBondContact O-N 3.31Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.81Å; L137-Q141 VanDerWaalsContact O-CB 3.27Å; L137-Q141 WeakPolarHBondContact O-CB 3.48Å; L137-Q141 PolarHBondContact O-N 3.49Å; L137-Y223 HydrophobicContact CD1-CD2 4.36Å; L137-Y223 HydrophobicContact CD1-CE2 3.82Å; L137-G228 WeakPolarHBondContact CD1-O 3.19Å; L137-G228 WeakPolarHBondContact CD2-O 3.43Å; L137-V230 HydrophobicContact CB-CB 4.5Å; L137-V230 HydrophobicContact CB-CG1 3.87Å; L137-V230 HydrophobicContact CB-CG2 3.92Å; L137-V230 HydrophobicContact CD1-CG1 4.34Å; L137-V230 WeakPolarHBondContact O-CG2 3.22Å |
| 138 | I | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -49.9 | 177.3 | -60.9 | 166.8 | 0 | 0 | 0 | 110.7 | L124 I129 V134 F135 R136 R140 Q141 L142 L216 I221 V230 F232 W274 | L124-I138 HydrophobicContact CD1-CD1 3.94Å; I129-I138 HydrophobicContact CB-CD1 4.2Å; I129-I138 HydrophobicContact CG2-CD1 3.83Å; V134-I138 HydrophobicContact CG1-CD1 3.87Å; V134-I138 HydrophobicContact CG1-CG1 4.33Å; V134-I138 WeakPolarHBondContact O-CG1 3.36Å; V134-I138 PolarHBondContact O-N 3.1Å; F135-I138 PolarHBondContact O-N 3.09Å; R136-I138 VanDerWaalsContact C-N 3.33Å; R136-I138 PolarHBondContact O-N 2.96Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-R140 PolarHBondContact O-N 3.44Å; I138-Q141 PolarHBondContact O-N 3.33Å; I138-L142 WeakPolarHBondContact O-CB 3.44Å; I138-L142 PolarHBondContact O-N 2.96Å; I138-L216 HydrophobicContact CG2-CD2 4.35Å; I138-I221 HydrophobicContact CD1-CD1 3.84Å; I138-I221 HydrophobicContact CG1-CD1 4.15Å; I138-I221 HydrophobicContact CG1-CG2 4.21Å; I138-I221 HydrophobicContact CG2-CD1 4.11Å; I138-V230 HydrophobicContact CG1-CG1 4.42Å; I138-V230 HydrophobicContact CG1-CG2 4.35Å; I138-F232 HydrophobicContact CG2-CE1 4.27Å; I138-F232 HydrophobicContact CG2-CZ 4.29Å; I138-W274 HydrophobicContact CG2-CZ2 4.37Å |
| 139 | A | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F135 R136 L142 A143 W274 Y278 | F135-A139 WeakPolarHBondContact O-CB 3.17Å; F135-A139 PolarHBondContact O-N 3.48Å; R136-A139 PolarHBondContact O-N 2.82Å; A139-L142 PolarHBondContact O-N 2.91Å; A139-A143 WeakPolarHBondContact O-CB 3.45Å; A139-A143 PolarHBondContact O-N 3.09Å; A139-W274 HydrophobicContact CB-CD2 4.01Å; A139-W274 HydrophobicContact CB-CE3 4.41Å; A139-W274 HydrophobicContact CB-CH2 4.23Å; A139-W274 HydrophobicContact CB-CZ2 3.85Å; A139-Y278 WeakPolarHBondContact O-CD2 3.17Å |
| 140 | R | 97.9 | Very high | 93.2 | Very high | 94 Ų | 94 | 38.4 Ų | 38.4 | 36% | 0.355 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 177.6 | -67.6 | -175.3 | 65.7 | 75.6 | 1.9 | 112.3 | R136 I138 A143 K144 A281 E284 | R136-R140 WeakPolarHBondContact O-CB 3.19Å; R136-R140 WeakPolarHBondContact O-CG 3.26Å; R136-R140 PolarHBondContact O-N 3.42Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-R140 PolarHBondContact O-N 3.44Å; R140-A143 PolarHBondContact O-N 3.4Å; R140-K144 PolarHBondContact O-N 3.21Å; R140-A281 HydrophobicContact CB-CB 4.12Å; R140-A281 HydrophobicContact CG-CB 3.83Å; R140-E284 IonicContact CZ-OE2 3.5Å; R140-E284 IonicContact NH1-OE2 3.99Å; R140-E284 PolarHBondContact NH1-OE2 2.99Å; R140-E284 IonicContact NH2-OE1 3.89Å; R140-E284 PolarHBondContact NH2-OE1 3.05Å; R140-E284 IonicContact NH2-OE2 3.47Å; R140-E284 PolarHBondContact NH2-OE2 3.21Å |
| 141 | Q | 97.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | 178.8 | -178.5 | 59.2 | 26.1 | 0 | 0 | 111.9 | L137 I138 K144 Y145 V230 F232 | L137-Q141 VanDerWaalsContact O-CB 3.27Å; L137-Q141 WeakPolarHBondContact O-CB 3.48Å; L137-Q141 PolarHBondContact O-N 3.49Å; I138-Q141 PolarHBondContact O-N 3.33Å; Q141-K144 WeakPolarHBondContact O-CB 3.43Å; Q141-K144 PolarHBondContact O-N 3.15Å; Q141-Y145 PolarHBondContact O-N 3.46Å; Q141-V230 HydrophobicContact CB-CG2 3.67Å; Q141-V230 HydrophobicContact CG-CG2 4.08Å; Q141-F232 HydrophobicContact CB-CE1 4.23Å; Q141-F232 HydrophobicContact CB-CE2 4.29Å; Q141-F232 HydrophobicContact CB-CZ 3.77Å; Q141-F232 HydrophobicContact CG-CD1 4.34Å; Q141-F232 HydrophobicContact CG-CD2 4.21Å; Q141-F232 HydrophobicContact CG-CE1 3.89Å; Q141-F232 HydrophobicContact CG-CE2 3.76Å; Q141-F232 HydrophobicContact CG-CG 4.49Å; Q141-F232 HydrophobicContact CG-CZ 3.58Å |
| 142 | L | 98.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.8 | -38.6 | 174.5 | -167.5 | 62.3 | 0 | 0 | 0 | 111.8 | I138 A139 K144 Y145 H146 L216 F232 I247 W274 Y278 | I138-L142 WeakPolarHBondContact O-CB 3.44Å; I138-L142 PolarHBondContact O-N 2.96Å; A139-L142 PolarHBondContact O-N 2.91Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.49Å; L142-Y145 WeakPolarHBondContact O-CB 3.35Å; L142-Y145 PolarHBondContact O-N 3.37Å; L142-H146 WeakPolarHBondContact CD1-NE2 3.33Å; L142-H146 WeakPolarHBondContact O-CB 3.42Å; L142-H146 PolarHBondContact O-N 2.97Å; L142-L216 HydrophobicContact CD1-CD2 4.04Å; L142-L216 HydrophobicContact CD2-CD2 4.1Å; L142-F232 HydrophobicContact CB-CE2 3.99Å; L142-F232 HydrophobicContact CB-CZ 4.03Å; L142-F232 HydrophobicContact CD1-CE2 3.78Å; L142-F232 HydrophobicContact CD1-CZ 4.46Å; L142-I247 HydrophobicContact CD2-CG1 3.97Å; L142-W274 HydrophobicContact CD2-CH2 3.98Å; L142-Y278 HydrophobicContact CB-CD2 4.49Å; L142-Y278 HydrophobicContact CB-CE2 4.39Å; L142-Y278 HydrophobicContact CG-CE2 4.32Å |
| 143 | A | 98.3 | Very high | 90 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A139 R140 Y145 H146 A147 Y278 A281 | A139-A143 WeakPolarHBondContact O-CB 3.45Å; A139-A143 PolarHBondContact O-N 3.09Å; R140-A143 PolarHBondContact O-N 3.4Å; A143-Y145 VanDerWaalsContact C-N 3.33Å; A143-Y145 PolarHBondContact O-N 3.5Å; A143-H146 PolarHBondContact O-N 3.36Å; A143-A147 WeakPolarHBondContact O-CB 3.42Å; A143-A147 PolarHBondContact O-N 3.25Å; A143-Y278 VanDerWaalsContact CA-CE2 3.43Å; A143-Y278 HydrophobicContact CB-CD2 3.8Å; A143-Y278 HydrophobicContact CB-CE2 3.78Å; A143-Y278 HydrophobicContact CB-CG 4.45Å; A143-Y278 WeakPolarHBondContact CB-O 3.37Å; A143-A281 HydrophobicContact CB-CB 3.72Å |
| 144 | K | 97.3 | Very high | 89.4 | Confident | 53 Ų | 53 | 40.9 Ų | 40.9 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 173.6 | -171.1 | -174.4 | 171 | -167.6 | 0 | 112.1 | H100 R101 R140 Q141 L142 A147 H285 | H100-K144 VanDerWaalsContact O-CE 3.3Å; H100-K144 WeakPolarHBondContact O-CE 3.19Å; H100-K144 PolarHBondContact O-NZ 2.82Å; R101-K144 PolarHBondContact O-NZ 3.49Å; R140-K144 PolarHBondContact O-N 3.21Å; Q141-K144 WeakPolarHBondContact O-CB 3.43Å; Q141-K144 PolarHBondContact O-N 3.15Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.49Å; K144-A147 PolarHBondContact O-N 3.43Å; K144-H285 VanDerWaalsContact CA-CD2 3.4Å; K144-H285 WeakPolarHBondContact CA-CD2 3.35Å; K144-H285 WeakPolarHBondContact CB-NE2 3.24Å; K144-H285 PolarHBondContact N-CD2 3.44Å |
| 145 | Y | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 178 | -165.3 | -65.3 | 0 | 0 | 0 | 110.8 | L97 C102 Q141 L142 A143 A147 I148 L211 F232 Y235 A238 | L97-Y145 HydrophobicContact CD1-CE2 3.61Å; L97-Y145 WeakPolarHBondContact CD1-OH 3.31Å; L97-Y145 HydrophobicContact CD2-CD1 3.94Å; L97-Y145 HydrophobicContact CD2-CD2 3.58Å; L97-Y145 HydrophobicContact CD2-CE1 3.61Å; L97-Y145 HydrophobicContact CD2-CE2 3.22Å; L97-Y145 HydrophobicContact CD2-CG 3.94Å; L97-Y145 HydrophobicContact CG-CE2 3.99Å; C102-Y145 HydrophobicContact CB-CD2 4.34Å; Q141-Y145 PolarHBondContact O-N 3.46Å; L142-Y145 WeakPolarHBondContact O-CB 3.35Å; L142-Y145 PolarHBondContact O-N 3.37Å; A143-Y145 VanDerWaalsContact C-N 3.33Å; A143-Y145 PolarHBondContact O-N 3.5Å; Y145-A147 VanDerWaalsContact C-N 3.27Å; Y145-A147 PolarHBondContact O-N 2.95Å; Y145-I148 WeakPolarHBondContact O-CB 3.38Å; Y145-I148 WeakPolarHBondContact O-CD1 3.37Å; Y145-I148 WeakPolarHBondContact O-CG1 3.46Å; Y145-I148 PolarHBondContact O-N 3.24Å; Y145-L211 VanDerWaalsContact CD1-O 3.23Å; Y145-L211 WeakPolarHBondContact CD1-O 3.22Å; Y145-L211 HydrophobicContact CE1-CD2 4.33Å; Y145-L211 HydrophobicContact CE1-CG 3.88Å; Y145-L211 WeakPolarHBondContact CE1-O 3.16Å; Y145-F232 AromaticContact CD2-CD2 3.94Å; Y145-F232 HydrophobicContact CD2-CD2 3.94Å; Y145-F232 HydrophobicContact CD2-CE2 4.5Å; Y145-F232 HydrophobicContact CE2-CD2 4.43Å; Y145-Y235 HydrophobicContact CE2-CD1 4.49Å; Y145-Y235 HydrophobicContact CE2-CE1 4.41Å; Y145-A238 WeakPolarHBondContact OH-CB 3.48Å |
| 146 | H | 96.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.2 | -22.4 | -179.6 | -69.6 | 177.4 | 0 | 0 | 0 | 113.9 | L142 A143 I148 V210 L211 D246 Y278 Y282 | L142-H146 WeakPolarHBondContact CD1-NE2 3.33Å; L142-H146 WeakPolarHBondContact O-CB 3.42Å; L142-H146 PolarHBondContact O-N 2.97Å; A143-H146 PolarHBondContact O-N 3.36Å; H146-I148 VanDerWaalsContact C-N 3.25Å; H146-I148 PolarHBondContact O-N 3.21Å; H146-V210 HydrophobicContact CB-CB 4.19Å; H146-V210 HydrophobicContact CB-CG2 3.85Å; H146-L211 PolarHBondContact CD2-O 2.89Å; H146-D246 IonicContact CE1-OD2 2.8Å; H146-D246 IonicContact NE2-OD2 2.9Å; H146-D246 PolarHBondContact NE2-OD2 2.85Å; H146-Y278 WeakPolarHBondContact CB-OH 3.37Å; H146-Y278 AromaticContact ND1-CE2 3.61Å; H146-Y278 AromaticContact ND1-CZ 3.55Å; H146-Y278 PolarHBondContact ND1-OH 3.12Å; H146-Y282 HydrophobicContact CB-CD2 4.25Å; H146-Y282 HydrophobicContact CB-CE2 3.93Å |
| 147 | A | 95.4 | Very high | 88 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A143 K144 Y145 H149 Y282 H285 K286 | A143-A147 WeakPolarHBondContact O-CB 3.42Å; A143-A147 PolarHBondContact O-N 3.25Å; K144-A147 PolarHBondContact O-N 3.43Å; Y145-A147 VanDerWaalsContact C-N 3.27Å; Y145-A147 PolarHBondContact O-N 2.95Å; A147-H149 PolarHBondContact O-CE1 2.85Å; A147-H149 PolarHBondContact O-N 3.26Å; A147-H149 PolarHBondContact O-ND1 3.19Å; A147-Y282 HydrophobicContact CB-CD2 4.29Å; A147-Y282 HydrophobicContact CB-CE2 4.18Å; A147-H285 HydrophobicContact CB-CB 3.55Å; A147-K286 HydrophobicContact CB-CD 4.15Å; A147-K286 HydrophobicContact CB-CG 4.26Å |
| 148 | I | 92.9 | Very high | 87.8 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 119.6 | 174 | -62.9 | 169.4 | 0 | 0 | 0 | 108.8 | V96 L97 H100 C102 Y145 H146 L211 | V96-I148 HydrophobicContact CG1-CG2 3.75Å; L97-I148 HydrophobicContact CD2-CD1 3.76Å; H100-I148 HydrophobicContact CB-CD1 3.61Å; H100-I148 HydrophobicContact CB-CG1 3.89Å; H100-I148 VanDerWaalsContact CD2-CG2 3.48Å; H100-I148 WeakPolarHBondContact CD2-CG2 3.33Å; C102-I148 HydrophobicContact CB-CD1 4.48Å; Y145-I148 WeakPolarHBondContact O-CB 3.38Å; Y145-I148 WeakPolarHBondContact O-CD1 3.37Å; Y145-I148 WeakPolarHBondContact O-CG1 3.46Å; Y145-I148 PolarHBondContact O-N 3.24Å; H146-I148 VanDerWaalsContact C-N 3.25Å; H146-I148 PolarHBondContact O-N 3.21Å; I148-L211 HydrophobicContact CB-CD2 4.49Å; I148-L211 HydrophobicContact CG2-CD2 4.26Å |
| 149 | H | 82.4 | Confident | 87.4 | Confident | 110 Ų | 110 | 46 Ų | 46 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -80.1 | 146.9 | -176.7 | -67.7 | 75.2 | 0 | 0 | 0 | 111.1 | A147 H151 K286 | A147-H149 PolarHBondContact O-CE1 2.85Å; A147-H149 PolarHBondContact O-N 3.26Å; A147-H149 PolarHBondContact O-ND1 3.19Å; H149-H151 PolarHBondContact O-N 3.14Å; H149-K286 PolarHBondContact CE1-NZ 2.85Å; H149-K286 PolarHBondContact NE2-NZ 2.84Å |
| 150 | A | 75.1 | Confident | 87.2 | Confident | 21 Ų | 21 | 46.1 Ų | 46.1 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 123.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | W154 Y240 | A150-W154 WeakPolarHBondContact CB-O 3.32Å; A150-Y240 VanDerWaalsContact CA-OH 3.22Å; A150-Y240 WeakPolarHBondContact CA-OH 3.41Å; A150-Y240 HydrophobicContact CB-CE1 4.33Å; A150-Y240 VanDerWaalsContact CB-OH 3.23Å; A150-Y240 WeakPolarHBondContact CB-OH 3.49Å |
| 151 | H | 66.7 | Low | 87.1 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -60.4 | 152.3 | 178.1 | -63.8 | -74.6 | 0 | 0 | 0 | 111.4 | H6 P8 H149 G153 | H6-H151 HydrophobicContact CB-CB 4.09Å; H6-H151 PolarHBondContact O-CD2 3.27Å; H6-H151 VanDerWaalsContact O-CD2 3.25Å; P8-H151 VanDerWaalsContact CB-CE1 3.42Å; P8-H151 WeakPolarHBondContact CB-CE1 3.29Å; P8-H151 VanDerWaalsContact CD-NE2 3.25Å; P8-H151 WeakPolarHBondContact CD-NE2 3.25Å; P8-H151 VanDerWaalsContact CG-CE1 3.43Å; P8-H151 WeakPolarHBondContact CG-CE1 3.37Å; P8-H151 VanDerWaalsContact CG-NE2 3.25Å; P8-H151 WeakPolarHBondContact CG-NE2 3.46Å; H149-H151 PolarHBondContact O-N 3.14Å; H151-G153 VanDerWaalsContact C-N 3.34Å; H151-G153 PolarHBondContact O-N 2.91Å |
| 152 | N | 63.6 | Low | 86.9 | Confident | 131 Ų | 131 | 46.5 Ų | 46.5 | 70% | 0.701 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | 63.8 | 27.7 | 173 | -55.1 | -26.3 | 0 | 0 | 0 | 115.6 | W154 | N152-W154 PolarHBondContact O-N 3.21Š|
| 153 | G | 64.1 | Low | 86.6 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 78% | 0.784 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | 70.7 | 16 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H151 | H151-G153 VanDerWaalsContact C-N 3.34Å; H151-G153 PolarHBondContact O-N 2.91Å |
| 154 | W | 75.6 | Confident | 86.5 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | trans | -72 | 136.1 | 178.2 | -76 | 77.6 | 0 | 0 | 0 | 111.3 | M1 A2 A150 N152 P156 | M1-W154 VanDerWaalsContact C-CE3 3.48Å; M1-W154 VanDerWaalsContact C-CZ3 3.47Å; M1-W154 VanDerWaalsContact N-CE3 3.33Å; M1-W154 VanDerWaalsContact N-CZ3 3.26Å; M1-W154 WeakPolarHBondContact O-CZ3 3.43Å; A2-W154 HydrophobicContact CB-CD2 4.09Å; A2-W154 HydrophobicContact CB-CE3 3.37Å; A2-W154 HydrophobicContact CB-CZ3 3.74Å; A150-W154 WeakPolarHBondContact CB-O 3.32Å; N152-W154 PolarHBondContact O-N 3.21Å; W154-P156 VanDerWaalsContact O-CD 3.3Å; W154-P156 WeakPolarHBondContact O-CD 3.25Å | ||
| 155 | V | 80.6 | Confident | 86.4 | Confident | 98 Ų | 98 | 46.9 Ų | 46.9 | 59% | 0.594 | 26% | 0.259 | S | S | * | . | trans | -80.1 | 114.2 | 168.2 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 156 | P | 86.3 | Confident | 86.2 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 153.3 | 179.1 | 30 | -34.8 | 0 | 0 | 0 | 111 | W154 V209 Y240 | W154-P156 VanDerWaalsContact O-CD 3.3Å; W154-P156 WeakPolarHBondContact O-CD 3.25Å; P156-V209 HydrophobicContact CB-CG1 3.98Å; P156-V209 HydrophobicContact CG-CB 4.35Å; P156-V209 HydrophobicContact CG-CG1 4.1Å; P156-V209 WeakPolarHBondContact CG-O 3.42Å; P156-Y240 HydrophobicContact CB-CD1 3.31Å; P156-Y240 HydrophobicContact CB-CD2 3.91Å; P156-Y240 HydrophobicContact CB-CE1 3.63Å; P156-Y240 HydrophobicContact CB-CE2 4.16Å; P156-Y240 HydrophobicContact CB-CG 3.49Å; P156-Y240 VanDerWaalsContact CB-CG 3.49Å; P156-Y240 HydrophobicContact CG-CD1 4.06Å; P156-Y240 HydrophobicContact CG-CE1 4.19Å |
| 157 | R | 89.9 | Confident | 86 | Confident | 115 Ų | 115 | 53 Ų | 53 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | trans | -124.2 | 141.8 | 172.8 | -65.6 | -170.3 | -62.3 | -175.5 | 2.5 | 110.2 | M1 A2 Y240 | M1-R157 HydrophobicContact CB-CG 4.41Å; A2-R157 PolarHBondContact O-N 3.28Å; R157-Y240 WeakPolarHBondContact O-CB 3.26Å | ||
| 158 | S | 92.3 | Very high | 85.7 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 16% | 0.161 | 29% | 0.287 | C | S | . | . | trans | -70.6 | 135.3 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | L160 Y240 N241 Y242 | S158-L160 VanDerWaalsContact OG-CB 3.27Å; S158-L160 WeakPolarHBondContact OG-CB 3.38Å; S158-L160 PolarHBondContact OG-N 3.3Å; S158-L160 VanDerWaalsContact OG-N 3.15Å; S158-Y240 WeakPolarHBondContact CA-O 3.38Å; S158-N241 PolarHBondContact OG-OD1 2.9Å; S158-Y242 VanDerWaalsContact CB-CE2 3.48Å; S158-Y242 VanDerWaalsContact OG-CE2 3.3Å; S158-Y242 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 159 | D | 88.9 | Confident | 85.5 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | trans | -95.2 | 3.1 | 172.6 | 71.7 | -0 | 0 | 0 | 0 | 113.6 | W161 L162 K163 Y240 | D159-W161 PolarHBondContact O-N 3.18Å; D159-L162 WeakPolarHBondContact O-CB 3.23Å; D159-L162 PolarHBondContact O-N 3.19Å; D159-L162 VanDerWaalsContact O-N 3.14Å; D159-K163 VanDerWaalsContact CG-CE 3.47Å; D159-K163 PolarHBondContact O-N 3.25Å; D159-K163 WeakPolarHBondContact OD1-CD 3.44Å; D159-K163 IonicContact OD1-NZ 2.63Å; D159-K163 PolarHBondContact OD1-NZ 2.75Å; D159-K163 WeakPolarHBondContact OD2-CE 3.39Å; D159-K163 IonicContact OD2-NZ 3.55Å; D159-K163 PolarHBondContact OD2-NZ 2.82Å; D159-Y240 PolarHBondContact N-O 2.83Å | ||
| 160 | L | 95.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.3 | -52.4 | -174 | -179.4 | 62.9 | 0 | 0 | 0 | 112.7 | S158 L162 K163 M164 N241 Y242 Y245 A310 F314 | S158-L160 VanDerWaalsContact OG-CB 3.27Å; S158-L160 WeakPolarHBondContact OG-CB 3.38Å; S158-L160 PolarHBondContact OG-N 3.3Å; S158-L160 VanDerWaalsContact OG-N 3.15Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.25Å; L160-K163 PolarHBondContact O-N 3.46Å; L160-M164 HydrophobicContact CD1-CE 3.84Å; L160-M164 HydrophobicContact CG-CE 4.19Å; L160-M164 HydrophobicContact CG-SD 4.49Å; L160-M164 WeakPolarHBondContact O-CG 3.44Å; L160-M164 PolarHBondContact O-N 3.46Å; L160-N241 WeakPolarHBondContact CB-OD1 2.86Å; L160-Y242 HydrophobicContact CD2-CD2 4.13Å; L160-Y242 HydrophobicContact CD2-CE2 4.37Å; L160-Y245 HydrophobicContact CD1-CD2 4.1Å; L160-Y245 HydrophobicContact CD1-CE1 4.5Å; L160-Y245 HydrophobicContact CD1-CE2 3.62Å; L160-Y245 HydrophobicContact CD2-CD2 3.66Å; L160-Y245 HydrophobicContact CD2-CE2 3.99Å; L160-Y245 HydrophobicContact CD2-CG 4.27Å; L160-Y245 HydrophobicContact CG-CE2 4.47Å; L160-A310 HydrophobicContact CD2-CB 4.47Å; L160-F314 HydrophobicContact CD1-CD2 3.94Å; L160-F314 HydrophobicContact CD1-CE2 4.43Å |
| 161 | W | 95.5 | Very high | 86.4 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -177.9 | -51.1 | 129.6 | 0 | 0 | 0 | 111.9 | D159 M164 G165 L195 L198 Q199 L202 S203 Y242 F307 A310 | D159-W161 PolarHBondContact O-N 3.18Å; W161-M164 HydrophobicContact CE3-SD 3.93Å; W161-M164 HydrophobicContact CZ3-SD 3.9Å; W161-G165 PolarHBondContact O-N 2.73Å; W161-L195 HydrophobicContact CE3-CD1 4.25Å; W161-L198 HydrophobicContact CH2-CB 4.12Å; W161-L198 HydrophobicContact CZ3-CB 3.91Å; W161-Q199 HydrophobicContact CB-CG 4.5Å; W161-Q199 HydrophobicContact CD2-CB 4Å; W161-Q199 HydrophobicContact CD2-CG 3.96Å; W161-Q199 HydrophobicContact CE3-CB 4.12Å; W161-Q199 HydrophobicContact CG-CB 4.4Å; W161-Q199 HydrophobicContact CG-CG 3.89Å; W161-L202 HydrophobicContact CH2-CB 4.16Å; W161-L202 HydrophobicContact CH2-CD1 3.77Å; W161-L202 HydrophobicContact CH2-CG 4.45Å; W161-L202 HydrophobicContact CZ2-CB 4.01Å; W161-L202 HydrophobicContact CZ2-CD1 4.43Å; W161-S203 PolarHBondContact NE1-OG 3.29Å; W161-Y242 HydrophobicContact CZ2-CE2 4.16Å; W161-Y242 AromaticContact NE1-CE2 3.74Å; W161-Y242 AromaticContact NE1-CZ 3.86Å; W161-Y242 PolarHBondContact NE1-OH 3.42Å; W161-F307 HydrophobicContact CZ2-CE1 4.36Å; W161-A310 HydrophobicContact CH2-CB 4.43Å |
| 162 | L | 93.1 | Very high | 87.2 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 175.8 | -179.1 | 66.5 | 0 | 0 | 0 | 110.8 | D159 L160 G165 K166 | D159-L162 WeakPolarHBondContact O-CB 3.23Å; D159-L162 PolarHBondContact O-N 3.19Å; D159-L162 VanDerWaalsContact O-N 3.14Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.25Å; L162-G165 PolarHBondContact O-N 3.21Å; L162-K166 WeakPolarHBondContact O-CG 3.22Å; L162-K166 PolarHBondContact O-N 2.87Å |
| 163 | K | 93.6 | Very high | 88.1 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -50.1 | 175.6 | -79.7 | 177.5 | 171.9 | 150.7 | 0 | 111.4 | D159 L160 G165 K166 Y167 F314 | D159-K163 VanDerWaalsContact CG-CE 3.47Å; D159-K163 PolarHBondContact O-N 3.25Å; D159-K163 WeakPolarHBondContact OD1-CD 3.44Å; D159-K163 IonicContact OD1-NZ 2.63Å; D159-K163 PolarHBondContact OD1-NZ 2.75Å; D159-K163 WeakPolarHBondContact OD2-CE 3.39Å; D159-K163 IonicContact OD2-NZ 3.55Å; D159-K163 PolarHBondContact OD2-NZ 2.82Å; L160-K163 PolarHBondContact O-N 3.46Å; K163-G165 VanDerWaalsContact C-N 3.29Å; K163-G165 PolarHBondContact O-N 3.47Å; K163-K166 WeakPolarHBondContact O-CB 3.3Å; K163-K166 PolarHBondContact O-N 2.89Å; K163-K166 VanDerWaalsContact O-N 3.12Å; K163-Y167 WeakPolarHBondContact O-CD1 3.47Å; K163-Y167 PolarHBondContact O-N 3.36Å; K163-F314 HydrophobicContact CB-CE2 4.17Å |
| 164 | M | 95.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 175.9 | -72.4 | -179.1 | 173.6 | 0 | 0 | 112.4 | L160 W161 Y167 F168 L195 A310 F313 F314 L317 | L160-M164 HydrophobicContact CD1-CE 3.84Å; L160-M164 HydrophobicContact CG-CE 4.19Å; L160-M164 HydrophobicContact CG-SD 4.49Å; L160-M164 WeakPolarHBondContact O-CG 3.44Å; L160-M164 PolarHBondContact O-N 3.46Å; W161-M164 HydrophobicContact CE3-SD 3.93Å; W161-M164 HydrophobicContact CZ3-SD 3.9Å; M164-Y167 PolarHBondContact O-N 3.4Å; M164-F168 WeakPolarHBondContact O-CB 3.5Å; M164-F168 PolarHBondContact O-N 3.05Å; M164-L195 HydrophobicContact CB-CD1 3.63Å; M164-L195 HydrophobicContact CB-CD2 4.4Å; M164-L195 HydrophobicContact CG-CD1 4.28Å; M164-L195 HydrophobicContact SD-CD1 3.6Å; M164-A310 HydrophobicContact CE-CB 4.27Å; M164-A310 WeakPolarHBondContact CE-O 3.44Å; M164-F313 HydrophobicContact CE-CD1 4.26Å; M164-F313 HydrophobicContact SD-CD1 4.07Å; M164-F314 HydrophobicContact CE-CB 3.53Å; M164-F314 HydrophobicContact CE-CD2 3.99Å; M164-F314 HydrophobicContact CE-CG 4.27Å; M164-F314 HydrophobicContact CG-CD2 3.88Å; M164-L317 HydrophobicContact CB-CD1 4.25Å; M164-L317 HydrophobicContact CG-CD1 4.32Å |
| 165 | G | 94.2 | Very high | 88.5 | Confident | 25 Ų | 25 | 48 Ų | 48 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W161 L162 K163 T169 | W161-G165 PolarHBondContact O-N 2.73Å; L162-G165 PolarHBondContact O-N 3.21Å; K163-G165 VanDerWaalsContact C-N 3.29Å; K163-G165 PolarHBondContact O-N 3.47Å; G165-T169 PolarHBondContact O-N 3.22Å; G165-T169 PolarHBondContact O-OG1 3.43Å |
| 166 | K | 92.8 | Very high | 87.9 | Confident | 125 Ų | 125 | 50.9 Ų | 50.9 | 54% | 0.543 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 172.9 | -71.7 | 175.4 | -179.1 | 178.6 | 0 | 111 | L162 K163 F168 T169 L170 | L162-K166 WeakPolarHBondContact O-CG 3.22Å; L162-K166 PolarHBondContact O-N 2.87Å; K163-K166 WeakPolarHBondContact O-CB 3.3Å; K163-K166 PolarHBondContact O-N 2.89Å; K163-K166 VanDerWaalsContact O-N 3.12Å; K166-F168 PolarHBondContact O-N 3.2Å; K166-T169 WeakPolarHBondContact O-CB 3.2Å; K166-T169 PolarHBondContact O-N 3.35Å; K166-T169 VanDerWaalsContact O-N 3.16Å; K166-L170 PolarHBondContact O-N 3.37Å |
| 167 | Y | 92.8 | Very high | 86.7 | Confident | 6 Ų | 6 | 55 Ų | 55 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 177.9 | -72.7 | 5.7 | 0 | 0 | 0 | 111.5 | L84 K163 M164 T169 L170 I171 F314 L317 W318 I321 | L84-Y167 HydrophobicContact CB-CE1 4.4Å; L84-Y167 HydrophobicContact CD2-CD1 3.81Å; L84-Y167 HydrophobicContact CD2-CE1 3.33Å; L84-Y167 HydrophobicContact CD2-CE2 4.4Å; L84-Y167 HydrophobicContact CG-CE1 4.46Å; L84-Y167 PolarHBondContact O-OH 2.94Å; K163-Y167 WeakPolarHBondContact O-CD1 3.47Å; K163-Y167 PolarHBondContact O-N 3.36Å; M164-Y167 PolarHBondContact O-N 3.4Å; Y167-T169 VanDerWaalsContact C-N 3.29Å; Y167-T169 PolarHBondContact O-N 3.19Å; Y167-L170 WeakPolarHBondContact O-CB 3.22Å; Y167-L170 PolarHBondContact O-N 3.46Å; Y167-L170 VanDerWaalsContact O-N 3.16Å; Y167-I171 WeakPolarHBondContact O-CG1 3.4Å; Y167-I171 PolarHBondContact O-N 2.87Å; Y167-F314 HydrophobicContact CD2-CE2 4.3Å; Y167-F314 HydrophobicContact CD2-CZ 4.5Å; Y167-F314 HydrophobicContact CE2-CD2 4.39Å; Y167-F314 HydrophobicContact CE2-CE1 4.09Å; Y167-F314 AromaticContact CE2-CE2 3.69Å; Y167-F314 HydrophobicContact CE2-CE2 3.69Å; Y167-F314 AromaticContact CE2-CZ 3.51Å; Y167-F314 HydrophobicContact CE2-CZ 3.51Å; Y167-F314 AromaticContact CZ-CZ 3.99Å; Y167-L317 HydrophobicContact CD2-CB 4.3Å; Y167-W318 HydrophobicContact CE2-CB 4.22Å; Y167-I321 HydrophobicContact CD1-CD1 3.93Å; Y167-I321 HydrophobicContact CD2-CD1 4.27Å; Y167-I321 HydrophobicContact CG-CD1 3.68Å |
| 168 | F | 88.3 | Confident | 84.9 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 175.5 | -175.4 | -94.7 | 0 | 0 | 0 | 112.4 | M164 K166 I171 S172 P188 L191 R192 | M164-F168 WeakPolarHBondContact O-CB 3.5Å; M164-F168 PolarHBondContact O-N 3.05Å; K166-F168 PolarHBondContact O-N 3.2Å; F168-I171 PolarHBondContact O-N 3.41Å; F168-S172 WeakPolarHBondContact CE1-OG 3.38Å; F168-S172 WeakPolarHBondContact O-CB 3.15Å; F168-S172 PolarHBondContact O-N 3.2Å; F168-S172 PolarHBondContact O-OG 3.24Å; F168-P188 HydrophobicContact CE2-CB 4.26Å; F168-P188 WeakPolarHBondContact CE2-O 3.38Å; F168-P188 HydrophobicContact CZ-CB 3.99Å; F168-P188 VanDerWaalsContact CZ-O 3.31Å; F168-P188 WeakPolarHBondContact CZ-O 3.28Å; F168-L191 HydrophobicContact CD2-CB 4.23Å; F168-L191 HydrophobicContact CE2-CB 3.81Å; F168-R192 HydrophobicContact CE1-CB 4.35Å; F168-R192 HydrophobicContact CE2-CB 4.15Å; F168-R192 HydrophobicContact CZ-CB 3.76Å; F168-R192 HydrophobicContact CZ-CG 4.5Å |
| 169 | T | 89.6 | Confident | 83.2 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176 | -59 | 0 | 0 | 0 | 0 | 111.7 | G165 K166 Y167 S172 K173 | G165-T169 PolarHBondContact O-N 3.22Å; G165-T169 PolarHBondContact O-OG1 3.43Å; K166-T169 WeakPolarHBondContact O-CB 3.2Å; K166-T169 PolarHBondContact O-N 3.35Å; K166-T169 VanDerWaalsContact O-N 3.16Å; Y167-T169 VanDerWaalsContact C-N 3.29Å; Y167-T169 PolarHBondContact O-N 3.19Å; T169-S172 PolarHBondContact O-N 2.92Å; T169-K173 WeakPolarHBondContact O-CG 3.13Å; T169-K173 PolarHBondContact O-N 3.01Å |
| 170 | L | 88.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 174.8 | -71.4 | 170.2 | 0 | 0 | 0 | 111.2 | K166 Y167 S172 K173 C174 I321 | K166-L170 PolarHBondContact O-N 3.37Å; Y167-L170 WeakPolarHBondContact O-CB 3.22Å; Y167-L170 PolarHBondContact O-N 3.46Å; Y167-L170 VanDerWaalsContact O-N 3.16Å; L170-S172 VanDerWaalsContact C-N 3.27Å; L170-S172 PolarHBondContact O-N 2.98Å; L170-K173 WeakPolarHBondContact O-CB 3.09Å; L170-K173 PolarHBondContact O-N 2.78Å; L170-C174 PolarHBondContact O-N 3.23Å; L170-C174 PolarHBondContact O-SG 2.93Å; L170-I321 HydrophobicContact CB-CD1 4.26Å; L170-I321 HydrophobicContact CD1-CD1 4.28Å |
| 171 | I | 86.8 | Confident | 79.5 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 177.7 | -67.3 | 162.4 | 0 | 0 | 0 | 111.3 | Y167 F168 K173 C174 F175 L317 L320 I321 | Y167-I171 WeakPolarHBondContact O-CG1 3.4Å; Y167-I171 PolarHBondContact O-N 2.87Å; F168-I171 PolarHBondContact O-N 3.41Å; I171-K173 PolarHBondContact O-N 3.44Å; I171-C174 PolarHBondContact O-N 3.43Å; I171-F175 HydrophobicContact CG2-CD2 3.95Å; I171-F175 PolarHBondContact O-N 3.23Å; I171-L317 HydrophobicContact CD1-CB 3.9Å; I171-L317 HydrophobicContact CD1-CD2 3.48Å; I171-L317 VanDerWaalsContact CD1-CD2 3.48Å; I171-L317 HydrophobicContact CD1-CG 4.27Å; I171-L320 HydrophobicContact CD1-CB 4.1Å; I171-L320 HydrophobicContact CD1-CD1 4.28Å; I171-L320 HydrophobicContact CG1-CB 4.3Å; I171-I321 HydrophobicContact CD1-CD1 4.37Å; I171-I321 HydrophobicContact CD1-CG1 4.06Å; I171-I321 HydrophobicContact CG1-CD1 4.18Å; I171-I321 HydrophobicContact CG1-CG1 3.55Å |
| 172 | S | 83.6 | Confident | 77.5 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -30.4 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | F168 T169 L170 | F168-S172 WeakPolarHBondContact CE1-OG 3.38Å; F168-S172 WeakPolarHBondContact O-CB 3.15Å; F168-S172 PolarHBondContact O-N 3.2Å; F168-S172 PolarHBondContact O-OG 3.24Å; T169-S172 PolarHBondContact O-N 2.92Å; L170-S172 VanDerWaalsContact C-N 3.27Å; L170-S172 PolarHBondContact O-N 2.98Å |
| 173 | K | 82.9 | Confident | 76 | Confident | 157 Ų | 157 | 70.5 Ų | 70.5 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -79.7 | -35.5 | 175.5 | -69.9 | 174.1 | -179.7 | -178.1 | 0 | 112.6 | T169 L170 I171 | T169-K173 WeakPolarHBondContact O-CG 3.13Å; T169-K173 PolarHBondContact O-N 3.01Å; L170-K173 WeakPolarHBondContact O-CB 3.09Å; L170-K173 PolarHBondContact O-N 2.78Å; I171-K173 PolarHBondContact O-N 3.44Å |
| 174 | C | 75.3 | Confident | 75 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -90 | -23 | -170.1 | -61.9 | 0 | 0 | 0 | 0 | 114.7 | L170 I171 F325 | L170-C174 PolarHBondContact O-N 3.23Å; L170-C174 PolarHBondContact O-SG 2.93Å; I171-C174 PolarHBondContact O-N 3.43Å; C174-F325 HydrophobicContact CB-CE2 4.47Å; C174-F325 HydrophobicContact CB-CZ 4.49Å; C174-F325 VanDerWaalsContact SG-CE2 3.54Å; C174-F325 WeakPolarHBondContact SG-CZ 3.48Å |
| 175 | F | 73.5 | Confident | 74.4 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 5% | 0.048 | 39% | 0.392 | C | S | . | . | trans | -119.5 | 108.8 | -178.2 | -66.6 | -92.6 | 0 | 0 | 0 | 109 | I171 R180 L183 L320 K324 | I171-F175 HydrophobicContact CG2-CD2 3.95Å; I171-F175 PolarHBondContact O-N 3.23Å; F175-R180 PolarHBondContact O-NH1 2.92Å; F175-R180 VanDerWaalsContact O-NH1 3.1Å; F175-R180 PolarHBondContact O-NH2 3.22Å; F175-L183 HydrophobicContact CD1-CD1 3.97Å; F175-L183 HydrophobicContact CE1-CD1 4.15Å; F175-L320 WeakPolarHBondContact CE2-O 3.46Å; F175-L320 VanDerWaalsContact CZ-O 3.24Å; F175-L320 WeakPolarHBondContact CZ-O 3.46Å; F175-K324 HydrophobicContact CE1-CG 3.98Å; F175-K324 HydrophobicContact CE2-CG 3.85Å; F175-K324 HydrophobicContact CZ-CB 4.31Å; F175-K324 HydrophobicContact CZ-CG 3.45Å; F175-K324 VanDerWaalsContact CZ-CG 3.45Å | ||
| 176 | K | 68.4 | Low | 73.9 | Confident | 157 Ų | 157 | 77.5 Ų | 77.5 | 68% | 0.683 | 39% | 0.388 | S | S | * | . | trans | -83.8 | 158.8 | 171.6 | -66.7 | -176.8 | -178.8 | 178.7 | 0 | 109.5 | H178 D179 | K176-H178 PolarHBondContact O-N 3.21Å; K176-H178 VanDerWaalsContact O-N 3.13Å; K176-D179 PolarHBondContact O-N 2.96Å | ||
| 177 | D | 59.6 | Low | 73.5 | Confident | 115 Ų | 115 | 73.2 Ų | 73.2 | 62% | 0.615 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.4 | -173.7 | -67.4 | -30 | 0 | 0 | 0 | 114.1 | R180 | D177-R180 PolarHBondContact O-N 2.99Å; D177-R180 IonicContact OD1-NH1 3.74Å; D177-R180 PolarHBondContact OD1-NH1 3.07Å |
| 178 | H | 53.1 | Low | 73 | Confident | 167 Ų | 167 | 74.2 Ų | 74.2 | 77% | 0.773 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -71.9 | -25.4 | 174.6 | -66.8 | -68.2 | 0 | 0 | 0 | 114.2 | K176 R180 | K176-H178 PolarHBondContact O-N 3.21Å; K176-H178 VanDerWaalsContact O-N 3.13Å; H178-R180 PolarHBondContact O-N 3.11Å |
| 179 | D | 56.3 | Low | 72.9 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -76.9 | -9.9 | 176.5 | -64.4 | -42.6 | 0 | 0 | 0 | 112.2 | K176 L183 | K176-D179 PolarHBondContact O-N 2.96Å; D179-L183 WeakPolarHBondContact O-CD1 3.39Å; D179-L183 WeakPolarHBondContact O-CG 3.47Å |
| 180 | R | 55.8 | Low | 72.9 | Confident | 46 Ų | 46 | 79.3 Ų | 79.3 | 17% | 0.174 | 41% | 0.41 | C | S | . | . | trans | -101.6 | -13.1 | -166.1 | -68 | -175.6 | 169 | 125.8 | 3.2 | 115.8 | F175 D177 H178 N182 L183 | F175-R180 PolarHBondContact O-NH1 2.92Å; F175-R180 VanDerWaalsContact O-NH1 3.1Å; F175-R180 PolarHBondContact O-NH2 3.22Å; D177-R180 PolarHBondContact O-N 2.99Å; D177-R180 IonicContact OD1-NH1 3.74Å; D177-R180 PolarHBondContact OD1-NH1 3.07Å; H178-R180 PolarHBondContact O-N 3.11Å; R180-N182 PolarHBondContact O-N 3.23Å; R180-L183 HydrophobicContact CG-CD1 4.17Å; R180-L183 PolarHBondContact O-N 3.08Å | ||
| 181 | L | 50.4 | Low | 73 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 76% | 0.759 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15 | -176.4 | -80.4 | 154.9 | 0 | 0 | 0 | 113.4 | ||
| 182 | N | 54.8 | Low | 73.2 | Confident | 147 Ų | 147 | 84.6 Ų | 84.6 | 79% | 0.786 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | 7.5 | -179.3 | -69.2 | -17.1 | 0 | 0 | 0 | 114.7 | R180 | R180-N182 PolarHBondContact O-N 3.23Š|
| 183 | L | 60.5 | Low | 73.8 | Confident | 25 Ų | 25 | 89 Ų | 89 | 13% | 0.131 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -91.6 | -5.6 | -169.1 | -64.5 | 178 | 0 | 0 | 0 | 114.9 | F175 D179 R180 V185 L333 K337 | F175-L183 HydrophobicContact CD1-CD1 3.97Å; F175-L183 HydrophobicContact CE1-CD1 4.15Å; D179-L183 WeakPolarHBondContact O-CD1 3.39Å; D179-L183 WeakPolarHBondContact O-CG 3.47Å; R180-L183 HydrophobicContact CG-CD1 4.17Å; R180-L183 PolarHBondContact O-N 3.08Å; L183-V185 HydrophobicContact CB-CG2 3.68Å; L183-V185 WeakPolarHBondContact O-CG1 3.31Å; L183-V185 PolarHBondContact O-N 2.97Å; L183-L333 HydrophobicContact CD2-CD1 3.96Å; L183-L333 HydrophobicContact CD2-CD2 3.47Å; L183-L333 VanDerWaalsContact CD2-CD2 3.47Å; L183-L333 HydrophobicContact CD2-CG 4.36Å; L183-K337 WeakPolarHBondContact O-CE 3.29Å |
| 184 | E | 73.6 | Confident | 74.4 | Confident | 154 Ų | 154 | 82.6 Ų | 82.6 | 72% | 0.72 | 41% | 0.412 | S | S | * | . | trans | 43 | 27 | -177.8 | -56.2 | 175.3 | 148.7 | 0 | 0 | 114.6 | K337 | E184-K337 HydrophobicContact CB-CD 4.23Å; E184-K337 IonicContact OE2-NZ 3.76Å; E184-K337 PolarHBondContact OE2-NZ 3.3Å | ||
| 185 | V | 81.1 | Confident | 75.4 | Confident | 29 Ų | 29 | 82 Ų | 82 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -114.6 | 153.7 | 175.9 | -68.1 | 0 | 0 | 0 | 0 | 109.2 | L183 G187 L320 L333 K337 F340 | L183-V185 HydrophobicContact CB-CG2 3.68Å; L183-V185 WeakPolarHBondContact O-CG1 3.31Å; L183-V185 PolarHBondContact O-N 2.97Å; V185-G187 PolarHBondContact O-N 3.05Å; V185-L320 HydrophobicContact CG1-CD2 4.19Å; V185-L320 HydrophobicContact CG2-CD2 4.16Å; V185-L333 HydrophobicContact CG1-CD1 4.47Å; V185-K337 HydrophobicContact CG1-CB 4.46Å; V185-K337 HydrophobicContact CG1-CG 3.62Å; V185-F340 HydrophobicContact CB-CD2 4.46Å; V185-F340 HydrophobicContact CG1-CD2 4.3Å |
| 186 | P | 84.6 | Confident | 76.5 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 16% | 0.162 | 42% | 0.424 | C | S | . | . | trans | -61.4 | 137.9 | -178.9 | -14.9 | 25.5 | 0 | 0 | 0 | 111.8 | L191 F340 F344 | P186-L191 HydrophobicContact CB-CD2 3.81Å; P186-L191 HydrophobicContact CB-CG 4.04Å; P186-L191 HydrophobicContact CG-CD2 3.98Å; P186-L191 WeakPolarHBondContact O-CD1 3.32Å; P186-F340 HydrophobicContact CG-CB 4.11Å; P186-F340 HydrophobicContact CG-CD1 4.36Å; P186-F340 HydrophobicContact CG-CG 4.09Å; P186-F344 HydrophobicContact CB-CE2 4.23Å; P186-F344 HydrophobicContact CB-CZ 4.43Å; P186-F344 HydrophobicContact CG-CD2 4.38Å; P186-F344 HydrophobicContact CG-CE2 3.45Å; P186-F344 VanDerWaalsContact CG-CE2 3.45Å; P186-F344 HydrophobicContact CG-CZ 4.11Å | ||
| 187 | G | 83.3 | Confident | 77.8 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | trans | -66.1 | 162.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V185 Q189 S190 L191 | V185-G187 PolarHBondContact O-N 3.05Å; G187-Q189 VanDerWaalsContact C-N 3.28Å; G187-Q189 PolarHBondContact O-N 3.37Å; G187-S190 WeakPolarHBondContact O-CA 3.42Å; G187-S190 WeakPolarHBondContact O-CB 3.27Å; G187-S190 PolarHBondContact O-N 2.74Å; G187-L191 PolarHBondContact O-N 3.14Å | ||
| 188 | P | 83.1 | Confident | 79.6 | Confident | 27 Ų | 27 | 75.8 Ų | 75.8 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.6 | -36.9 | -174.5 | -24.7 | 31.8 | 0 | 0 | 0 | 114.4 | F168 S190 L191 R192 | F168-P188 HydrophobicContact CE2-CB 4.26Å; F168-P188 WeakPolarHBondContact CE2-O 3.38Å; F168-P188 HydrophobicContact CZ-CB 3.99Å; F168-P188 VanDerWaalsContact CZ-O 3.31Å; F168-P188 WeakPolarHBondContact CZ-O 3.28Å; P188-S190 VanDerWaalsContact C-N 3.31Å; P188-S190 PolarHBondContact O-N 3.48Å; P188-L191 PolarHBondContact O-N 3.3Å; P188-R192 VanDerWaalsContact O-CB 3.25Å; P188-R192 WeakPolarHBondContact O-CB 3.25Å; P188-R192 PolarHBondContact O-N 3.19Å |
| 189 | Q | 85.6 | Confident | 81.7 | Confident | 158 Ų | 158 | 71.7 Ų | 71.7 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 178.1 | -64.8 | -177.2 | 4.8 | 0 | 0 | 111.1 | G187 K193 | G187-Q189 VanDerWaalsContact C-N 3.28Å; G187-Q189 PolarHBondContact O-N 3.37Å; Q189-K193 WeakPolarHBondContact O-CG 3.22Å; Q189-K193 PolarHBondContact O-N 3.39Å; Q189-K193 VanDerWaalsContact O-N 3.12Å |
| 190 | S | 89.3 | Confident | 83.6 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.2 | -53.2 | 174.4 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | G187 P188 R192 K193 E194 | G187-S190 WeakPolarHBondContact O-CA 3.42Å; G187-S190 WeakPolarHBondContact O-CB 3.27Å; G187-S190 PolarHBondContact O-N 2.74Å; P188-S190 VanDerWaalsContact C-N 3.31Å; P188-S190 PolarHBondContact O-N 3.48Å; S190-R192 VanDerWaalsContact C-N 3.26Å; S190-R192 PolarHBondContact O-N 3.45Å; S190-K193 WeakPolarHBondContact O-CB 3.44Å; S190-K193 PolarHBondContact O-N 2.59Å; S190-E194 WeakPolarHBondContact O-CG 3.43Å; S190-E194 PolarHBondContact O-N 3.46Å |
| 191 | L | 90.8 | Very high | 85.5 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.5 | -39.5 | 177.2 | -67.3 | 178.5 | 0 | 0 | 0 | 112.5 | F168 P186 G187 P188 E194 L195 F313 L317 L320 F340 | F168-L191 HydrophobicContact CD2-CB 4.23Å; F168-L191 HydrophobicContact CE2-CB 3.81Å; P186-L191 HydrophobicContact CB-CD2 3.81Å; P186-L191 HydrophobicContact CB-CG 4.04Å; P186-L191 HydrophobicContact CG-CD2 3.98Å; P186-L191 WeakPolarHBondContact O-CD1 3.32Å; G187-L191 PolarHBondContact O-N 3.14Å; P188-L191 PolarHBondContact O-N 3.3Å; L191-E194 PolarHBondContact O-N 3.2Å; L191-L195 WeakPolarHBondContact O-CB 3.07Å; L191-L195 PolarHBondContact O-N 2.87Å; L191-F313 HydrophobicContact CB-CZ 4.21Å; L191-F313 HydrophobicContact CD2-CE2 3.63Å; L191-F313 HydrophobicContact CD2-CZ 3.98Å; L191-F313 VanDerWaalsContact O-CZ 3.32Å; L191-F313 WeakPolarHBondContact O-CZ 3.27Å; L191-L317 HydrophobicContact CD1-CD2 4.14Å; L191-L320 HydrophobicContact CD1-CD1 4.38Å; L191-F340 HydrophobicContact CD2-CD1 4.03Å; L191-F340 HydrophobicContact CD2-CE1 3.47Å; L191-F340 VanDerWaalsContact CD2-CE1 3.47Å; L191-F340 HydrophobicContact CD2-CE2 4.46Å; L191-F340 HydrophobicContact CD2-CZ 3.72Å |
| 192 | R | 91.9 | Very high | 87.8 | Confident | 157 Ų | 157 | 67 Ų | 67 | 59% | 0.592 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 176.3 | -175.9 | 174.5 | 179.7 | 141.2 | 0.5 | 112.3 | F168 P188 S190 E194 L195 L196 | F168-R192 HydrophobicContact CE1-CB 4.35Å; F168-R192 HydrophobicContact CE2-CB 4.15Å; F168-R192 HydrophobicContact CZ-CB 3.76Å; F168-R192 HydrophobicContact CZ-CG 4.5Å; P188-R192 VanDerWaalsContact O-CB 3.25Å; P188-R192 WeakPolarHBondContact O-CB 3.25Å; P188-R192 PolarHBondContact O-N 3.19Å; S190-R192 VanDerWaalsContact C-N 3.26Å; S190-R192 PolarHBondContact O-N 3.45Å; R192-E194 VanDerWaalsContact C-N 3.31Å; R192-L195 PolarHBondContact O-N 2.97Å; R192-L196 HydrophobicContact CG-CD1 4.47Å; R192-L196 WeakPolarHBondContact O-CG 3.3Å; R192-L196 PolarHBondContact O-N 2.95Å; R192-L196 VanDerWaalsContact O-N 3.14Å |
| 193 | K | 94.9 | Very high | 89.6 | Confident | 147 Ų | 147 | 62.7 Ų | 62.7 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 176.2 | -73.8 | 175.6 | -179 | -177.4 | 0 | 110.7 | Q189 S190 L196 W197 | Q189-K193 WeakPolarHBondContact O-CG 3.22Å; Q189-K193 PolarHBondContact O-N 3.39Å; Q189-K193 VanDerWaalsContact O-N 3.12Å; S190-K193 WeakPolarHBondContact O-CB 3.44Å; S190-K193 PolarHBondContact O-N 2.59Å; K193-L196 PolarHBondContact O-N 3.47Å; K193-W197 WeakPolarHBondContact O-CB 3.27Å; K193-W197 PolarHBondContact O-N 3.15Å |
| 194 | E | 96.1 | Very high | 91.3 | Very high | 24 Ų | 24 | 67.1 Ų | 67.1 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.7 | -67.7 | -56.2 | 136.4 | 0 | 0 | 112.8 | S190 L191 R192 L196 W197 L198 F313 Y343 F344 K347 | S190-E194 WeakPolarHBondContact O-CG 3.43Å; S190-E194 PolarHBondContact O-N 3.46Å; L191-E194 PolarHBondContact O-N 3.2Å; R192-E194 VanDerWaalsContact C-N 3.31Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 3.39Å; E194-W197 PolarHBondContact O-N 3.48Å; E194-L198 WeakPolarHBondContact O-CB 3.2Å; E194-L198 WeakPolarHBondContact O-CG 3.49Å; E194-L198 PolarHBondContact O-N 3.35Å; E194-F313 HydrophobicContact CB-CD2 4.44Å; E194-F313 HydrophobicContact CB-CE2 3.73Å; E194-F313 HydrophobicContact CB-CZ 4.16Å; E194-Y343 HydrophobicContact CB-CE1 4.33Å; E194-Y343 HydrophobicContact CG-CE1 4.11Å; E194-Y343 VanDerWaalsContact OE2-CE1 3.26Å; E194-Y343 WeakPolarHBondContact OE2-CE1 3.37Å; E194-Y343 VanDerWaalsContact OE2-CZ 3.31Å; E194-Y343 PolarHBondContact OE2-OH 3.13Å; E194-F344 HydrophobicContact CG-CE1 3.84Å; E194-F344 HydrophobicContact CG-CZ 3.75Å; E194-K347 IonicContact OE1-NZ 2.77Å; E194-K347 PolarHBondContact OE1-NZ 2.97Å; E194-K347 IonicContact OE2-NZ 3.51Å; E194-K347 PolarHBondContact OE2-NZ 3.31Å |
| 195 | L | 95.9 | Very high | 92.3 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 174.5 | 177.5 | 57.6 | 0 | 0 | 0 | 111.9 | W161 M164 L191 R192 L198 Q199 F313 | W161-L195 HydrophobicContact CE3-CD1 4.25Å; M164-L195 HydrophobicContact CB-CD1 3.63Å; M164-L195 HydrophobicContact CB-CD2 4.4Å; M164-L195 HydrophobicContact CG-CD1 4.28Å; M164-L195 HydrophobicContact SD-CD1 3.6Å; L191-L195 WeakPolarHBondContact O-CB 3.07Å; L191-L195 PolarHBondContact O-N 2.87Å; R192-L195 PolarHBondContact O-N 2.97Å; L195-L198 PolarHBondContact O-N 3.36Å; L195-Q199 WeakPolarHBondContact O-CB 3.44Å; L195-Q199 PolarHBondContact O-N 3.25Å; L195-F313 HydrophobicContact CB-CE1 3.96Å; L195-F313 HydrophobicContact CB-CZ 4.24Å; L195-F313 HydrophobicContact CD1-CE1 4.26Å |
| 196 | L | 96.6 | Very high | 93 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 177.4 | -69.9 | 172.3 | 0 | 0 | 0 | 111.6 | R192 K193 E194 Q199 Q200 | R192-L196 HydrophobicContact CG-CD1 4.47Å; R192-L196 WeakPolarHBondContact O-CG 3.3Å; R192-L196 PolarHBondContact O-N 2.95Å; R192-L196 VanDerWaalsContact O-N 3.14Å; K193-L196 PolarHBondContact O-N 3.47Å; E194-L196 VanDerWaalsContact C-N 3.35Å; E194-L196 PolarHBondContact O-N 3.39Å; L196-Q199 PolarHBondContact O-N 3.06Å; L196-Q200 WeakPolarHBondContact O-CB 3.47Å; L196-Q200 VanDerWaalsContact O-CG 3.28Å; L196-Q200 WeakPolarHBondContact O-CG 3.32Å; L196-Q200 PolarHBondContact O-N 3.15Å |
| 197 | W | 97.1 | Very high | 93.6 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.3 | 179.3 | 84.6 | 0 | 0 | 0 | 111.7 | K193 E194 Q200 S201 L309 K347 A351 | K193-W197 WeakPolarHBondContact O-CB 3.27Å; K193-W197 PolarHBondContact O-N 3.15Å; E194-W197 PolarHBondContact O-N 3.48Å; W197-Q200 PolarHBondContact O-N 3.2Å; W197-S201 PolarHBondContact NE1-OG 2.86Å; W197-S201 WeakPolarHBondContact O-CB 3.38Å; W197-S201 PolarHBondContact O-N 3.06Å; W197-S201 PolarHBondContact O-OG 3.4Å; W197-L309 HydrophobicContact CH2-CD1 4.4Å; W197-L309 HydrophobicContact CZ3-CD1 4.32Å; W197-K347 HydrophobicContact CE3-CD 4.47Å; W197-K347 HydrophobicContact CH2-CD 4.41Å; W197-K347 HydrophobicContact CH2-CG 4.04Å; W197-K347 HydrophobicContact CZ3-CD 4.23Å; W197-K347 HydrophobicContact CZ3-CG 4.2Å; W197-A351 HydrophobicContact CH2-CB 4.4Å; W197-A351 HydrophobicContact CZ2-CB 4.2Å |
| 198 | L | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.7 | -49.7 | 175.5 | -79.2 | 169 | 0 | 0 | 0 | 111.1 | W161 E194 L195 Q200 S201 L202 L309 A310 F313 Y343 | W161-L198 HydrophobicContact CH2-CB 4.12Å; W161-L198 HydrophobicContact CZ3-CB 3.91Å; E194-L198 WeakPolarHBondContact O-CB 3.2Å; E194-L198 WeakPolarHBondContact O-CG 3.49Å; E194-L198 PolarHBondContact O-N 3.35Å; L195-L198 PolarHBondContact O-N 3.36Å; L198-Q200 VanDerWaalsContact C-N 3.35Å; L198-Q200 PolarHBondContact O-N 3.25Å; L198-S201 PolarHBondContact O-N 3.34Å; L198-L202 HydrophobicContact CB-CD1 4.32Å; L198-L202 HydrophobicContact CD2-CD1 3.61Å; L198-L202 HydrophobicContact CD2-CG 4.35Å; L198-L202 WeakPolarHBondContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 3.2Å; L198-L309 HydrophobicContact CD2-CB 4.23Å; L198-A310 HydrophobicContact CD2-CB 4.35Å; L198-F313 HydrophobicContact CD1-CB 3.72Å; L198-F313 HydrophobicContact CD1-CD1 3.82Å; L198-F313 HydrophobicContact CD1-CD2 4.24Å; L198-F313 HydrophobicContact CD1-CG 3.67Å; L198-Y343 HydrophobicContact CD1-CE2 3.87Å; L198-Y343 HydrophobicContact CD2-CE2 3.99Å; L198-Y343 HydrophobicContact CG-CE2 4.19Å |
| 199 | Q | 96.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -47.3 | -179.9 | -176.3 | 177.6 | 10 | 0 | 0 | 111.6 | W161 L195 L196 S203 | W161-Q199 HydrophobicContact CB-CG 4.5Å; W161-Q199 HydrophobicContact CD2-CB 4Å; W161-Q199 HydrophobicContact CD2-CG 3.96Å; W161-Q199 HydrophobicContact CE3-CB 4.12Å; W161-Q199 HydrophobicContact CG-CB 4.4Å; W161-Q199 HydrophobicContact CG-CG 3.89Å; L195-Q199 WeakPolarHBondContact O-CB 3.44Å; L195-Q199 PolarHBondContact O-N 3.25Å; L196-Q199 PolarHBondContact O-N 3.06Å; Q199-S203 WeakPolarHBondContact O-CB 3.44Å; Q199-S203 PolarHBondContact O-N 2.79Å; Q199-S203 PolarHBondContact O-OG 2.94Å |
| 200 | Q | 96.3 | Very high | 95.3 | Very high | 136 Ų | 136 | 55.6 Ų | 55.6 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.2 | -45.7 | -179.3 | -71.3 | 171.6 | -6.6 | 0 | 0 | 112.1 | L196 W197 L198 | L196-Q200 WeakPolarHBondContact O-CB 3.47Å; L196-Q200 VanDerWaalsContact O-CG 3.28Å; L196-Q200 WeakPolarHBondContact O-CG 3.32Å; L196-Q200 PolarHBondContact O-N 3.15Å; W197-Q200 PolarHBondContact O-N 3.2Å; L198-Q200 VanDerWaalsContact C-N 3.35Å; L198-Q200 PolarHBondContact O-N 3.25Å |
| 201 | S | 96.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 53.5 Ų | 53.5 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.7 | -29.4 | -173.3 | -52.3 | 0 | 0 | 0 | 0 | 113 | W197 L198 V204 | W197-S201 PolarHBondContact NE1-OG 2.86Å; W197-S201 WeakPolarHBondContact O-CB 3.38Å; W197-S201 PolarHBondContact O-N 3.06Å; W197-S201 PolarHBondContact O-OG 3.4Å; L198-S201 PolarHBondContact O-N 3.34Å; S201-V204 WeakPolarHBondContact O-CG2 3.27Å |
| 202 | L | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -93.5 | -30.7 | -175.5 | -59.2 | -178.4 | 0 | 0 | 0 | 112.9 | W161 L198 V204 L205 K306 F307 A310 | W161-L202 HydrophobicContact CH2-CB 4.16Å; W161-L202 HydrophobicContact CH2-CD1 3.77Å; W161-L202 HydrophobicContact CH2-CG 4.45Å; W161-L202 HydrophobicContact CZ2-CB 4.01Å; W161-L202 HydrophobicContact CZ2-CD1 4.43Å; L198-L202 HydrophobicContact CB-CD1 4.32Å; L198-L202 HydrophobicContact CD2-CD1 3.61Å; L198-L202 HydrophobicContact CD2-CG 4.35Å; L198-L202 WeakPolarHBondContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 3.2Å; L202-V204 PolarHBondContact O-N 3.45Å; L202-L205 HydrophobicContact CB-CD1 4.5Å; L202-L205 HydrophobicContact CD2-CD1 3.66Å; L202-L205 WeakPolarHBondContact O-CB 3.49Å; L202-L205 PolarHBondContact O-N 3.25Å; L202-K306 HydrophobicContact CD2-CB 3.55Å; L202-F307 HydrophobicContact CB-CD1 4.46Å; L202-F307 HydrophobicContact CB-CE1 3.89Å; L202-F307 HydrophobicContact CB-CE2 4.19Å; L202-F307 HydrophobicContact CB-CZ 3.74Å; L202-F307 HydrophobicContact CD1-CD1 3.99Å; L202-F307 HydrophobicContact CD1-CE1 4.17Å; L202-F307 HydrophobicContact CD1-CG 4.39Å; L202-A310 HydrophobicContact CD1-CB 3.75Å |
| 203 | S | 94.3 | Very high | 96.1 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.9 | -21.7 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | W161 Q199 | W161-S203 PolarHBondContact NE1-OG 3.29Å; Q199-S203 WeakPolarHBondContact O-CB 3.44Å; Q199-S203 PolarHBondContact O-N 2.79Å; Q199-S203 PolarHBondContact O-OG 2.94Å |
| 204 | V | 94.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 39.2 Ų | 39.2 | 72% | 0.721 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.1 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | S201 L202 G206 | S201-V204 WeakPolarHBondContact O-CG2 3.27Å; L202-V204 PolarHBondContact O-N 3.45Å; V204-G206 PolarHBondContact O-N 3.04Å |
| 205 | L | 95.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.4 | -174.8 | -62.9 | 176 | 0 | 0 | 0 | 113.9 | L202 S207 Q303 K306 F307 L355 | L202-L205 HydrophobicContact CB-CD1 4.5Å; L202-L205 HydrophobicContact CD2-CD1 3.66Å; L202-L205 WeakPolarHBondContact O-CB 3.49Å; L202-L205 PolarHBondContact O-N 3.25Å; L205-S207 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 3.3Å; L205-Q303 HydrophobicContact CB-CG 4.21Å; L205-Q303 PolarHBondContact O-NE2 3.11Å; L205-K306 HydrophobicContact CD1-CB 3.82Å; L205-K306 HydrophobicContact CD1-CD 3.58Å; L205-K306 HydrophobicContact CD1-CG 4.35Å; L205-K306 HydrophobicContact CD2-CD 3.88Å; L205-K306 HydrophobicContact CG-CD 4.37Å; L205-F307 HydrophobicContact CD1-CD2 4.36Å; L205-F307 HydrophobicContact CD1-CE2 4.09Å; L205-L355 HydrophobicContact CD2-CD1 4.5Å |
| 206 | G | 95.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 64% | 0.639 | 22% | 0.22 | S | C | * | . | trans | 67.9 | 21.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V204 | V204-G206 PolarHBondContact O-N 3.04Š| ||
| 207 | S | 97.2 | Very high | 96 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 129.7 | 172.6 | 175 | 0 | 0 | 0 | 0 | 109.3 | L205 A244 | L205-S207 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 3.3Å; S207-A244 WeakPolarHBondContact OG-CB 3.43Å; S207-A244 PolarHBondContact OG-N 3.39Å |
| 208 | P | 95.7 | Very high | 95.7 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 147.5 | 178.8 | 26.4 | -33.3 | 0 | 0 | 0 | 110.8 | V210 Y242 Q243 | P208-V210 HydrophobicContact CB-CG1 4.42Å; P208-Y242 WeakPolarHBondContact O-CA 3.29Å; P208-Q243 HydrophobicContact CG-CB 3.9Å; P208-Q243 PolarHBondContact O-N 2.87Å |
| 209 | V | 95.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 35 Ų | 35 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.4 | 169.9 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | P156 N241 Y242 | P156-V209 HydrophobicContact CB-CG1 3.98Å; P156-V209 HydrophobicContact CG-CB 4.35Å; P156-V209 HydrophobicContact CG-CG1 4.1Å; P156-V209 WeakPolarHBondContact CG-O 3.42Å; V209-N241 CarbonylContact C-O 3.59Å; V209-N241 VanDerWaalsContact CA-O 3.27Å; V209-N241 WeakPolarHBondContact CA-O 3.4Å; V209-Y242 HydrophobicContact CG2-CD1 4.12Å; V209-Y242 HydrophobicContact CG2-CE1 4.09Å |
| 210 | V | 95.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 168.2 | -177.5 | -60.7 | 0 | 0 | 0 | 0 | 109.7 | H146 P208 C212 Y240 N241 Q243 | H146-V210 HydrophobicContact CB-CB 4.19Å; H146-V210 HydrophobicContact CB-CG2 3.85Å; P208-V210 HydrophobicContact CB-CG1 4.42Å; V210-C212 VanDerWaalsContact CG2-SG 3.57Å; V210-C212 PolarHBondContact O-N 3.48Å; V210-Y240 VanDerWaalsContact O-CA 3.31Å; V210-Y240 WeakPolarHBondContact O-CA 3.14Å; V210-N241 PolarHBondContact N-O 2.94Å; V210-N241 PolarHBondContact O-N 3.29Å; V210-N241 VanDerWaalsContact O-O 3.1Å; V210-Q243 HydrophobicContact CG2-CB 3.85Å; V210-Q243 HydrophobicContact CG2-CG 4.46Å |
| 211 | L | 94.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 116.5 | 169.7 | -177.5 | 63.4 | 0 | 0 | 0 | 107.9 | I5 V96 L97 Y145 H146 I148 Y240 | I5-L211 HydrophobicContact CD1-CD1 3.65Å; I5-L211 HydrophobicContact CG1-CD1 4.17Å; V96-L211 HydrophobicContact CG1-CD2 3.95Å; L97-L211 HydrophobicContact CD2-CD2 3.91Å; L97-L211 HydrophobicContact CG-CD2 4.41Å; Y145-L211 VanDerWaalsContact CD1-O 3.23Å; Y145-L211 WeakPolarHBondContact CD1-O 3.22Å; Y145-L211 HydrophobicContact CE1-CD2 4.33Å; Y145-L211 HydrophobicContact CE1-CG 3.88Å; Y145-L211 WeakPolarHBondContact CE1-O 3.16Å; H146-L211 PolarHBondContact CD2-O 2.89Å; I148-L211 HydrophobicContact CB-CD2 4.49Å; I148-L211 HydrophobicContact CG2-CD2 4.26Å; L211-Y240 HydrophobicContact CB-CD1 4.31Å; L211-Y240 HydrophobicContact CB-CE1 4.03Å |
| 212 | C | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 154.6 | -176.4 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | V210 N214 A238 G239 N241 D246 | V210-C212 VanDerWaalsContact CG2-SG 3.57Å; V210-C212 PolarHBondContact O-N 3.48Å; C212-N214 WeakPolarHBondContact CB-OD1 3.47Å; C212-A238 CarbonylContact O-C 3.53Å; C212-A238 VanDerWaalsContact O-CA 3.22Å; C212-A238 WeakPolarHBondContact O-CA 3.3Å; C212-G239 PolarHBondContact N-O 3.27Å; C212-G239 PolarHBondContact O-N 3.25Å; C212-N241 HydrophobicContact CB-CB 3.99Å; C212-N241 PolarHBondContact SG-O 2.55Å; C212-D246 WeakPolarHBondContact CA-OD2 3.28Å; C212-D246 HydrophobicContact CB-CB 3.87Å; C212-D246 WeakPolarHBondContact CB-OD2 3.43Å |
| 213 | H | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -72.1 | -39.7 | 167.9 | -164 | -79.3 | 0 | 0 | 0 | 111.6 | D215 L216 I233 D234 Y235 Y237 A238 D246 | H213-D215 PolarHBondContact CE1-O 2.86Å; H213-D215 VanDerWaalsContact CE1-O 3.31Å; H213-D215 PolarHBondContact ND1-N 3.35Å; H213-D215 PolarHBondContact ND1-O 2.99Å; H213-D215 PolarHBondContact O-N 3.29Å; H213-L216 HydrophobicContact CB-CB 4.43Å; H213-I233 PolarHBondContact CE1-O 3.04Å; H213-I233 PolarHBondContact NE2-O 3.46Å; H213-D234 PolarHBondContact CE1-O 3.29Å; H213-D234 PolarHBondContact NE2-O 2.85Å; H213-Y235 AromaticContact CD2-CD1 3.89Å; H213-Y235 AromaticContact NE2-CD1 3.73Å; H213-Y235 AromaticContact NE2-CE1 3.98Å; H213-Y237 CarbonylContact O-C 3.54Å; H213-A238 WeakPolarHBondContact O-CA 3.45Å; H213-A238 PolarHBondContact O-N 2.94Å; H213-D246 PolarHBondContact N-OD2 3.41Å | ||
| 214 | N | 97.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 64.7 | -15.5 | -176.8 | -58.9 | -53.2 | 0 | 0 | 0 | 116.2 | C212 Y237 G239 N241 Y245 D246 N249 | C212-N214 WeakPolarHBondContact CB-OD1 3.47Å; N214-Y237 WeakPolarHBondContact CB-O 3.41Å; N214-Y237 PolarHBondContact ND2-O 2.93Å; N214-G239 PolarHBondContact ND2-N 3.37Å; N214-G239 PolarHBondContact ND2-O 2.94Å; N214-N241 VanDerWaalsContact OD1-CB 3.25Å; N214-N241 WeakPolarHBondContact OD1-CB 3.44Å; N214-N241 PolarHBondContact OD1-ND2 3.01Å; N214-Y245 HydrophobicContact CB-CE1 4.31Å; N214-D246 VanDerWaalsContact CA-OD1 3.25Å; N214-D246 WeakPolarHBondContact CA-OD1 3.43Å; N214-D246 PolarHBondContact N-OD1 3.36Å; N214-N249 PolarHBondContact O-ND2 2.55Å |
| 215 | D | 95.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | trans | -134.4 | 52.2 | 179.5 | -170.7 | 28.9 | 0 | 0 | 0 | 113.2 | H213 L217 N220 Y237 W315 | H213-D215 PolarHBondContact CE1-O 2.86Å; H213-D215 VanDerWaalsContact CE1-O 3.31Å; H213-D215 PolarHBondContact ND1-N 3.35Å; H213-D215 PolarHBondContact ND1-O 2.99Å; H213-D215 PolarHBondContact O-N 3.29Å; D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.43Å; D215-N220 PolarHBondContact O-ND2 3.19Å; D215-Y237 HydrophobicContact CB-CD2 3.82Å; D215-Y237 HydrophobicContact CB-CG 4.28Å; D215-W315 HydrophobicContact CB-CH2 4.11Å; D215-W315 HydrophobicContact CB-CZ2 3.87Å; D215-W315 VanDerWaalsContact OD1-CZ2 3.27Å; D215-W315 WeakPolarHBondContact OD1-CZ2 3.36Å | ||
| 216 | L | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -84.8 | 60 | -174.4 | -162.6 | 68.3 | 0 | 0 | 0 | 113.5 | I138 L142 H213 I221 F232 H250 | I138-L216 HydrophobicContact CG2-CD2 4.35Å; L142-L216 HydrophobicContact CD1-CD2 4.04Å; L142-L216 HydrophobicContact CD2-CD2 4.1Å; H213-L216 HydrophobicContact CB-CB 4.43Å; L216-I221 HydrophobicContact CD1-CD1 4.4Å; L216-I221 HydrophobicContact CD1-CG1 3.98Å; L216-I221 HydrophobicContact CG-CD1 4.19Å; L216-I221 HydrophobicContact CG-CG1 4.28Å; L216-F232 HydrophobicContact CD1-CB 4.12Å; L216-F232 HydrophobicContact CD1-CD1 3.61Å; L216-F232 HydrophobicContact CD1-CD2 3.88Å; L216-F232 HydrophobicContact CD1-CE1 3.92Å; L216-F232 HydrophobicContact CD1-CE2 4.16Å; L216-F232 HydrophobicContact CD1-CG 3.6Å; L216-F232 HydrophobicContact CD1-CZ 4.18Å; L216-F232 HydrophobicContact CD2-CE1 4.26Å; L216-F232 HydrophobicContact CD2-CE2 4.22Å; L216-F232 HydrophobicContact CD2-CZ 3.97Å; L216-H250 HydrophobicContact CB-CB 4.3Å; L216-H250 HydrophobicContact CD2-CB 4.25Å; L216-H250 PolarHBondContact O-ND1 3.01Å | ||
| 217 | L | 92.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | trans | -75.5 | 162 | 171.4 | 61 | 80.1 | 0 | 0 | 0 | 112.4 | D215 K219 N220 E253 | D215-L217 VanDerWaalsContact C-N 3.26Å; D215-L217 PolarHBondContact O-N 3.43Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 HydrophobicContact CD1-CB 3.57Å; L217-K219 HydrophobicContact CD1-CG 4.33Å; L217-K219 PolarHBondContact O-N 2.97Å; L217-N220 HydrophobicContact CD1-CB 4.13Å; L217-N220 HydrophobicContact CG-CB 4.38Å; L217-N220 WeakPolarHBondContact O-CB 3.45Å; L217-N220 PolarHBondContact O-N 2.82Å; L217-E253 HydrophobicContact CB-CB 4.15Å; L217-E253 HydrophobicContact CB-CG 3.77Å; L217-E253 WeakPolarHBondContact CB-OE2 3.34Å | ||
| 218 | C | 91.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.054 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -53.2 | -45.7 | -172.6 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | L124 I129 N220 I221 | L124-C218 HydrophobicContact CB-CB 4.45Å; L124-C218 WeakPolarHBondContact CB-O 3.12Å; L124-C218 PolarHBondContact N-O 2.85Å; L124-C218 CarbonylContact O-C 3.59Å; L124-C218 VanDerWaalsContact O-CB 3.26Å; L124-C218 WeakPolarHBondContact O-CB 3.48Å; I129-C218 WeakPolarHBondContact CD1-SG 3.46Å; C218-N220 PolarHBondContact O-N 2.77Å; C218-I221 WeakPolarHBondContact O-CB 3.26Å; C218-I221 PolarHBondContact O-N 3.15Å |
| 219 | K | 91.4 | Very high | 94.5 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -65.6 | -19.8 | -179 | -61.5 | -72.6 | -167 | 163.1 | 0 | 113.6 | D53 A123 L124 E125 L217 I221 | D53-K219 HydrophobicContact CB-CD 4.44Å; D53-K219 IonicContact OD1-NZ 2.74Å; D53-K219 PolarHBondContact OD1-NZ 2.74Å; A123-K219 HydrophobicContact CB-CD 4.32Å; L124-K219 PolarHBondContact O-N 2.81Å; E125-K219 WeakPolarHBondContact OE1-CE 3.39Å; E125-K219 IonicContact OE1-NZ 3.62Å; E125-K219 PolarHBondContact OE1-NZ 3.3Å; E125-K219 WeakPolarHBondContact OE2-CE 3.38Å; E125-K219 IonicContact OE2-NZ 3.66Å; E125-K219 PolarHBondContact OE2-NZ 3.31Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 HydrophobicContact CD1-CB 3.57Å; L217-K219 HydrophobicContact CD1-CG 4.33Å; L217-K219 PolarHBondContact O-N 2.97Å; K219-I221 PolarHBondContact O-N 3.45Å |
| 220 | N | 94.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -85 | 5 | 175.8 | -70.6 | -10.2 | 0 | 0 | 0 | 112.3 | D215 L217 C218 F232 I233 | D215-N220 PolarHBondContact O-ND2 3.19Å; L217-N220 HydrophobicContact CD1-CB 4.13Å; L217-N220 HydrophobicContact CG-CB 4.38Å; L217-N220 WeakPolarHBondContact O-CB 3.45Å; L217-N220 PolarHBondContact O-N 2.82Å; C218-N220 PolarHBondContact O-N 2.77Å; N220-F232 CarbonylContact O-C 3.54Å; N220-F232 VanDerWaalsContact O-CA 3.28Å; N220-F232 WeakPolarHBondContact O-CA 3.15Å; N220-I233 WeakPolarHBondContact CB-O 3.44Å; N220-I233 PolarHBondContact O-N 3.02Å |
| 221 | I | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.1 | 176.6 | -51.5 | 173.8 | 0 | 0 | 0 | 108.7 | A123 L124 I138 L216 C218 K219 V230 F232 | A123-I221 WeakPolarHBondContact CA-O 3.49Å; L124-I221 HydrophobicContact CB-CB 4.44Å; L124-I221 HydrophobicContact CD1-CB 3.98Å; L124-I221 HydrophobicContact CD1-CG2 3.58Å; L124-I221 HydrophobicContact CG-CB 4.21Å; L124-I221 HydrophobicContact CG-CG2 4.12Å; L124-I221 PolarHBondContact N-O 2.62Å; I138-I221 HydrophobicContact CD1-CD1 3.84Å; I138-I221 HydrophobicContact CG1-CD1 4.15Å; I138-I221 HydrophobicContact CG1-CG2 4.21Å; I138-I221 HydrophobicContact CG2-CD1 4.11Å; L216-I221 HydrophobicContact CD1-CD1 4.4Å; L216-I221 HydrophobicContact CD1-CG1 3.98Å; L216-I221 HydrophobicContact CG-CD1 4.19Å; L216-I221 HydrophobicContact CG-CG1 4.28Å; C218-I221 WeakPolarHBondContact O-CB 3.26Å; C218-I221 PolarHBondContact O-N 3.15Å; K219-I221 PolarHBondContact O-N 3.45Å; I221-V230 HydrophobicContact CG2-CB 3.96Å; I221-V230 HydrophobicContact CG2-CG1 4.18Å; I221-F232 HydrophobicContact CG1-CD1 4.07Å; I221-F232 HydrophobicContact CG1-CE1 4.24Å; I221-F232 HydrophobicContact CG2-CD1 4.26Å; I221-F232 HydrophobicContact CG2-CE1 4.26Å |
| 222 | I | 95.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.5 | 173.3 | -56 | -53.8 | 0 | 0 | 0 | 108.8 | L119 A123 V230 K231 I233 | L119-I222 HydrophobicContact CB-CG2 4.22Å; A123-I222 HydrophobicContact CB-CD1 3.89Å; I222-V230 CarbonylContact O-C 3.2Å; I222-V230 VanDerWaalsContact O-CA 3.29Å; I222-V230 WeakPolarHBondContact O-CA 3.3Å; I222-K231 PolarHBondContact N-O 3.2Å; I222-K231 PolarHBondContact O-N 2.8Å; I222-I233 HydrophobicContact CD1-CD1 3.77Å; I222-I233 HydrophobicContact CD1-CG1 4.45Å; I222-I233 HydrophobicContact CG1-CD1 3.93Å; I222-I233 HydrophobicContact CG1-CG1 4.2Å; I222-I233 HydrophobicContact CG1-CG2 3.92Å |
| 223 | Y | 95.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.6 | 173.9 | 175.9 | -130.7 | 0 | 0 | 0 | 111.2 | G121 T122 L124 V134 L137 K225 S229 V230 | G121-Y223 VanDerWaalsContact CA-O 3.26Å; G121-Y223 WeakPolarHBondContact CA-O 3.3Å; T122-Y223 PolarHBondContact N-O 3.38Å; T122-Y223 PolarHBondContact O-N 3.08Å; L124-Y223 VanDerWaalsContact CD2-CB 3.42Å; L124-Y223 HydrophobicContact CD2-CD1 4.31Å; L124-Y223 HydrophobicContact CD2-CG 4.18Å; V134-Y223 HydrophobicContact CG2-CE1 4.47Å; L137-Y223 HydrophobicContact CD1-CD2 4.36Å; L137-Y223 HydrophobicContact CD1-CE2 3.82Å; Y223-K225 HydrophobicContact CD1-CB 4.39Å; Y223-K225 HydrophobicContact CE1-CB 3.77Å; Y223-K225 HydrophobicContact CE1-CG 4.14Å; Y223-S229 WeakPolarHBondContact CD2-O 3.22Å; Y223-V230 HydrophobicContact CD2-CG1 3.87Å |
| 224 | N | 94.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 46 Ų | 46 | 10% | 0.096 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 97.1 | 170.7 | -173 | -29.4 | 0 | 0 | 0 | 109.3 | Q120 R226 E227 G228 S229 | Q120-N224 PolarHBondContact O-ND2 2.87Å; N224-R226 VanDerWaalsContact C-N 3.25Å; N224-R226 PolarHBondContact O-N 3.2Å; N224-R226 PolarHBondContact OD1-N 3.31Å; N224-R226 VanDerWaalsContact OD1-N 3.08Å; N224-E227 HydrophobicContact CB-CB 4.26Å; N224-E227 PolarHBondContact ND2-OE1 2.98Å; N224-E227 PolarHBondContact O-N 3.03Å; N224-E227 PolarHBondContact OD1-N 3.44Å; N224-E227 VanDerWaalsContact OD1-N 3.11Å; N224-G228 PolarHBondContact O-N 3.38Å; N224-S229 PolarHBondContact N-O 2.96Å; N224-S229 PolarHBondContact O-N 3.39Å |
| 225 | K | 92.2 | Very high | 94.1 | Very high | 171 Ų | 171 | 45.7 Ų | 45.7 | 74% | 0.743 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -30.9 | 179.8 | -173.9 | 175.9 | -179 | 178.6 | 0 | 113.4 | Y223 | Y223-K225 HydrophobicContact CD1-CB 4.39Å; Y223-K225 HydrophobicContact CE1-CB 3.77Å; Y223-K225 HydrophobicContact CE1-CG 4.14Å |
| 226 | R | 91.8 | Very high | 93.8 | Very high | 246 Ų | 246 | 45.4 Ų | 45.4 | 93% | 0.928 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -38.5 | -178.6 | -60.7 | -174.2 | -166.9 | -146.7 | 3 | 111.4 | N224 | N224-R226 VanDerWaalsContact C-N 3.25Å; N224-R226 PolarHBondContact O-N 3.2Å; N224-R226 PolarHBondContact OD1-N 3.31Å; N224-R226 VanDerWaalsContact OD1-N 3.08Å |
| 227 | E | 91.9 | Very high | 93.7 | Very high | 141 Ų | 141 | 45.7 Ų | 45.7 | 66% | 0.659 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -13.6 | 178.7 | -68.2 | 174.7 | -159.5 | 0 | 0 | 113.1 | N224 S229 | N224-E227 HydrophobicContact CB-CB 4.26Å; N224-E227 PolarHBondContact ND2-OE1 2.98Å; N224-E227 PolarHBondContact O-N 3.03Å; N224-E227 PolarHBondContact OD1-N 3.44Å; N224-E227 VanDerWaalsContact OD1-N 3.11Å; E227-S229 VanDerWaalsContact C-N 3.27Å; E227-S229 PolarHBondContact O-N 3.37Å; E227-S229 PolarHBondContact OE2-OG 3.44Å |
| 228 | G | 93.1 | Very high | 93.8 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 36.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L137 N224 | L137-G228 WeakPolarHBondContact CD1-O 3.19Å; L137-G228 WeakPolarHBondContact CD2-O 3.43Å; N224-G228 PolarHBondContact O-N 3.38Å |
| 229 | S | 94.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154.8 | -172.8 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | Y223 N224 E227 | Y223-S229 WeakPolarHBondContact CD2-O 3.22Å; N224-S229 PolarHBondContact N-O 2.96Å; N224-S229 PolarHBondContact O-N 3.39Å; E227-S229 VanDerWaalsContact C-N 3.27Å; E227-S229 PolarHBondContact O-N 3.37Å; E227-S229 PolarHBondContact OE2-OG 3.44Å |
| 230 | V | 96.2 | Very high | 94 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.5 | 168.5 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | L137 I138 Q141 I221 I222 Y223 F232 | L137-V230 HydrophobicContact CB-CB 4.5Å; L137-V230 HydrophobicContact CB-CG1 3.87Å; L137-V230 HydrophobicContact CB-CG2 3.92Å; L137-V230 HydrophobicContact CD1-CG1 4.34Å; L137-V230 WeakPolarHBondContact O-CG2 3.22Å; I138-V230 HydrophobicContact CG1-CG1 4.42Å; I138-V230 HydrophobicContact CG1-CG2 4.35Å; Q141-V230 HydrophobicContact CB-CG2 3.67Å; Q141-V230 HydrophobicContact CG-CG2 4.08Å; I221-V230 HydrophobicContact CG2-CB 3.96Å; I221-V230 HydrophobicContact CG2-CG1 4.18Å; I222-V230 CarbonylContact O-C 3.2Å; I222-V230 VanDerWaalsContact O-CA 3.29Å; I222-V230 WeakPolarHBondContact O-CA 3.3Å; Y223-V230 HydrophobicContact CD2-CG1 3.87Å; V230-F232 HydrophobicContact CG2-CE1 4.36Å |
| 231 | K | 95.9 | Very high | 94.1 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.6 | 171.8 | -68.3 | -65.5 | -173.8 | -172.1 | 0 | 108.8 | R101 L119 I222 | R101-K231 PolarHBondContact O-NZ 2.64Å; L119-K231 HydrophobicContact CD1-CB 3.56Å; L119-K231 HydrophobicContact CD1-CG 4.15Å; I222-K231 PolarHBondContact N-O 3.2Å; I222-K231 PolarHBondContact O-N 2.8Å |
| 232 | F | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 153.5 | 174.3 | -51.7 | -29.3 | 0 | 0 | 0 | 109.4 | I138 Q141 L142 Y145 L216 N220 I221 V230 Y235 | I138-F232 HydrophobicContact CG2-CE1 4.27Å; I138-F232 HydrophobicContact CG2-CZ 4.29Å; Q141-F232 HydrophobicContact CB-CE1 4.23Å; Q141-F232 HydrophobicContact CB-CE2 4.29Å; Q141-F232 HydrophobicContact CB-CZ 3.77Å; Q141-F232 HydrophobicContact CG-CD1 4.34Å; Q141-F232 HydrophobicContact CG-CD2 4.21Å; Q141-F232 HydrophobicContact CG-CE1 3.89Å; Q141-F232 HydrophobicContact CG-CE2 3.76Å; Q141-F232 HydrophobicContact CG-CG 4.49Å; Q141-F232 HydrophobicContact CG-CZ 3.58Å; L142-F232 HydrophobicContact CB-CE2 3.99Å; L142-F232 HydrophobicContact CB-CZ 4.03Å; L142-F232 HydrophobicContact CD1-CE2 3.78Å; L142-F232 HydrophobicContact CD1-CZ 4.46Å; Y145-F232 AromaticContact CD2-CD2 3.94Å; Y145-F232 HydrophobicContact CD2-CD2 3.94Å; Y145-F232 HydrophobicContact CD2-CE2 4.5Å; Y145-F232 HydrophobicContact CE2-CD2 4.43Å; L216-F232 HydrophobicContact CD1-CB 4.12Å; L216-F232 HydrophobicContact CD1-CD1 3.61Å; L216-F232 HydrophobicContact CD1-CD2 3.88Å; L216-F232 HydrophobicContact CD1-CE1 3.92Å; L216-F232 HydrophobicContact CD1-CE2 4.16Å; L216-F232 HydrophobicContact CD1-CG 3.6Å; L216-F232 HydrophobicContact CD1-CZ 4.18Å; L216-F232 HydrophobicContact CD2-CE1 4.26Å; L216-F232 HydrophobicContact CD2-CE2 4.22Å; L216-F232 HydrophobicContact CD2-CZ 3.97Å; N220-F232 CarbonylContact O-C 3.54Å; N220-F232 VanDerWaalsContact O-CA 3.28Å; N220-F232 WeakPolarHBondContact O-CA 3.15Å; I221-F232 HydrophobicContact CG1-CD1 4.07Å; I221-F232 HydrophobicContact CG1-CE1 4.24Å; I221-F232 HydrophobicContact CG2-CD1 4.26Å; I221-F232 HydrophobicContact CG2-CE1 4.26Å; V230-F232 HydrophobicContact CG2-CE1 4.36Å; F232-Y235 HydrophobicContact CB-CE1 4.33Å; F232-Y235 PolarHBondContact O-OH 3.18Å |
| 233 | I | 94.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | trans | -138 | 169.3 | 175.6 | 58.6 | 166.6 | 0 | 0 | 0 | 109.1 | L119 H213 N220 I222 | L119-I233 HydrophobicContact CD1-CG2 3.68Å; H213-I233 PolarHBondContact CE1-O 3.04Å; H213-I233 PolarHBondContact NE2-O 3.46Å; N220-I233 WeakPolarHBondContact CB-O 3.44Å; N220-I233 PolarHBondContact O-N 3.02Å; I222-I233 HydrophobicContact CD1-CD1 3.77Å; I222-I233 HydrophobicContact CD1-CG1 4.45Å; I222-I233 HydrophobicContact CG1-CD1 3.93Å; I222-I233 HydrophobicContact CG1-CG1 4.2Å; I222-I233 HydrophobicContact CG1-CG2 3.92Å | ||
| 234 | D | 91.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 40 Ų | 40 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | trans | 63.3 | 81.9 | 179.2 | -150.1 | -18.2 | 0 | 0 | 0 | 114.5 | R75 H213 E236 | R75-D234 IonicContact NH1-OD1 3.81Å; R75-D234 PolarHBondContact NH1-OD1 3.35Å; R75-D234 IonicContact NH1-OD2 2.8Å; H213-D234 PolarHBondContact CE1-O 3.29Å; H213-D234 PolarHBondContact NE2-O 2.85Å; D234-E236 VanDerWaalsContact C-N 3.34Å; D234-E236 PolarHBondContact O-N 3.25Å | ||
| 235 | Y | 92.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | trans | -95.6 | 24.6 | -173.7 | -44.6 | -63 | 0 | 0 | 0 | 113.4 | F94 L97 A103 P104 Y145 H213 F232 Y237 A238 | F94-Y235 HydrophobicContact CB-CD2 4.2Å; F94-Y235 AromaticContact CD1-CD2 3.85Å; F94-Y235 HydrophobicContact CD1-CD2 3.85Å; F94-Y235 HydrophobicContact CD1-CE2 4.29Å; F94-Y235 AromaticContact CD2-CD2 3.9Å; F94-Y235 HydrophobicContact CD2-CD2 3.9Å; F94-Y235 AromaticContact CD2-CE2 3.77Å; F94-Y235 HydrophobicContact CD2-CE2 3.77Å; F94-Y235 HydrophobicContact CE1-CD2 4.14Å; F94-Y235 HydrophobicContact CE1-CE2 4.23Å; F94-Y235 HydrophobicContact CE2-CD2 4.18Å; F94-Y235 AromaticContact CE2-CE2 3.69Å; F94-Y235 HydrophobicContact CE2-CE2 3.69Å; F94-Y235 AromaticContact CG-CD2 3.72Å; F94-Y235 HydrophobicContact CG-CD2 3.72Å; F94-Y235 HydrophobicContact CG-CE2 4.08Å; F94-Y235 HydrophobicContact CZ-CD2 4.31Å; F94-Y235 AromaticContact CZ-CE2 3.95Å; F94-Y235 HydrophobicContact CZ-CE2 3.95Å; L97-Y235 HydrophobicContact CD1-CD1 3.64Å; L97-Y235 HydrophobicContact CD1-CD2 4.32Å; L97-Y235 HydrophobicContact CD1-CE1 4Å; L97-Y235 HydrophobicContact CD1-CG 3.81Å; A103-Y235 WeakPolarHBondContact CA-OH 3.49Å; A103-Y235 HydrophobicContact CB-CD2 4.46Å; A103-Y235 HydrophobicContact CB-CE1 4.5Å; A103-Y235 HydrophobicContact CB-CE2 3.48Å; A103-Y235 VanDerWaalsContact CB-CE2 3.48Å; A103-Y235 WeakPolarHBondContact CB-OH 3.22Å; P104-Y235 WeakPolarHBondContact CD-OH 3.47Å; Y145-Y235 HydrophobicContact CE2-CD1 4.49Å; Y145-Y235 HydrophobicContact CE2-CE1 4.41Å; H213-Y235 AromaticContact CD2-CD1 3.89Å; H213-Y235 AromaticContact NE2-CD1 3.73Å; H213-Y235 AromaticContact NE2-CE1 3.98Å; F232-Y235 HydrophobicContact CB-CE1 4.33Å; F232-Y235 PolarHBondContact O-OH 3.18Å; Y235-Y237 VanDerWaalsContact C-N 3.26Å; Y235-Y237 PolarHBondContact O-N 3.46Å; Y235-A238 VanDerWaalsContact O-CB 3.27Å; Y235-A238 WeakPolarHBondContact O-CB 3.34Å; Y235-A238 PolarHBondContact O-N 2.87Å; Y235-A238 VanDerWaalsContact O-N 3.07Å | ||
| 236 | E | 90.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31.7 | -173.2 | 73.1 | 178.8 | -176.1 | 0 | 0 | 112.8 | T56 N57 V85 R87 E90 D234 | T56-E236 PolarHBondContact OG1-OE1 3.35Å; N57-E236 PolarHBondContact ND2-OE2 2.85Å; V85-E236 HydrophobicContact CG1-CB 4.01Å; V85-E236 HydrophobicContact CG2-CB 4.49Å; V85-E236 HydrophobicContact CG2-CG 4.48Å; R87-E236 IonicContact NH1-OE2 3.7Å; E90-E236 VanDerWaalsContact OE1-CA 3.28Å; E90-E236 WeakPolarHBondContact OE1-CA 3.33Å; E90-E236 VanDerWaalsContact OE1-CB 3.22Å; E90-E236 WeakPolarHBondContact OE1-CB 3.3Å; D234-E236 VanDerWaalsContact C-N 3.34Å; D234-E236 PolarHBondContact O-N 3.25Å |
| 237 | Y | 92.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.027 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1.8 | 174.9 | -68.4 | -73.4 | 0 | 0 | 0 | 114 | V85 H213 N214 D215 Y235 G239 W315 W318 | V85-Y237 HydrophobicContact CG2-CE1 4.35Å; H213-Y237 CarbonylContact O-C 3.54Å; N214-Y237 WeakPolarHBondContact CB-O 3.41Å; N214-Y237 PolarHBondContact ND2-O 2.93Å; D215-Y237 HydrophobicContact CB-CD2 3.82Å; D215-Y237 HydrophobicContact CB-CG 4.28Å; Y235-Y237 VanDerWaalsContact C-N 3.26Å; Y235-Y237 PolarHBondContact O-N 3.46Å; Y237-G239 PolarHBondContact O-N 3.44Å; Y237-W315 AromaticContact CD2-CH2 3.76Å; Y237-W315 HydrophobicContact CD2-CH2 3.76Å; Y237-W315 HydrophobicContact CE1-CH2 4.46Å; Y237-W315 AromaticContact CE2-CH2 3.67Å; Y237-W315 HydrophobicContact CE2-CH2 3.67Å; Y237-W315 HydrophobicContact CE2-CZ3 4.12Å; Y237-W315 HydrophobicContact CG-CH2 4.22Å; Y237-W318 AromaticContact CZ-NE1 3.84Å; Y237-W318 PolarHBondContact OH-NE1 2.97Å |
| 238 | A | 94.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -63.4 | 137.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N89 S93 Y145 C212 H213 Y235 | N89-A238 PolarHBondContact ND2-O 3.06Å; S93-A238 PolarHBondContact OG-O 2.84Å; S93-A238 VanDerWaalsContact OG-O 3.1Å; Y145-A238 WeakPolarHBondContact OH-CB 3.48Å; C212-A238 CarbonylContact O-C 3.53Å; C212-A238 VanDerWaalsContact O-CA 3.22Å; C212-A238 WeakPolarHBondContact O-CA 3.3Å; H213-A238 WeakPolarHBondContact O-CA 3.45Å; H213-A238 PolarHBondContact O-N 2.94Å; Y235-A238 VanDerWaalsContact O-CB 3.27Å; Y235-A238 WeakPolarHBondContact O-CB 3.34Å; Y235-A238 PolarHBondContact O-N 2.87Å; Y235-A238 VanDerWaalsContact O-N 3.07Å | ||
| 239 | G | 93 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 168.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C212 N214 Y237 N241 | C212-G239 PolarHBondContact N-O 3.27Å; C212-G239 PolarHBondContact O-N 3.25Å; N214-G239 PolarHBondContact ND2-N 3.37Å; N214-G239 PolarHBondContact ND2-O 2.94Å; Y237-G239 PolarHBondContact O-N 3.44Å; G239-N241 PolarHBondContact O-N 2.95Å |
| 240 | Y | 94.2 | Very high | 96 | Very high | 13 Ų | 13 | 9.5 Ų | 9.5 | 5% | 0.051 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 123 | 174.5 | -73.3 | -63.2 | 0 | 0 | 0 | 110.5 | I5 A150 P156 R157 S158 D159 V210 L211 | I5-Y240 HydrophobicContact CG1-CD2 4.22Å; I5-Y240 HydrophobicContact CG1-CE2 3.97Å; A150-Y240 VanDerWaalsContact CA-OH 3.22Å; A150-Y240 WeakPolarHBondContact CA-OH 3.41Å; A150-Y240 HydrophobicContact CB-CE1 4.33Å; A150-Y240 VanDerWaalsContact CB-OH 3.23Å; A150-Y240 WeakPolarHBondContact CB-OH 3.49Å; P156-Y240 HydrophobicContact CB-CD1 3.31Å; P156-Y240 HydrophobicContact CB-CD2 3.91Å; P156-Y240 HydrophobicContact CB-CE1 3.63Å; P156-Y240 HydrophobicContact CB-CE2 4.16Å; P156-Y240 HydrophobicContact CB-CG 3.49Å; P156-Y240 VanDerWaalsContact CB-CG 3.49Å; P156-Y240 HydrophobicContact CG-CD1 4.06Å; P156-Y240 HydrophobicContact CG-CE1 4.19Å; R157-Y240 WeakPolarHBondContact O-CB 3.26Å; S158-Y240 WeakPolarHBondContact CA-O 3.38Å; D159-Y240 PolarHBondContact N-O 2.83Å; V210-Y240 VanDerWaalsContact O-CA 3.31Å; V210-Y240 WeakPolarHBondContact O-CA 3.14Å; L211-Y240 HydrophobicContact CB-CD1 4.31Å; L211-Y240 HydrophobicContact CB-CE1 4.03Å |
| 241 | N | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.016 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 176.9 | 178.2 | -158.9 | 2 | 0 | 0 | 0 | 110.8 | S158 L160 V209 V210 C212 N214 G239 Q243 Y245 | S158-N241 PolarHBondContact OG-OD1 2.9Å; L160-N241 WeakPolarHBondContact CB-OD1 2.86Å; V209-N241 CarbonylContact C-O 3.59Å; V209-N241 VanDerWaalsContact CA-O 3.27Å; V209-N241 WeakPolarHBondContact CA-O 3.4Å; V210-N241 PolarHBondContact N-O 2.94Å; V210-N241 PolarHBondContact O-N 3.29Å; V210-N241 VanDerWaalsContact O-O 3.1Å; C212-N241 HydrophobicContact CB-CB 3.99Å; C212-N241 PolarHBondContact SG-O 2.55Å; N214-N241 VanDerWaalsContact OD1-CB 3.25Å; N214-N241 WeakPolarHBondContact OD1-CB 3.44Å; N214-N241 PolarHBondContact OD1-ND2 3.01Å; G239-N241 PolarHBondContact O-N 2.95Å; N241-Q243 PolarHBondContact O-N 2.66Å; N241-Y245 WeakPolarHBondContact ND2-CD1 3.47Å |
| 242 | Y | 98 | Very high | 96.1 | Very high | 30 Ų | 30 | 6.6 Ų | 6.6 | 12% | 0.118 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.1 | 175.6 | -57.8 | -81.1 | 0 | 0 | 0 | 110.2 | S158 L160 W161 P208 V209 A244 Y245 D246 F307 | S158-Y242 VanDerWaalsContact CB-CE2 3.48Å; S158-Y242 VanDerWaalsContact OG-CE2 3.3Å; S158-Y242 WeakPolarHBondContact OG-CE2 3.47Å; L160-Y242 HydrophobicContact CD2-CD2 4.13Å; L160-Y242 HydrophobicContact CD2-CE2 4.37Å; W161-Y242 HydrophobicContact CZ2-CE2 4.16Å; W161-Y242 AromaticContact NE1-CE2 3.74Å; W161-Y242 AromaticContact NE1-CZ 3.86Å; W161-Y242 PolarHBondContact NE1-OH 3.42Å; P208-Y242 WeakPolarHBondContact O-CA 3.29Å; V209-Y242 HydrophobicContact CG2-CD1 4.12Å; V209-Y242 HydrophobicContact CG2-CE1 4.09Å; Y242-A244 PolarHBondContact O-N 3.36Å; Y242-Y245 WeakPolarHBondContact O-CB 3.46Å; Y242-Y245 PolarHBondContact O-N 3.34Å; Y242-D246 PolarHBondContact O-N 3.08Å; Y242-F307 HydrophobicContact CD1-CE1 4.19Å; Y242-F307 AromaticContact CD1-CZ 3.76Å; Y242-F307 HydrophobicContact CD1-CZ 3.76Å; Y242-F307 HydrophobicContact CD2-CD1 4.3Å; Y242-F307 AromaticContact CD2-CE1 3.36Å; Y242-F307 HydrophobicContact CD2-CE1 3.36Å; Y242-F307 AromaticContact CD2-CZ 3.81Å; Y242-F307 HydrophobicContact CD2-CZ 3.81Å; Y242-F307 HydrophobicContact CE1-CZ 4.28Å; Y242-F307 AromaticContact CE2-CE1 3.99Å; Y242-F307 HydrophobicContact CE2-CE1 3.99Å; Y242-F307 HydrophobicContact CE2-CZ 4.34Å; Y242-F307 HydrophobicContact CG-CD1 4.41Å; Y242-F307 AromaticContact CG-CE1 3.47Å; Y242-F307 HydrophobicContact CG-CE1 3.47Å; Y242-F307 VanDerWaalsContact CG-CE1 3.47Å; Y242-F307 HydrophobicContact CG-CE2 4.45Å; Y242-F307 AromaticContact CG-CZ 3.49Å; Y242-F307 HydrophobicContact CG-CZ 3.49Å; Y242-F307 VanDerWaalsContact CG-CZ 3.49Å |
| 243 | Q | 98.1 | Very high | 96 | Very high | 9 Ų | 9 | 6.9 Ų | 6.9 | 4% | 0.042 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -50.1 | -44.2 | 174.2 | 177.2 | -178.8 | 78 | 0 | 0 | 111.9 | P208 V210 N241 Y245 D246 I247 Y278 | P208-Q243 HydrophobicContact CG-CB 3.9Å; P208-Q243 PolarHBondContact O-N 2.87Å; V210-Q243 HydrophobicContact CG2-CB 3.85Å; V210-Q243 HydrophobicContact CG2-CG 4.46Å; N241-Q243 PolarHBondContact O-N 2.66Å; Q243-Y245 VanDerWaalsContact C-N 3.28Å; Q243-Y245 PolarHBondContact O-N 3.34Å; Q243-D246 PolarHBondContact O-N 3.01Å; Q243-I247 HydrophobicContact CG-CD1 4.1Å; Q243-I247 WeakPolarHBondContact O-CG1 3.29Å; Q243-I247 PolarHBondContact O-N 2.97Å; Q243-Y278 VanDerWaalsContact CD-OH 3.23Å; Q243-Y278 HydrophobicContact CG-CE1 4.32Å; Q243-Y278 WeakPolarHBondContact CG-OH 3.4Å; Q243-Y278 PolarHBondContact NE2-OH 3.24Å |
| 244 | A | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -65.8 | -28.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S207 Y242 G248 Q303 V304 F307 | S207-A244 WeakPolarHBondContact OG-CB 3.43Å; S207-A244 PolarHBondContact OG-N 3.39Å; Y242-A244 PolarHBondContact O-N 3.36Å; A244-G248 PolarHBondContact O-N 3.15Å; A244-Q303 HydrophobicContact CB-CB 3.71Å; A244-V304 HydrophobicContact CB-CG2 4.09Å; A244-F307 HydrophobicContact CB-CB 4.14Å; A244-F307 HydrophobicContact CB-CD2 3.49Å; A244-F307 VanDerWaalsContact CB-CD2 3.49Å; A244-F307 HydrophobicContact CB-CE2 4.16Å; A244-F307 HydrophobicContact CB-CG 4.02Å |
| 245 | Y | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 0% | 0.004 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -66.4 | -46.1 | 174.9 | 178.2 | -85.4 | 0 | 0 | 0 | 111.7 | L160 N214 N241 Y242 Q243 I247 G248 N249 F307 A310 F314 | L160-Y245 HydrophobicContact CD1-CD2 4.1Å; L160-Y245 HydrophobicContact CD1-CE1 4.5Å; L160-Y245 HydrophobicContact CD1-CE2 3.62Å; L160-Y245 HydrophobicContact CD2-CD2 3.66Å; L160-Y245 HydrophobicContact CD2-CE2 3.99Å; L160-Y245 HydrophobicContact CD2-CG 4.27Å; L160-Y245 HydrophobicContact CG-CE2 4.47Å; N214-Y245 HydrophobicContact CB-CE1 4.31Å; N241-Y245 WeakPolarHBondContact ND2-CD1 3.47Å; Y242-Y245 WeakPolarHBondContact O-CB 3.46Å; Y242-Y245 PolarHBondContact O-N 3.34Å; Q243-Y245 VanDerWaalsContact C-N 3.28Å; Q243-Y245 PolarHBondContact O-N 3.34Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 2.99Å; Y245-G248 PolarHBondContact O-N 3.05Å; Y245-N249 HydrophobicContact CE1-CB 4.41Å; Y245-N249 VanDerWaalsContact O-CB 3.22Å; Y245-N249 WeakPolarHBondContact O-CB 3.48Å; Y245-N249 PolarHBondContact O-N 3.01Å; Y245-F307 HydrophobicContact CD2-CD1 4.44Å; Y245-A310 HydrophobicContact CD2-CB 4.07Å; Y245-A310 HydrophobicContact CE2-CB 4.18Å; Y245-F314 WeakPolarHBondContact OH-CB 3.46Å; Y245-F314 WeakPolarHBondContact OH-CD1 3.41Å; Y245-F314 VanDerWaalsContact OH-CG 3.32Å; Y245-F314 WeakPolarHBondContact OH-CG 3.39Å |
| 246 | D | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | -175.6 | -153 | 17 | 0 | 0 | 0 | 111.6 | H146 C212 H213 N214 Y242 Q243 H250 | H146-D246 IonicContact CE1-OD2 2.8Å; H146-D246 IonicContact NE2-OD2 2.9Å; H146-D246 PolarHBondContact NE2-OD2 2.85Å; C212-D246 WeakPolarHBondContact CA-OD2 3.28Å; C212-D246 HydrophobicContact CB-CB 3.87Å; C212-D246 WeakPolarHBondContact CB-OD2 3.43Å; H213-D246 PolarHBondContact N-OD2 3.41Å; N214-D246 VanDerWaalsContact CA-OD1 3.25Å; N214-D246 WeakPolarHBondContact CA-OD1 3.43Å; N214-D246 PolarHBondContact N-OD1 3.36Å; Y242-D246 PolarHBondContact O-N 3.08Å; Q243-D246 PolarHBondContact O-N 3.01Å; D246-H250 PolarHBondContact O-N 3.46Å |
| 247 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -67.3 | -46.7 | 174.5 | -58.5 | 166.9 | 0 | 0 | 0 | 110.9 | L142 Q243 Y245 N249 H250 F251 W274 L275 Y278 L300 V304 | L142-I247 HydrophobicContact CD2-CG1 3.97Å; Q243-I247 HydrophobicContact CG-CD1 4.1Å; Q243-I247 WeakPolarHBondContact O-CG1 3.29Å; Q243-I247 PolarHBondContact O-N 2.97Å; Y245-I247 VanDerWaalsContact C-N 3.34Å; Y245-I247 PolarHBondContact O-N 2.99Å; I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 3.21Å; I247-H250 WeakPolarHBondContact O-CB 2.93Å; I247-H250 PolarHBondContact O-N 3.47Å; I247-F251 HydrophobicContact CG2-CD2 4.41Å; I247-F251 HydrophobicContact CG2-CE1 4.26Å; I247-F251 HydrophobicContact CG2-CE2 3.95Å; I247-F251 HydrophobicContact CG2-CZ 3.86Å; I247-F251 PolarHBondContact O-N 3.36Å; I247-W274 HydrophobicContact CB-CZ3 4.34Å; I247-W274 HydrophobicContact CD1-CZ3 4.15Å; I247-W274 HydrophobicContact CG1-CH2 4.1Å; I247-W274 HydrophobicContact CG1-CZ3 4Å; I247-W274 HydrophobicContact CG2-CE3 4.07Å; I247-W274 HydrophobicContact CG2-CH2 3.91Å; I247-W274 HydrophobicContact CG2-CZ3 3.44Å; I247-W274 VanDerWaalsContact CG2-CZ3 3.44Å; I247-L275 HydrophobicContact CD1-CD2 4.46Å; I247-L275 HydrophobicContact CG2-CD2 3.81Å; I247-Y278 HydrophobicContact CD1-CD1 4.1Å; I247-Y278 HydrophobicContact CD1-CD2 4.37Å; I247-Y278 HydrophobicContact CD1-CE1 3.94Å; I247-Y278 HydrophobicContact CD1-CE2 4.18Å; I247-Y278 HydrophobicContact CD1-CG 4.35Å; I247-L300 HydrophobicContact CD1-CD1 4.37Å; I247-L300 HydrophobicContact CD1-CD2 4.26Å; I247-V304 HydrophobicContact CB-CG1 4.32Å; I247-V304 HydrophobicContact CB-CG2 3.88Å; I247-V304 HydrophobicContact CD1-CG2 4.21Å; I247-V304 HydrophobicContact CG2-CG1 3.81Å; I247-V304 HydrophobicContact CG2-CG2 3.82Å |
| 248 | G | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.3 | -36.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A244 Y245 F251 N252 | A244-G248 PolarHBondContact O-N 3.15Å; Y245-G248 PolarHBondContact O-N 3.05Å; G248-F251 PolarHBondContact O-N 3.34Å; G248-N252 PolarHBondContact O-N 3.45Å; G248-N252 VanDerWaalsContact O-N 3.11Å |
| 249 | N | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.9 | -52 | 170.9 | -172.3 | 76 | 0 | 0 | 0 | 110.7 | N214 Y245 I247 F251 N252 E253 S311 W315 | N214-N249 PolarHBondContact O-ND2 2.55Å; Y245-N249 HydrophobicContact CE1-CB 4.41Å; Y245-N249 VanDerWaalsContact O-CB 3.22Å; Y245-N249 WeakPolarHBondContact O-CB 3.48Å; Y245-N249 PolarHBondContact O-N 3.01Å; I247-N249 VanDerWaalsContact C-N 3.28Å; I247-N249 PolarHBondContact O-N 3.21Å; N249-F251 VanDerWaalsContact C-N 3.25Å; N249-F251 PolarHBondContact O-N 3.29Å; N249-N252 WeakPolarHBondContact O-CB 3.47Å; N249-N252 PolarHBondContact O-N 2.8Å; N249-E253 WeakPolarHBondContact O-CG 3.39Å; N249-E253 PolarHBondContact O-N 3.03Å; N249-S311 WeakPolarHBondContact OD1-CB 3.44Å; N249-S311 PolarHBondContact OD1-OG 2.91Å; N249-W315 PolarHBondContact OD1-NE1 3.48Å |
| 250 | H | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55 | -40.1 | 177.8 | -180 | 55.7 | 0 | 0 | 0 | 112.7 | L216 D246 I247 E253 F254 W274 | L216-H250 HydrophobicContact CB-CB 4.3Å; L216-H250 HydrophobicContact CD2-CB 4.25Å; L216-H250 PolarHBondContact O-ND1 3.01Å; D246-H250 PolarHBondContact O-N 3.46Å; I247-H250 WeakPolarHBondContact O-CB 2.93Å; I247-H250 PolarHBondContact O-N 3.47Å; H250-E253 WeakPolarHBondContact O-CB 3.38Å; H250-E253 PolarHBondContact O-N 3.01Å; H250-F254 AromaticContact NE2-CE2 3.79Å; H250-F254 WeakPolarHBondContact O-CD2 3.2Å; H250-W274 AromaticContact CD2-CZ2 3.97Å |
| 251 | F | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | 175.4 | -69.2 | -12.1 | 0 | 0 | 0 | 113.3 | I247 G248 N249 E253 F254 Y265 P266 Q271 W274 L275 V304 | I247-F251 HydrophobicContact CG2-CD2 4.41Å; I247-F251 HydrophobicContact CG2-CE1 4.26Å; I247-F251 HydrophobicContact CG2-CE2 3.95Å; I247-F251 HydrophobicContact CG2-CZ 3.86Å; I247-F251 PolarHBondContact O-N 3.36Å; G248-F251 PolarHBondContact O-N 3.34Å; N249-F251 VanDerWaalsContact C-N 3.25Å; N249-F251 PolarHBondContact O-N 3.29Å; F251-E253 PolarHBondContact O-N 3.43Å; F251-F254 HydrophobicContact CD1-CE2 4.04Å; F251-F254 WeakPolarHBondContact O-CB 3.32Å; F251-F254 WeakPolarHBondContact O-CD2 3.42Å; F251-F254 PolarHBondContact O-N 3.03Å; F251-Y265 HydrophobicContact CB-CD2 4.39Å; F251-Y265 HydrophobicContact CB-CE2 3.65Å; F251-Y265 WeakPolarHBondContact O-CD2 3.41Å; F251-P266 HydrophobicContact CB-CG 3.81Å; F251-P266 HydrophobicContact CD1-CG 3.89Å; F251-P266 HydrophobicContact CD2-CG 4.13Å; F251-P266 HydrophobicContact CE1-CG 4.49Å; F251-P266 HydrophobicContact CG-CG 3.69Å; F251-Q271 HydrophobicContact CD2-CG 4.04Å; F251-Q271 HydrophobicContact CE2-CB 4.07Å; F251-Q271 HydrophobicContact CE2-CG 3.69Å; F251-Q271 HydrophobicContact CZ-CB 4.46Å; F251-Q271 HydrophobicContact CZ-CG 4.27Å; F251-W274 HydrophobicContact CE1-CB 4.41Å; F251-W274 AromaticContact CE1-CD2 3.66Å; F251-W274 HydrophobicContact CE1-CD2 3.66Å; F251-W274 AromaticContact CE1-CE2 3.95Å; F251-W274 AromaticContact CE1-CE3 3.97Å; F251-W274 HydrophobicContact CE1-CE3 3.97Å; F251-W274 AromaticContact CE1-CG 3.84Å; F251-W274 HydrophobicContact CE1-CG 3.84Å; F251-W274 HydrophobicContact CZ-CB 4.17Å; F251-W274 AromaticContact CZ-CD2 3.77Å; F251-W274 HydrophobicContact CZ-CD2 3.77Å; F251-W274 AromaticContact CZ-CE3 3.69Å; F251-W274 HydrophobicContact CZ-CE3 3.69Å; F251-W274 AromaticContact CZ-CG 3.97Å; F251-W274 HydrophobicContact CZ-CG 3.97Å; F251-W274 HydrophobicContact CZ-CZ3 4.4Å; F251-L275 HydrophobicContact CE2-CD2 4.31Å; F251-L275 HydrophobicContact CZ-CD2 4.26Å; F251-L275 HydrophobicContact CZ-CG 4.47Å; F251-V304 HydrophobicContact CD2-CG1 3.7Å; F251-V304 HydrophobicContact CE2-CG1 3.72Å |
| 252 | N | 97.1 | Very high | 94 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -31.6 | 173.2 | -73.7 | -23.5 | 0 | 0 | 0 | 112.3 | G248 N249 F254 A255 Y265 A308 S311 H312 | G248-N252 PolarHBondContact O-N 3.45Å; G248-N252 VanDerWaalsContact O-N 3.11Å; N249-N252 WeakPolarHBondContact O-CB 3.47Å; N249-N252 PolarHBondContact O-N 2.8Å; N252-F254 PolarHBondContact O-N 2.85Å; N252-A255 WeakPolarHBondContact O-CB 3.41Å; N252-A255 PolarHBondContact O-N 2.9Å; N252-Y265 VanDerWaalsContact OD1-CE2 3.32Å; N252-Y265 WeakPolarHBondContact OD1-CE2 3.35Å; N252-A308 PolarHBondContact ND2-O 3.43Å; N252-S311 WeakPolarHBondContact ND2-CB 3.44Å; N252-S311 PolarHBondContact ND2-OG 3.36Å; N252-H312 VanDerWaalsContact CG-CE1 3.48Å; N252-H312 PolarHBondContact OD1-CE1 3.04Å; N252-H312 PolarHBondContact OD1-NE2 3.32Å |
| 253 | E | 94.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -72.5 | -6.9 | -179.4 | -57.7 | -54.6 | 131.8 | 0 | 0 | 113.5 | L217 N249 H250 F251 A255 G256 R339 | L217-E253 HydrophobicContact CB-CB 4.15Å; L217-E253 HydrophobicContact CB-CG 3.77Å; L217-E253 WeakPolarHBondContact CB-OE2 3.34Å; N249-E253 WeakPolarHBondContact O-CG 3.39Å; N249-E253 PolarHBondContact O-N 3.03Å; H250-E253 WeakPolarHBondContact O-CB 3.38Å; H250-E253 PolarHBondContact O-N 3.01Å; F251-E253 PolarHBondContact O-N 3.43Å; E253-A255 PolarHBondContact O-N 3.37Å; E253-G256 PolarHBondContact O-N 3.12Å; E253-G256 VanDerWaalsContact O-N 3.14Å; E253-R339 IonicContact OE1-NH1 3.36Å; E253-R339 PolarHBondContact OE1-NH1 2.77Å |
| 254 | F | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -64.6 | -22.9 | 169.5 | -78.8 | -125.1 | 0 | 0 | 0 | 112.6 | I129 R130 H250 F251 N252 G256 H264 P266 F270 | I129-F254 HydrophobicContact CB-CZ 4.38Å; I129-F254 HydrophobicContact CD1-CB 4.37Å; I129-F254 HydrophobicContact CD1-CD1 4.03Å; I129-F254 HydrophobicContact CD1-CD2 3.37Å; I129-F254 HydrophobicContact CD1-CE1 4.11Å; I129-F254 HydrophobicContact CD1-CE2 3.48Å; I129-F254 VanDerWaalsContact CD1-CE2 3.48Å; I129-F254 HydrophobicContact CD1-CG 3.66Å; I129-F254 HydrophobicContact CD1-CZ 3.84Å; I129-F254 HydrophobicContact CG1-CD1 4.33Å; I129-F254 HydrophobicContact CG1-CD2 4.41Å; I129-F254 HydrophobicContact CG1-CE1 4.17Å; I129-F254 HydrophobicContact CG1-CE2 4.26Å; I129-F254 HydrophobicContact CG1-CG 4.43Å; I129-F254 HydrophobicContact CG1-CZ 4.11Å; R130-F254 HydrophobicContact CG-CD1 3.95Å; R130-F254 HydrophobicContact CG-CE1 3.95Å; R130-F254 PolarHBondContact NH2-O 2.94Å; H250-F254 AromaticContact NE2-CE2 3.79Å; H250-F254 WeakPolarHBondContact O-CD2 3.2Å; F251-F254 HydrophobicContact CD1-CE2 4.04Å; F251-F254 WeakPolarHBondContact O-CB 3.32Å; F251-F254 WeakPolarHBondContact O-CD2 3.42Å; F251-F254 PolarHBondContact O-N 3.03Å; N252-F254 PolarHBondContact O-N 2.85Å; F254-G256 PolarHBondContact O-N 2.8Å; F254-H264 WeakPolarHBondContact CB-O 3.43Å; F254-H264 VanDerWaalsContact O-CB 3.24Å; F254-H264 WeakPolarHBondContact O-CB 3.39Å; F254-P266 HydrophobicContact CD1-CB 4.37Å; F254-P266 HydrophobicContact CD1-CG 4.34Å; F254-P266 HydrophobicContact CE1-CB 4.32Å; F254-P266 HydrophobicContact CE1-CG 4.46Å; F254-P266 HydrophobicContact CG-CG 4.43Å; F254-F270 AromaticContact CE1-CE1 3.86Å; F254-F270 HydrophobicContact CE1-CE1 3.86Å; F254-F270 AromaticContact CE1-CZ 3.93Å; F254-F270 HydrophobicContact CE1-CZ 3.93Å; F254-F270 AromaticContact CZ-CE1 3.86Å; F254-F270 HydrophobicContact CZ-CE1 3.86Å; F254-F270 HydrophobicContact CZ-CZ 4.08Å |
| 255 | A | 93.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -72.1 | -16.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N252 E253 E259 V260 D261 Y262 | N252-A255 WeakPolarHBondContact O-CB 3.41Å; N252-A255 PolarHBondContact O-N 2.9Å; E253-A255 PolarHBondContact O-N 3.37Å; A255-E259 VanDerWaalsContact O-O 3.13Å; A255-V260 HydrophobicContact CB-CG1 4.16Å; A255-V260 CarbonylContact O-C 3.54Å; A255-V260 WeakPolarHBondContact O-CA 3.39Å; A255-D261 VanDerWaalsContact CA-O 3.31Å; A255-D261 WeakPolarHBondContact CA-O 3.47Å; A255-D261 WeakPolarHBondContact CB-O 3.34Å; A255-D261 PolarHBondContact O-N 3.1Å; A255-Y262 HydrophobicContact CB-CD1 3.58Å; A255-Y262 HydrophobicContact CB-CE1 3.9Å; A255-Y262 HydrophobicContact CB-CG 4.38Å |
| 256 | G | 88.8 | Confident | 93.3 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | trans | 78.5 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E253 F254 | E253-G256 PolarHBondContact O-N 3.12Å; E253-G256 VanDerWaalsContact O-N 3.14Å; F254-G256 PolarHBondContact O-N 2.8Å | ||
| 257 | L | 82.3 | Confident | 93.2 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -111.6 | -49.3 | -176.4 | -179.1 | 66.2 | 0 | 0 | 0 | 112.8 | I55 V260 F330 Y335 | I55-L257 HydrophobicContact CD1-CD2 4.27Å; I55-L257 HydrophobicContact CG2-CD2 4.38Å; L257-V260 WeakPolarHBondContact O-CG2 3.47Å; L257-F330 HydrophobicContact CD1-CE2 4.41Å; L257-F330 HydrophobicContact CD1-CZ 4.08Å; L257-F330 HydrophobicContact CG-CE2 4.31Å; L257-F330 HydrophobicContact CG-CZ 4.47Å; L257-Y335 HydrophobicContact CD1-CD2 4.32Å; L257-Y335 HydrophobicContact CD1-CE1 4.24Å; L257-Y335 HydrophobicContact CD1-CE2 3.67Å |
| 258 | N | 78.4 | Confident | 93.1 | Very high | 142 Ų | 142 | 43.6 Ų | 43.6 | 76% | 0.759 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -76.3 | -43.4 | -177.8 | -65.5 | -18 | 0 | 0 | 0 | 111.7 | ||
| 259 | E | 84.6 | Confident | 93.1 | Very high | 178 Ų | 178 | 47 Ų | 47 | 83% | 0.832 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -119.6 | 89.5 | 174.8 | -66.6 | -177.9 | -177.2 | 0 | 0 | 107.7 | A255 D261 | A255-E259 VanDerWaalsContact O-O 3.13Å; E259-D261 PolarHBondContact O-N 2.82Å |
| 260 | V | 90.9 | Very high | 93 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | trans | -75 | 114.2 | -177.2 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | A255 L257 Y262 Y335 L338 | A255-V260 HydrophobicContact CB-CG1 4.16Å; A255-V260 CarbonylContact O-C 3.54Å; A255-V260 WeakPolarHBondContact O-CA 3.39Å; L257-V260 WeakPolarHBondContact O-CG2 3.47Å; V260-Y262 HydrophobicContact CG1-CD1 4.39Å; V260-Y262 HydrophobicContact CG1-CD2 4.11Å; V260-Y262 HydrophobicContact CG1-CE1 3.96Å; V260-Y262 HydrophobicContact CG1-CE2 3.68Å; V260-Y262 HydrophobicContact CG1-CG 4.45Å; V260-Y335 HydrophobicContact CG2-CD2 4.43Å; V260-Y335 HydrophobicContact CG2-CE2 4.28Å; V260-L338 HydrophobicContact CB-CD1 4.22Å; V260-L338 HydrophobicContact CG2-CD1 4.11Å | ||
| 261 | D | 92.6 | Very high | 93 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | trans | -126.3 | 100.9 | 171.8 | -178.9 | 3.7 | 0 | 0 | 0 | 111.1 | A255 E259 S263 H264 | A255-D261 VanDerWaalsContact CA-O 3.31Å; A255-D261 WeakPolarHBondContact CA-O 3.47Å; A255-D261 WeakPolarHBondContact CB-O 3.34Å; A255-D261 PolarHBondContact O-N 3.1Å; E259-D261 PolarHBondContact O-N 2.82Å; D261-S263 PolarHBondContact O-N 3.04Å; D261-S263 WeakPolarHBondContact OD1-CB 3.39Å; D261-S263 PolarHBondContact OD1-N 2.9Å; D261-S263 PolarHBondContact OD1-OG 2.83Å; D261-S263 PolarHBondContact OD2-OG 3.44Å; D261-H264 VanDerWaalsContact O-CB 3.23Å; D261-H264 WeakPolarHBondContact O-CB 3.12Å; D261-H264 PolarHBondContact O-N 2.85Å; D261-H264 VanDerWaalsContact O-N 3.14Å; D261-H264 IonicContact OD2-CD2 2.74Å; D261-H264 IonicContact OD2-CE1 3.22Å; D261-H264 PolarHBondContact OD2-CE1 2.71Å; D261-H264 IonicContact OD2-CG 3.81Å; D261-H264 IonicContact OD2-ND1 2.91Å; D261-H264 IonicContact OD2-NE2 2.77Å | ||
| 262 | Y | 93.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -69.6 | -8.9 | 179.1 | -67.1 | -61.2 | 0 | 0 | 0 | 114.4 | A255 V260 H264 Y265 H312 L338 Q342 | A255-Y262 HydrophobicContact CB-CD1 3.58Å; A255-Y262 HydrophobicContact CB-CE1 3.9Å; A255-Y262 HydrophobicContact CB-CG 4.38Å; V260-Y262 HydrophobicContact CG1-CD1 4.39Å; V260-Y262 HydrophobicContact CG1-CD2 4.11Å; V260-Y262 HydrophobicContact CG1-CE1 3.96Å; V260-Y262 HydrophobicContact CG1-CE2 3.68Å; V260-Y262 HydrophobicContact CG1-CG 4.45Å; Y262-H264 PolarHBondContact O-N 3.07Å; Y262-Y265 WeakPolarHBondContact O-CB 3.44Å; Y262-Y265 PolarHBondContact O-N 2.83Å; Y262-H312 AromaticContact CE1-CE1 3.64Å; Y262-L338 PolarHBondContact OH-O 2.79Å; Y262-Q342 HydrophobicContact CD1-CG 3.8Å; Y262-Q342 HydrophobicContact CD2-CB 4.09Å; Y262-Q342 HydrophobicContact CD2-CG 3.91Å; Y262-Q342 HydrophobicContact CE1-CB 4.15Å; Y262-Q342 HydrophobicContact CE1-CG 3.71Å; Y262-Q342 HydrophobicContact CE2-CB 3.55Å; Y262-Q342 HydrophobicContact CE2-CG 3.79Å; Y262-Q342 HydrophobicContact CG-CG 3.9Å |
| 263 | S | 92.8 | Very high | 93.1 | Very high | 92 Ų | 92 | 55.1 Ų | 55.1 | 64% | 0.643 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -62.7 | -20 | 169.7 | 83.5 | 0 | 0 | 0 | 0 | 112.1 | D261 | D261-S263 PolarHBondContact O-N 3.04Å; D261-S263 WeakPolarHBondContact OD1-CB 3.39Å; D261-S263 PolarHBondContact OD1-N 2.9Å; D261-S263 PolarHBondContact OD1-OG 2.83Å; D261-S263 PolarHBondContact OD2-OG 3.44Å |
| 264 | H | 93.8 | Very high | 93.3 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -83.1 | -9.9 | 179.4 | -65.8 | 162.2 | 0 | 0 | 0 | 115.3 | R130 F254 D261 Y262 | R130-H264 VanDerWaalsContact CZ-CD2 3.43Å; R130-H264 VanDerWaalsContact CZ-CG 3.45Å; R130-H264 PolarHBondContact NH1-CD2 3.34Å; R130-H264 PolarHBondContact NH1-NE2 2.92Å; R130-H264 VanDerWaalsContact NH1-NE2 3.12Å; R130-H264 PolarHBondContact NH2-CD2 3.31Å; R130-H264 VanDerWaalsContact NH2-CD2 3.26Å; R130-H264 PolarHBondContact NH2-CE1 3.5Å; R130-H264 PolarHBondContact NH2-ND1 3.44Å; R130-H264 PolarHBondContact NH2-NE2 2.99Å; F254-H264 WeakPolarHBondContact CB-O 3.43Å; F254-H264 VanDerWaalsContact O-CB 3.24Å; F254-H264 WeakPolarHBondContact O-CB 3.39Å; D261-H264 VanDerWaalsContact O-CB 3.23Å; D261-H264 WeakPolarHBondContact O-CB 3.12Å; D261-H264 PolarHBondContact O-N 2.85Å; D261-H264 VanDerWaalsContact O-N 3.14Å; D261-H264 IonicContact OD2-CD2 2.74Å; D261-H264 IonicContact OD2-CE1 3.22Å; D261-H264 PolarHBondContact OD2-CE1 2.71Å; D261-H264 IonicContact OD2-CG 3.81Å; D261-H264 IonicContact OD2-ND1 2.91Å; D261-H264 IonicContact OD2-NE2 2.77Å; Y262-H264 PolarHBondContact O-N 3.07Å |
| 265 | Y | 95.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 18% | 0.18 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -55.5 | 133.2 | 175.2 | -173.8 | -94.4 | 0 | 0 | 0 | 109.9 | F251 N252 Y262 G267 Q271 N305 | F251-Y265 HydrophobicContact CB-CD2 4.39Å; F251-Y265 HydrophobicContact CB-CE2 3.65Å; F251-Y265 WeakPolarHBondContact O-CD2 3.41Å; N252-Y265 VanDerWaalsContact OD1-CE2 3.32Å; N252-Y265 WeakPolarHBondContact OD1-CE2 3.35Å; Y262-Y265 WeakPolarHBondContact O-CB 3.44Å; Y262-Y265 PolarHBondContact O-N 2.83Å; Y265-G267 PolarHBondContact O-N 3.14Å; Y265-Q271 VanDerWaalsContact CE1-NE2 3.27Å; Y265-N305 PolarHBondContact OH-OD1 2.97Å |
| 266 | P | 95.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 5% | 0.045 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 128.1 | -170.7 | 24.1 | -33.3 | 0 | 0 | 0 | 111.4 | F251 F254 F270 Q271 | F251-P266 HydrophobicContact CB-CG 3.81Å; F251-P266 HydrophobicContact CD1-CG 3.89Å; F251-P266 HydrophobicContact CD2-CG 4.13Å; F251-P266 HydrophobicContact CE1-CG 4.49Å; F251-P266 HydrophobicContact CG-CG 3.69Å; F254-P266 HydrophobicContact CD1-CB 4.37Å; F254-P266 HydrophobicContact CD1-CG 4.34Å; F254-P266 HydrophobicContact CE1-CB 4.32Å; F254-P266 HydrophobicContact CE1-CG 4.46Å; F254-P266 HydrophobicContact CG-CG 4.43Å; P266-F270 HydrophobicContact CB-CB 4.3Å; P266-F270 HydrophobicContact CB-CD1 3.44Å; P266-F270 VanDerWaalsContact CB-CD1 3.44Å; P266-F270 HydrophobicContact CB-CE1 4.04Å; P266-F270 HydrophobicContact CB-CG 4.1Å; P266-F270 HydrophobicContact CG-CD1 4.47Å; P266-Q271 HydrophobicContact CB-CG 3.98Å; P266-Q271 HydrophobicContact CG-CG 3.97Å; P266-Q271 WeakPolarHBondContact O-CG 3.29Å; P266-Q271 PolarHBondContact O-NE2 3.3Å |
| 267 | G | 96.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 162.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y265 A269 F270 Q271 | Y265-G267 PolarHBondContact O-N 3.14Å; G267-A269 VanDerWaalsContact C-N 3.34Å; G267-A269 PolarHBondContact O-N 3.33Å; G267-F270 WeakPolarHBondContact O-CB 3.41Å; G267-F270 PolarHBondContact O-N 3.48Å; G267-Q271 PolarHBondContact O-N 2.77Å |
| 268 | R | 97.4 | Very high | 95 | Very high | 121 Ų | 121 | 55.5 Ų | 55.5 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -48.5 | -48.5 | -174.9 | -175 | 173.8 | -170.8 | -83.6 | -3 | 114 | F270 Q271 L272 E298 Y301 | R268-F270 VanDerWaalsContact C-N 3.27Å; R268-F270 PolarHBondContact O-N 2.82Å; R268-Q271 PolarHBondContact O-N 2.76Å; R268-Q271 VanDerWaalsContact O-N 3.15Å; R268-L272 HydrophobicContact CG-CD1 4.1Å; R268-L272 HydrophobicContact CG-CG 4.26Å; R268-L272 WeakPolarHBondContact O-CG 3.39Å; R268-L272 PolarHBondContact O-N 2.91Å; R268-E298 IonicContact CZ-OE1 3.2Å; R268-E298 IonicContact CZ-OE2 3.45Å; R268-E298 IonicContact NH1-OE1 2.66Å; R268-E298 IonicContact NH2-OE1 2.95Å; R268-E298 PolarHBondContact NH2-OE1 2.94Å; R268-E298 IonicContact NH2-OE2 2.59Å; R268-E298 PolarHBondContact NH2-OE2 2.93Å; R268-Y301 HydrophobicContact CB-CE2 4.22Å; R268-Y301 HydrophobicContact CG-CE2 3.79Å |
| 269 | A | 97.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 60% | 0.595 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.1 | -34.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G267 Q273 | G267-A269 VanDerWaalsContact C-N 3.34Å; G267-A269 PolarHBondContact O-N 3.33Å; A269-Q273 WeakPolarHBondContact O-CG 3.47Å; A269-Q273 PolarHBondContact O-NE2 3.2Å; A269-Q273 VanDerWaalsContact O-NE2 3.1Å |
| 270 | F | 97.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.9 | -47.9 | 173.8 | -179.1 | -81 | 0 | 0 | 0 | 110.5 | F135 F254 P266 G267 R268 L272 Q273 W274 | F135-F270 HydrophobicContact CB-CZ 3.93Å; F135-F270 HydrophobicContact CD1-CD2 4.48Å; F135-F270 HydrophobicContact CD1-CE1 4.48Å; F135-F270 AromaticContact CD1-CE2 3.46Å; F135-F270 HydrophobicContact CD1-CE2 3.46Å; F135-F270 VanDerWaalsContact CD1-CE2 3.46Å; F135-F270 AromaticContact CD1-CZ 3.46Å; F135-F270 HydrophobicContact CD1-CZ 3.46Å; F135-F270 VanDerWaalsContact CD1-CZ 3.46Å; F135-F270 HydrophobicContact CE1-CD2 4.39Å; F135-F270 AromaticContact CE1-CE2 3.75Å; F135-F270 HydrophobicContact CE1-CE2 3.75Å; F135-F270 HydrophobicContact CE1-CZ 4.09Å; F135-F270 HydrophobicContact CG-CE2 4.25Å; F135-F270 AromaticContact CG-CZ 3.78Å; F135-F270 HydrophobicContact CG-CZ 3.78Å; F254-F270 AromaticContact CE1-CE1 3.86Å; F254-F270 HydrophobicContact CE1-CE1 3.86Å; F254-F270 AromaticContact CE1-CZ 3.93Å; F254-F270 HydrophobicContact CE1-CZ 3.93Å; F254-F270 AromaticContact CZ-CE1 3.86Å; F254-F270 HydrophobicContact CZ-CE1 3.86Å; F254-F270 HydrophobicContact CZ-CZ 4.08Å; P266-F270 HydrophobicContact CB-CB 4.3Å; P266-F270 HydrophobicContact CB-CD1 3.44Å; P266-F270 VanDerWaalsContact CB-CD1 3.44Å; P266-F270 HydrophobicContact CB-CE1 4.04Å; P266-F270 HydrophobicContact CB-CG 4.1Å; P266-F270 HydrophobicContact CG-CD1 4.47Å; G267-F270 WeakPolarHBondContact O-CB 3.41Å; G267-F270 PolarHBondContact O-N 3.48Å; R268-F270 VanDerWaalsContact C-N 3.27Å; R268-F270 PolarHBondContact O-N 2.82Å; F270-L272 VanDerWaalsContact C-N 3.34Å; F270-L272 PolarHBondContact O-N 2.81Å; F270-Q273 PolarHBondContact O-N 3.45Å; F270-Q273 VanDerWaalsContact O-N 3.17Å; F270-W274 HydrophobicContact CD1-CB 4.43Å; F270-W274 HydrophobicContact CE1-CB 4.23Å; F270-W274 AromaticContact CE1-CD1 3.93Å; F270-W274 HydrophobicContact CE1-CG 4.4Å; F270-W274 PolarHBondContact O-N 3.44Å |
| 271 | Q | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.7 | -47.3 | -179.6 | -66.9 | -171.2 | 35.4 | 0 | 0 | 111.4 | F251 Y265 P266 G267 R268 Q273 W274 L275 Y301 N305 | F251-Q271 HydrophobicContact CD2-CG 4.04Å; F251-Q271 HydrophobicContact CE2-CB 4.07Å; F251-Q271 HydrophobicContact CE2-CG 3.69Å; F251-Q271 HydrophobicContact CZ-CB 4.46Å; F251-Q271 HydrophobicContact CZ-CG 4.27Å; Y265-Q271 VanDerWaalsContact CE1-NE2 3.27Å; P266-Q271 HydrophobicContact CB-CG 3.98Å; P266-Q271 HydrophobicContact CG-CG 3.97Å; P266-Q271 WeakPolarHBondContact O-CG 3.29Å; P266-Q271 PolarHBondContact O-NE2 3.3Å; G267-Q271 PolarHBondContact O-N 2.77Å; R268-Q271 PolarHBondContact O-N 2.76Å; R268-Q271 VanDerWaalsContact O-N 3.15Å; Q271-Q273 VanDerWaalsContact C-N 3.3Å; Q271-Q273 PolarHBondContact O-N 2.93Å; Q271-W274 WeakPolarHBondContact O-CB 3.25Å; Q271-W274 PolarHBondContact O-N 3.04Å; Q271-W274 VanDerWaalsContact O-N 3.11Å; Q271-L275 HydrophobicContact CB-CD1 4.45Å; Q271-L275 WeakPolarHBondContact O-CB 3.35Å; Q271-L275 WeakPolarHBondContact O-CG 3.45Å; Q271-L275 PolarHBondContact O-N 3.38Å; Q271-Y301 HydrophobicContact CB-CD2 4.08Å; Q271-Y301 HydrophobicContact CB-CE2 4.17Å; Q271-Y301 VanDerWaalsContact OE1-CE2 3.3Å; Q271-N305 PolarHBondContact NE2-OD1 2.93Å; Q271-N305 PolarHBondContact OE1-ND2 3.46Å; Q271-N305 PolarHBondContact OE1-OD1 3.46Å |
| 272 | L | 98.6 | Very high | 97.2 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 179.6 | -64.5 | 177.8 | 0 | 0 | 0 | 112.5 | R268 F270 R276 V297 Y301 | R268-L272 HydrophobicContact CG-CD1 4.1Å; R268-L272 HydrophobicContact CG-CG 4.26Å; R268-L272 WeakPolarHBondContact O-CG 3.39Å; R268-L272 PolarHBondContact O-N 2.91Å; F270-L272 VanDerWaalsContact C-N 3.34Å; F270-L272 PolarHBondContact O-N 2.81Å; L272-R276 VanDerWaalsContact O-CB 3.23Å; L272-R276 WeakPolarHBondContact O-CB 3.39Å; L272-R276 PolarHBondContact O-N 3.39Å; L272-V297 HydrophobicContact CB-CG1 4.18Å; L272-V297 HydrophobicContact CD2-CG1 3.7Å; L272-Y301 HydrophobicContact CD2-CD2 4.05Å; L272-Y301 HydrophobicContact CD2-CG 4.05Å |
| 273 | Q | 98.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 40.9 Ų | 40.9 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 175 | -72.6 | 176.3 | 66.1 | 0 | 0 | 112.3 | F135 A269 F270 Q271 S277 | F135-Q273 HydrophobicContact CZ-CB 4.3Å; A269-Q273 WeakPolarHBondContact O-CG 3.47Å; A269-Q273 PolarHBondContact O-NE2 3.2Å; A269-Q273 VanDerWaalsContact O-NE2 3.1Å; F270-Q273 PolarHBondContact O-N 3.45Å; F270-Q273 VanDerWaalsContact O-N 3.17Å; Q271-Q273 VanDerWaalsContact C-N 3.3Å; Q271-Q273 PolarHBondContact O-N 2.93Å; Q273-S277 PolarHBondContact O-N 2.9Å; Q273-S277 VanDerWaalsContact O-N 3.09Å |
| 274 | W | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 177.6 | -168.2 | 106.6 | 0 | 0 | 0 | 111 | F135 I138 A139 L142 I247 H250 F251 F270 Q271 R276 S277 Y278 | F135-W274 HydrophobicContact CD2-CB 4.17Å; F135-W274 AromaticContact CD2-CD1 3.37Å; F135-W274 AromaticContact CD2-CG 3.99Å; F135-W274 HydrophobicContact CD2-CG 3.99Å; F135-W274 HydrophobicContact CE2-CB 4.26Å; F135-W274 AromaticContact CG-CD1 3.76Å; I138-W274 HydrophobicContact CG2-CZ2 4.37Å; A139-W274 HydrophobicContact CB-CD2 4.01Å; A139-W274 HydrophobicContact CB-CE3 4.41Å; A139-W274 HydrophobicContact CB-CH2 4.23Å; A139-W274 HydrophobicContact CB-CZ2 3.85Å; L142-W274 HydrophobicContact CD2-CH2 3.98Å; I247-W274 HydrophobicContact CB-CZ3 4.34Å; I247-W274 HydrophobicContact CD1-CZ3 4.15Å; I247-W274 HydrophobicContact CG1-CH2 4.1Å; I247-W274 HydrophobicContact CG1-CZ3 4Å; I247-W274 HydrophobicContact CG2-CE3 4.07Å; I247-W274 HydrophobicContact CG2-CH2 3.91Å; I247-W274 HydrophobicContact CG2-CZ3 3.44Å; I247-W274 VanDerWaalsContact CG2-CZ3 3.44Å; H250-W274 AromaticContact CD2-CZ2 3.97Å; F251-W274 HydrophobicContact CE1-CB 4.41Å; F251-W274 AromaticContact CE1-CD2 3.66Å; F251-W274 HydrophobicContact CE1-CD2 3.66Å; F251-W274 AromaticContact CE1-CE2 3.95Å; F251-W274 AromaticContact CE1-CE3 3.97Å; F251-W274 HydrophobicContact CE1-CE3 3.97Å; F251-W274 AromaticContact CE1-CG 3.84Å; F251-W274 HydrophobicContact CE1-CG 3.84Å; F251-W274 HydrophobicContact CZ-CB 4.17Å; F251-W274 AromaticContact CZ-CD2 3.77Å; F251-W274 HydrophobicContact CZ-CD2 3.77Å; F251-W274 AromaticContact CZ-CE3 3.69Å; F251-W274 HydrophobicContact CZ-CE3 3.69Å; F251-W274 AromaticContact CZ-CG 3.97Å; F251-W274 HydrophobicContact CZ-CG 3.97Å; F251-W274 HydrophobicContact CZ-CZ3 4.4Å; F270-W274 HydrophobicContact CD1-CB 4.43Å; F270-W274 HydrophobicContact CE1-CB 4.23Å; F270-W274 AromaticContact CE1-CD1 3.93Å; F270-W274 HydrophobicContact CE1-CG 4.4Å; F270-W274 PolarHBondContact O-N 3.44Å; Q271-W274 WeakPolarHBondContact O-CB 3.25Å; Q271-W274 PolarHBondContact O-N 3.04Å; Q271-W274 VanDerWaalsContact O-N 3.11Å; W274-R276 PolarHBondContact O-N 3.14Å; W274-S277 PolarHBondContact O-N 2.93Å; W274-Y278 HydrophobicContact CH2-CD2 4.04Å; W274-Y278 HydrophobicContact CH2-CG 4.38Å; W274-Y278 HydrophobicContact CZ3-CD2 4.02Å; W274-Y278 AromaticContact CZ3-CG 3.9Å; W274-Y278 HydrophobicContact CZ3-CG 3.9Å; W274-Y278 PolarHBondContact O-N 3.21Å |
| 275 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | -178.5 | -66.2 | 173.2 | 0 | 0 | 0 | 111.7 | I247 F251 Q271 Y278 L279 V297 L300 Y301 V304 | I247-L275 HydrophobicContact CD1-CD2 4.46Å; I247-L275 HydrophobicContact CG2-CD2 3.81Å; F251-L275 HydrophobicContact CE2-CD2 4.31Å; F251-L275 HydrophobicContact CZ-CD2 4.26Å; F251-L275 HydrophobicContact CZ-CG 4.47Å; Q271-L275 HydrophobicContact CB-CD1 4.45Å; Q271-L275 WeakPolarHBondContact O-CB 3.35Å; Q271-L275 WeakPolarHBondContact O-CG 3.45Å; Q271-L275 PolarHBondContact O-N 3.38Å; L275-Y278 WeakPolarHBondContact O-CB 3.34Å; L275-Y278 PolarHBondContact O-N 3.05Å; L275-L279 WeakPolarHBondContact O-CB 3.12Å; L275-L279 WeakPolarHBondContact O-CG 3.36Å; L275-L279 PolarHBondContact O-N 2.92Å; L275-V297 HydrophobicContact CB-CG1 4.09Å; L275-L300 HydrophobicContact CB-CD2 4.26Å; L275-L300 HydrophobicContact CD2-CD2 3.73Å; L275-L300 HydrophobicContact CD2-CG 3.92Å; L275-L300 HydrophobicContact CG-CD2 4.49Å; L275-Y301 HydrophobicContact CD1-CD2 4.26Å; L275-V304 HydrophobicContact CD2-CG2 3.95Å |
| 276 | R | 98.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 171.6 | 178.1 | 169.7 | -73.5 | -72.2 | -1.8 | 111.5 | L272 W274 Y278 L279 E280 V292 D294 V297 | L272-R276 VanDerWaalsContact O-CB 3.23Å; L272-R276 WeakPolarHBondContact O-CB 3.39Å; L272-R276 PolarHBondContact O-N 3.39Å; W274-R276 PolarHBondContact O-N 3.14Å; R276-Y278 PolarHBondContact O-N 2.89Å; R276-L279 PolarHBondContact O-N 3.46Å; R276-E280 HydrophobicContact CG-CG 4.47Å; R276-E280 WeakPolarHBondContact CG-OE1 3.36Å; R276-E280 VanDerWaalsContact O-CG 3.3Å; R276-E280 WeakPolarHBondContact O-CG 3.45Å; R276-E280 PolarHBondContact O-N 3.22Å; R276-V292 PolarHBondContact NH1-O 3.35Å; R276-D294 IonicContact CZ-OD1 3.71Å; R276-D294 IonicContact NH2-OD1 2.62Å; R276-D294 PolarHBondContact NH2-OD1 3.39Å; R276-V297 HydrophobicContact CB-CG2 3.93Å; R276-V297 HydrophobicContact CG-CG2 4.43Å |
| 277 | S | 98.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -35.3 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | Q273 W274 A281 | Q273-S277 PolarHBondContact O-N 2.9Å; Q273-S277 VanDerWaalsContact O-N 3.09Å; W274-S277 PolarHBondContact O-N 2.93Å; S277-A281 PolarHBondContact O-N 2.9Å |
| 278 | Y | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -51.1 | 174.3 | 169 | -88.9 | 0 | 0 | 0 | 111.3 | A139 L142 A143 H146 Q243 I247 W274 L275 R276 E280 A281 Y282 L300 | A139-Y278 WeakPolarHBondContact O-CD2 3.17Å; L142-Y278 HydrophobicContact CB-CD2 4.49Å; L142-Y278 HydrophobicContact CB-CE2 4.39Å; L142-Y278 HydrophobicContact CG-CE2 4.32Å; A143-Y278 VanDerWaalsContact CA-CE2 3.43Å; A143-Y278 HydrophobicContact CB-CD2 3.8Å; A143-Y278 HydrophobicContact CB-CE2 3.78Å; A143-Y278 HydrophobicContact CB-CG 4.45Å; A143-Y278 WeakPolarHBondContact CB-O 3.37Å; H146-Y278 WeakPolarHBondContact CB-OH 3.37Å; H146-Y278 AromaticContact ND1-CE2 3.61Å; H146-Y278 AromaticContact ND1-CZ 3.55Å; H146-Y278 PolarHBondContact ND1-OH 3.12Å; Q243-Y278 VanDerWaalsContact CD-OH 3.23Å; Q243-Y278 HydrophobicContact CG-CE1 4.32Å; Q243-Y278 WeakPolarHBondContact CG-OH 3.4Å; Q243-Y278 PolarHBondContact NE2-OH 3.24Å; I247-Y278 HydrophobicContact CD1-CD1 4.1Å; I247-Y278 HydrophobicContact CD1-CD2 4.37Å; I247-Y278 HydrophobicContact CD1-CE1 3.94Å; I247-Y278 HydrophobicContact CD1-CE2 4.18Å; I247-Y278 HydrophobicContact CD1-CG 4.35Å; W274-Y278 HydrophobicContact CH2-CD2 4.04Å; W274-Y278 HydrophobicContact CH2-CG 4.38Å; W274-Y278 HydrophobicContact CZ3-CD2 4.02Å; W274-Y278 AromaticContact CZ3-CG 3.9Å; W274-Y278 HydrophobicContact CZ3-CG 3.9Å; W274-Y278 PolarHBondContact O-N 3.21Å; L275-Y278 WeakPolarHBondContact O-CB 3.34Å; L275-Y278 PolarHBondContact O-N 3.05Å; R276-Y278 PolarHBondContact O-N 2.89Å; Y278-E280 VanDerWaalsContact C-N 3.34Å; Y278-E280 PolarHBondContact O-N 3.41Å; Y278-A281 PolarHBondContact O-N 3.46Å; Y278-Y282 HydrophobicContact CE1-CG 4.42Å; Y278-Y282 WeakPolarHBondContact O-CB 3.26Å; Y278-Y282 PolarHBondContact O-N 3.36Å; Y278-L300 HydrophobicContact CD1-CD2 3.89Å; Y278-L300 HydrophobicContact CE1-CD2 4.2Å |
| 279 | L | 98.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | -178.2 | -76.4 | 171.3 | 0 | 0 | 0 | 112.2 | L275 R276 A281 Y282 K283 V292 E296 V297 L300 | L275-L279 WeakPolarHBondContact O-CB 3.12Å; L275-L279 WeakPolarHBondContact O-CG 3.36Å; L275-L279 PolarHBondContact O-N 2.92Å; R276-L279 PolarHBondContact O-N 3.46Å; L279-A281 PolarHBondContact O-N 3.29Å; L279-Y282 PolarHBondContact O-N 3.48Å; L279-K283 WeakPolarHBondContact O-CG 3.36Å; L279-K283 PolarHBondContact O-N 2.99Å; L279-V292 HydrophobicContact CB-CB 4.45Å; L279-V292 HydrophobicContact CB-CG1 3.82Å; L279-V292 HydrophobicContact CB-CG2 3.72Å; L279-V292 HydrophobicContact CD1-CG1 3.9Å; L279-E296 HydrophobicContact CD1-CB 4.16Å; L279-V297 HydrophobicContact CD1-CG2 4.02Å; L279-L300 HydrophobicContact CD1-CB 4.41Å; L279-L300 HydrophobicContact CD1-CD2 4.03Å; L279-L300 HydrophobicContact CD2-CD2 3.93Å; L279-L300 HydrophobicContact CG-CD2 3.8Å |
| 280 | E | 98.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 176.8 | -74.8 | 167.4 | 177.1 | 0 | 0 | 110.6 | R276 Y278 E284 V292 | R276-E280 HydrophobicContact CG-CG 4.47Å; R276-E280 WeakPolarHBondContact CG-OE1 3.36Å; R276-E280 VanDerWaalsContact O-CG 3.3Å; R276-E280 WeakPolarHBondContact O-CG 3.45Å; R276-E280 PolarHBondContact O-N 3.22Å; Y278-E280 VanDerWaalsContact C-N 3.34Å; Y278-E280 PolarHBondContact O-N 3.41Å; E280-E284 WeakPolarHBondContact O-CB 3.38Å; E280-E284 PolarHBondContact O-N 3.04Å; E280-E284 VanDerWaalsContact O-N 3.1Å; E280-V292 HydrophobicContact CB-CG2 4.29Å; E280-V292 HydrophobicContact CG-CB 4.11Å; E280-V292 HydrophobicContact CG-CG2 3.64Å |
| 281 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.2 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R140 A143 S277 Y278 L279 E284 H285 | R140-A281 HydrophobicContact CB-CB 4.12Å; R140-A281 HydrophobicContact CG-CB 3.83Å; A143-A281 HydrophobicContact CB-CB 3.72Å; S277-A281 PolarHBondContact O-N 2.9Å; Y278-A281 PolarHBondContact O-N 3.46Å; L279-A281 PolarHBondContact O-N 3.29Å; A281-E284 WeakPolarHBondContact O-CB 3.19Å; A281-E284 PolarHBondContact O-N 3.24Å; A281-H285 PolarHBondContact O-CD2 3.16Å; A281-H285 PolarHBondContact O-N 3.39Å |
| 282 | Y | 97.9 | Very high | 96.3 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | 178.7 | -173.6 | -105.2 | 0 | 0 | 0 | 110.9 | H146 A147 Y278 L279 H285 K286 | H146-Y282 HydrophobicContact CB-CD2 4.25Å; H146-Y282 HydrophobicContact CB-CE2 3.93Å; A147-Y282 HydrophobicContact CB-CD2 4.29Å; A147-Y282 HydrophobicContact CB-CE2 4.18Å; Y278-Y282 HydrophobicContact CE1-CG 4.42Å; Y278-Y282 WeakPolarHBondContact O-CB 3.26Å; Y278-Y282 PolarHBondContact O-N 3.36Å; L279-Y282 PolarHBondContact O-N 3.48Å; Y282-H285 PolarHBondContact O-N 3.07Å; Y282-K286 HydrophobicContact CD1-CG 4.36Å; Y282-K286 HydrophobicContact CE1-CG 4.08Å; Y282-K286 HydrophobicContact CE2-CG 4.3Å; Y282-K286 WeakPolarHBondContact O-CB 3.22Å; Y282-K286 WeakPolarHBondContact O-CG 3.48Å; Y282-K286 PolarHBondContact O-N 2.94Å |
| 283 | K | 97 | Very high | 96.3 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 10% | 0.1 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 172.7 | -72.8 | -169.7 | -178.8 | -172.6 | 0 | 111.5 | L279 H285 K286 G287 Q288 A291 V292 E296 | L279-K283 WeakPolarHBondContact O-CG 3.36Å; L279-K283 PolarHBondContact O-N 2.99Å; K283-H285 PolarHBondContact O-N 3.23Å; K283-K286 CarbonylContact O-C 3.53Å; K283-K286 PolarHBondContact O-N 2.79Å; K283-K286 VanDerWaalsContact O-N 3.14Å; K283-G287 PolarHBondContact O-N 3.24Å; K283-Q288 HydrophobicContact CB-CB 4.09Å; K283-Q288 HydrophobicContact CG-CB 4.24Å; K283-Q288 PolarHBondContact O-N 3.48Å; K283-A291 PolarHBondContact NZ-O 2.94Å; K283-V292 HydrophobicContact CD-CG2 3.99Å; K283-E296 WeakPolarHBondContact CE-OE1 3.46Å; K283-E296 IonicContact NZ-OE1 3.92Å; K283-E296 PolarHBondContact NZ-OE1 2.96Å; K283-E296 IonicContact NZ-OE2 3.05Å; K283-E296 PolarHBondContact NZ-OE2 3.29Å |
| 284 | E | 96.6 | Very high | 96.3 | Very high | 114 Ų | 114 | 55.4 Ų | 55.4 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.2 | -50.9 | 175.6 | -175.6 | -171 | 162.2 | 0 | 0 | 111.5 | R140 E280 A281 K286 G287 | R140-E284 IonicContact CZ-OE2 3.5Å; R140-E284 IonicContact NH1-OE2 3.99Å; R140-E284 PolarHBondContact NH1-OE2 2.99Å; R140-E284 IonicContact NH2-OE1 3.89Å; R140-E284 PolarHBondContact NH2-OE1 3.05Å; R140-E284 IonicContact NH2-OE2 3.47Å; R140-E284 PolarHBondContact NH2-OE2 3.21Å; E280-E284 WeakPolarHBondContact O-CB 3.38Å; E280-E284 PolarHBondContact O-N 3.04Å; E280-E284 VanDerWaalsContact O-N 3.1Å; A281-E284 WeakPolarHBondContact O-CB 3.19Å; A281-E284 PolarHBondContact O-N 3.24Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 2.75Å; E284-G287 PolarHBondContact O-N 2.88Å |
| 285 | H | 95.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 59 Ų | 59 | 35% | 0.352 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.4 | -23.4 | 179.6 | -71.5 | -46.9 | 0 | 0 | 0 | 114.3 | K144 A147 A281 Y282 K283 | K144-H285 VanDerWaalsContact CA-CD2 3.4Å; K144-H285 WeakPolarHBondContact CA-CD2 3.35Å; K144-H285 WeakPolarHBondContact CB-NE2 3.24Å; K144-H285 PolarHBondContact N-CD2 3.44Å; A147-H285 HydrophobicContact CB-CB 3.55Å; A281-H285 PolarHBondContact O-CD2 3.16Å; A281-H285 PolarHBondContact O-N 3.39Å; Y282-H285 PolarHBondContact O-N 3.07Å; K283-H285 PolarHBondContact O-N 3.23Å |
| 286 | K | 93 | Very high | 96.2 | Very high | 69 Ų | 69 | 61.9 Ų | 61.9 | 30% | 0.3 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -89.2 | -3.5 | 176 | -67.8 | -73.6 | -66.2 | -167.3 | 0 | 112.9 | A147 H149 Y282 K283 E284 Q288 | A147-K286 HydrophobicContact CB-CD 4.15Å; A147-K286 HydrophobicContact CB-CG 4.26Å; H149-K286 PolarHBondContact CE1-NZ 2.85Å; H149-K286 PolarHBondContact NE2-NZ 2.84Å; Y282-K286 HydrophobicContact CD1-CG 4.36Å; Y282-K286 HydrophobicContact CE1-CG 4.08Å; Y282-K286 HydrophobicContact CE2-CG 4.3Å; Y282-K286 WeakPolarHBondContact O-CB 3.22Å; Y282-K286 WeakPolarHBondContact O-CG 3.48Å; Y282-K286 PolarHBondContact O-N 2.94Å; K283-K286 CarbonylContact O-C 3.53Å; K283-K286 PolarHBondContact O-N 2.79Å; K283-K286 VanDerWaalsContact O-N 3.14Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 2.75Å; K286-Q288 HydrophobicContact CB-CG 3.88Å; K286-Q288 PolarHBondContact O-N 3.06Å |
| 287 | G | 93.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 31.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K283 E284 | K283-G287 PolarHBondContact O-N 3.24Å; E284-G287 PolarHBondContact O-N 2.88Å |
| 288 | Q | 92.4 | Very high | 96.2 | Very high | 98 Ų | 98 | 61 Ų | 61 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | trans | -90.5 | 125.2 | 178.1 | -68.9 | 178.1 | -30.1 | 0 | 0 | 109.8 | K283 K286 | K283-Q288 HydrophobicContact CB-CB 4.09Å; K283-Q288 HydrophobicContact CG-CB 4.24Å; K283-Q288 PolarHBondContact O-N 3.48Å; K286-Q288 HydrophobicContact CB-CG 3.88Å; K286-Q288 PolarHBondContact O-N 3.06Å | ||
| 289 | D | 87.8 | Confident | 96.2 | Very high | 165 Ų | 165 | 63.8 Ų | 63.8 | 88% | 0.882 | 37% | 0.365 | S | S | * | . | trans | -79 | 152.7 | 175.5 | -65 | -45 | 0 | 0 | 0 | 111.8 | ||||
| 290 | G | 90.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 105.9 | 148.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 291 | A | 95.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 60 Ų | 60 | 72% | 0.719 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -66 | 153.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K283 T293 | K283-A291 PolarHBondContact NZ-O 2.94Å; A291-T293 PolarHBondContact O-N 2.94Å |
| 292 | V | 97.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.067 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 123.6 | 168.4 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | R276 L279 E280 K283 E296 V297 | R276-V292 PolarHBondContact NH1-O 3.35Å; L279-V292 HydrophobicContact CB-CB 4.45Å; L279-V292 HydrophobicContact CB-CG1 3.82Å; L279-V292 HydrophobicContact CB-CG2 3.72Å; L279-V292 HydrophobicContact CD1-CG1 3.9Å; E280-V292 HydrophobicContact CB-CG2 4.29Å; E280-V292 HydrophobicContact CG-CB 4.11Å; E280-V292 HydrophobicContact CG-CG2 3.64Å; K283-V292 HydrophobicContact CD-CG2 3.99Å; V292-E296 HydrophobicContact CG1-CB 4.46Å; V292-V297 HydrophobicContact CG1-CG2 3.62Å |
| 293 | T | 97.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 59.4 Ų | 59.4 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 157.5 | 178 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | A291 T295 E296 V297 | A291-T293 PolarHBondContact O-N 2.94Å; T293-T295 VanDerWaalsContact C-N 3.26Å; T293-T295 PolarHBondContact O-N 2.9Å; T293-E296 PolarHBondContact N-OE2 3.39Å; T293-E296 PolarHBondContact O-N 3.04Å; T293-E296 VanDerWaalsContact OG1-CG 3.24Å; T293-E296 WeakPolarHBondContact OG1-CG 3.31Å; T293-E296 PolarHBondContact OG1-N 2.75Å; T293-E296 PolarHBondContact OG1-OE2 3Å; T293-V297 WeakPolarHBondContact O-CG2 3.43Å; T293-V297 PolarHBondContact O-N 2.91Å |
| 294 | D | 98.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 63% | 0.631 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.1 | -37 | 172.6 | -71.2 | -40 | 0 | 0 | 0 | 111.7 | R276 E296 V297 E298 | R276-D294 IonicContact CZ-OD1 3.71Å; R276-D294 IonicContact NH2-OD1 2.62Å; R276-D294 PolarHBondContact NH2-OD1 3.39Å; D294-E296 PolarHBondContact O-N 3.44Å; D294-V297 PolarHBondContact O-N 3.27Å; D294-V297 VanDerWaalsContact O-N 3.14Å; D294-E298 WeakPolarHBondContact O-CG 3.41Å; D294-E298 PolarHBondContact O-N 2.8Å |
| 295 | T | 98.2 | Very high | 96.5 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.8 | -51.2 | 0 | 0 | 0 | 0 | 112.3 | T293 V297 E298 I299 P356 | T293-T295 VanDerWaalsContact C-N 3.26Å; T293-T295 PolarHBondContact O-N 2.9Å; T295-V297 VanDerWaalsContact C-N 3.3Å; T295-V297 PolarHBondContact O-N 2.9Å; T295-E298 PolarHBondContact O-N 2.59Å; T295-I299 HydrophobicContact CG2-CD1 4.02Å; T295-I299 HydrophobicContact CG2-CG1 4.48Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.43Å; T295-I299 PolarHBondContact O-N 3.39Å; T295-P356 HydrophobicContact CG2-CB 4.46Å; T295-P356 HydrophobicContact CG2-CG 4Å |
| 296 | E | 98.2 | Very high | 96.6 | Very high | 62 Ų | 62 | 51.1 Ų | 51.1 | 29% | 0.29 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.7 | -74.9 | 168.9 | 116.2 | 0 | 0 | 112.1 | L279 K283 V292 T293 D294 L300 | L279-E296 HydrophobicContact CD1-CB 4.16Å; K283-E296 WeakPolarHBondContact CE-OE1 3.46Å; K283-E296 IonicContact NZ-OE1 3.92Å; K283-E296 PolarHBondContact NZ-OE1 2.96Å; K283-E296 IonicContact NZ-OE2 3.05Å; K283-E296 PolarHBondContact NZ-OE2 3.29Å; V292-E296 HydrophobicContact CG1-CB 4.46Å; T293-E296 PolarHBondContact N-OE2 3.39Å; T293-E296 PolarHBondContact O-N 3.04Å; T293-E296 VanDerWaalsContact OG1-CG 3.24Å; T293-E296 WeakPolarHBondContact OG1-CG 3.31Å; T293-E296 PolarHBondContact OG1-N 2.75Å; T293-E296 PolarHBondContact OG1-OE2 3Å; D294-E296 PolarHBondContact O-N 3.44Å; E296-L300 PolarHBondContact O-N 3.35Å; E296-L300 VanDerWaalsContact O-N 3.09Å |
| 297 | V | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -42.8 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | L272 L275 R276 L279 V292 T293 D294 T295 L300 Y301 | L272-V297 HydrophobicContact CB-CG1 4.18Å; L272-V297 HydrophobicContact CD2-CG1 3.7Å; L275-V297 HydrophobicContact CB-CG1 4.09Å; R276-V297 HydrophobicContact CB-CG2 3.93Å; R276-V297 HydrophobicContact CG-CG2 4.43Å; L279-V297 HydrophobicContact CD1-CG2 4.02Å; V292-V297 HydrophobicContact CG1-CG2 3.62Å; T293-V297 WeakPolarHBondContact O-CG2 3.43Å; T293-V297 PolarHBondContact O-N 2.91Å; D294-V297 PolarHBondContact O-N 3.27Å; D294-V297 VanDerWaalsContact O-N 3.14Å; T295-V297 VanDerWaalsContact C-N 3.3Å; T295-V297 PolarHBondContact O-N 2.9Å; V297-L300 PolarHBondContact O-N 3.28Å; V297-Y301 WeakPolarHBondContact O-CB 3.44Å; V297-Y301 PolarHBondContact O-N 2.92Å |
| 298 | E | 98.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 45 Ų | 45 | 23% | 0.229 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.2 | -69.8 | -61.8 | 159.9 | 0 | 0 | 112.5 | R268 D294 T295 L300 Y301 V302 P356 | R268-E298 IonicContact CZ-OE1 3.2Å; R268-E298 IonicContact CZ-OE2 3.45Å; R268-E298 IonicContact NH1-OE1 2.66Å; R268-E298 IonicContact NH2-OE1 2.95Å; R268-E298 PolarHBondContact NH2-OE1 2.94Å; R268-E298 IonicContact NH2-OE2 2.59Å; R268-E298 PolarHBondContact NH2-OE2 2.93Å; D294-E298 WeakPolarHBondContact O-CG 3.41Å; D294-E298 PolarHBondContact O-N 2.8Å; T295-E298 PolarHBondContact O-N 2.59Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 2.91Å; E298-Y301 WeakPolarHBondContact O-CB 3.25Å; E298-Y301 PolarHBondContact O-N 3.33Å; E298-V302 WeakPolarHBondContact O-CG2 3.32Å; E298-V302 PolarHBondContact O-N 3.42Å; E298-P356 HydrophobicContact CB-CG 4.21Å |
| 299 | I | 98.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 30% | 0.303 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.6 | -51 | 172.9 | -72.1 | 166.9 | 0 | 0 | 0 | 109.7 | T295 Y301 V302 Q303 L355 P356 | T295-I299 HydrophobicContact CG2-CD1 4.02Å; T295-I299 HydrophobicContact CG2-CG1 4.48Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.43Å; T295-I299 PolarHBondContact O-N 3.39Å; I299-Y301 VanDerWaalsContact C-N 3.32Å; I299-Y301 PolarHBondContact O-N 2.92Å; I299-V302 PolarHBondContact O-N 3.44Å; I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.44Å; I299-Q303 PolarHBondContact O-N 2.85Å; I299-L355 HydrophobicContact CG2-CD2 4.16Å; I299-P356 HydrophobicContact CD1-CG 4.41Å; I299-P356 HydrophobicContact CG1-CG 3.59Å |
| 300 | L | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | -179.4 | -173.9 | 61.9 | 0 | 0 | 0 | 111.4 | I247 L275 Y278 L279 E296 V297 E298 V302 Q303 V304 | I247-L300 HydrophobicContact CD1-CD1 4.37Å; I247-L300 HydrophobicContact CD1-CD2 4.26Å; L275-L300 HydrophobicContact CB-CD2 4.26Å; L275-L300 HydrophobicContact CD2-CD2 3.73Å; L275-L300 HydrophobicContact CD2-CG 3.92Å; L275-L300 HydrophobicContact CG-CD2 4.49Å; Y278-L300 HydrophobicContact CD1-CD2 3.89Å; Y278-L300 HydrophobicContact CE1-CD2 4.2Å; L279-L300 HydrophobicContact CD1-CB 4.41Å; L279-L300 HydrophobicContact CD1-CD2 4.03Å; L279-L300 HydrophobicContact CD2-CD2 3.93Å; L279-L300 HydrophobicContact CG-CD2 3.8Å; E296-L300 PolarHBondContact O-N 3.35Å; E296-L300 VanDerWaalsContact O-N 3.09Å; V297-L300 PolarHBondContact O-N 3.28Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 2.91Å; L300-V302 PolarHBondContact O-N 2.9Å; L300-Q303 PolarHBondContact O-N 3.35Å; L300-V304 HydrophobicContact CD1-CG2 3.86Å; L300-V304 HydrophobicContact CG-CG2 3.97Å; L300-V304 VanDerWaalsContact O-CB 3.25Å; L300-V304 WeakPolarHBondContact O-CB 3.27Å; L300-V304 WeakPolarHBondContact O-CG2 3.31Å; L300-V304 PolarHBondContact O-N 3.12Å |
| 301 | Y | 98.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 175.2 | 172.1 | -95.3 | 0 | 0 | 0 | 112 | R268 Q271 L272 L275 V297 E298 I299 V304 N305 L353 | R268-Y301 HydrophobicContact CB-CE2 4.22Å; R268-Y301 HydrophobicContact CG-CE2 3.79Å; Q271-Y301 HydrophobicContact CB-CD2 4.08Å; Q271-Y301 HydrophobicContact CB-CE2 4.17Å; Q271-Y301 VanDerWaalsContact OE1-CE2 3.3Å; L272-Y301 HydrophobicContact CD2-CD2 4.05Å; L272-Y301 HydrophobicContact CD2-CG 4.05Å; L275-Y301 HydrophobicContact CD1-CD2 4.26Å; V297-Y301 WeakPolarHBondContact O-CB 3.44Å; V297-Y301 PolarHBondContact O-N 2.92Å; E298-Y301 WeakPolarHBondContact O-CB 3.25Å; E298-Y301 PolarHBondContact O-N 3.33Å; I299-Y301 VanDerWaalsContact C-N 3.32Å; I299-Y301 PolarHBondContact O-N 2.92Å; Y301-V304 PolarHBondContact O-N 2.85Å; Y301-N305 VanDerWaalsContact CD2-ND2 3.33Å; Y301-N305 WeakPolarHBondContact CD2-ND2 3.12Å; Y301-N305 WeakPolarHBondContact CE2-ND2 3.42Å; Y301-N305 PolarHBondContact O-N 2.88Å; Y301-N305 VanDerWaalsContact O-N 3.08Å; Y301-N305 PolarHBondContact O-ND2 3.28Å; Y301-L353 HydrophobicContact CE1-CD1 4.35Å; Y301-L353 HydrophobicContact CE1-CD2 4.18Å |
| 302 | V | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | E298 I299 L300 K306 L353 T354 L355 | E298-V302 WeakPolarHBondContact O-CG2 3.32Å; E298-V302 PolarHBondContact O-N 3.42Å; I299-V302 PolarHBondContact O-N 3.44Å; L300-V302 PolarHBondContact O-N 2.9Å; V302-K306 HydrophobicContact CG1-CD 4.09Å; V302-K306 WeakPolarHBondContact O-CB 2.83Å; V302-K306 VanDerWaalsContact O-CG 3.29Å; V302-K306 WeakPolarHBondContact O-CG 3.33Å; V302-K306 PolarHBondContact O-N 3.47Å; V302-K306 VanDerWaalsContact O-N 3.15Å; V302-L353 HydrophobicContact CG1-CB 4.1Å; V302-L353 HydrophobicContact CG2-CB 4.42Å; V302-T354 VanDerWaalsContact CG2-O 3.32Å; V302-T354 WeakPolarHBondContact CG2-O 3.37Å; V302-L355 HydrophobicContact CB-CD2 4.06Å; V302-L355 HydrophobicContact CG1-CD2 3.92Å; V302-L355 HydrophobicContact CG1-CG 4.33Å |
| 303 | Q | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.3 | -52.4 | 177.6 | -69.7 | 172.6 | -18.4 | 0 | 0 | 111.1 | L205 A244 I299 L300 N305 K306 F307 | L205-Q303 HydrophobicContact CB-CG 4.21Å; L205-Q303 PolarHBondContact O-NE2 3.11Å; A244-Q303 HydrophobicContact CB-CB 3.71Å; I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.44Å; I299-Q303 PolarHBondContact O-N 2.85Å; L300-Q303 PolarHBondContact O-N 3.35Å; Q303-N305 PolarHBondContact O-N 2.94Å; Q303-K306 PolarHBondContact O-N 3.13Å; Q303-F307 VanDerWaalsContact O-CD2 3.31Å; Q303-F307 WeakPolarHBondContact O-CD2 3.28Å; Q303-F307 PolarHBondContact O-N 3.43Å |
| 304 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | -176.3 | 164.9 | 0 | 0 | 0 | 0 | 111.8 | A244 I247 F251 L275 L300 Y301 K306 F307 A308 | A244-V304 HydrophobicContact CB-CG2 4.09Å; I247-V304 HydrophobicContact CB-CG1 4.32Å; I247-V304 HydrophobicContact CB-CG2 3.88Å; I247-V304 HydrophobicContact CD1-CG2 4.21Å; I247-V304 HydrophobicContact CG2-CG1 3.81Å; I247-V304 HydrophobicContact CG2-CG2 3.82Å; F251-V304 HydrophobicContact CD2-CG1 3.7Å; F251-V304 HydrophobicContact CE2-CG1 3.72Å; L275-V304 HydrophobicContact CD2-CG2 3.95Å; L300-V304 HydrophobicContact CD1-CG2 3.86Å; L300-V304 HydrophobicContact CG-CG2 3.97Å; L300-V304 VanDerWaalsContact O-CB 3.25Å; L300-V304 WeakPolarHBondContact O-CB 3.27Å; L300-V304 WeakPolarHBondContact O-CG2 3.31Å; L300-V304 PolarHBondContact O-N 3.12Å; Y301-V304 PolarHBondContact O-N 2.85Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 3.3Å; V304-F307 CarbonylContact O-C 3.52Å; V304-F307 PolarHBondContact O-N 3.5Å; V304-A308 PolarHBondContact O-N 3.04Å |
| 305 | N | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66 | -37.6 | -179.8 | -74 | -80 | 0 | 0 | 0 | 111.6 | Y265 Q271 Y301 Q303 A308 T350 L353 | Y265-N305 PolarHBondContact OH-OD1 2.97Å; Q271-N305 PolarHBondContact NE2-OD1 2.93Å; Q271-N305 PolarHBondContact OE1-ND2 3.46Å; Q271-N305 PolarHBondContact OE1-OD1 3.46Å; Y301-N305 VanDerWaalsContact CD2-ND2 3.33Å; Y301-N305 WeakPolarHBondContact CD2-ND2 3.12Å; Y301-N305 WeakPolarHBondContact CE2-ND2 3.42Å; Y301-N305 PolarHBondContact O-N 2.88Å; Y301-N305 VanDerWaalsContact O-N 3.08Å; Y301-N305 PolarHBondContact O-ND2 3.28Å; Q303-N305 PolarHBondContact O-N 2.94Å; N305-A308 WeakPolarHBondContact O-CB 3.31Å; N305-A308 PolarHBondContact O-N 2.82Å; N305-T350 VanDerWaalsContact O-CG2 3.3Å; N305-T350 WeakPolarHBondContact O-CG2 3.49Å; N305-L353 HydrophobicContact CB-CD1 3.78Å |
| 306 | K | 98.3 | Very high | 98.1 | Very high | 26 Ų | 26 | 13.8 Ų | 13.8 | 11% | 0.113 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 173.7 | -73.3 | -176.4 | -173.3 | -67.6 | 0 | 112.7 | L202 L205 V302 Q303 V304 L309 T350 A351 L353 | L202-K306 HydrophobicContact CD2-CB 3.55Å; L205-K306 HydrophobicContact CD1-CB 3.82Å; L205-K306 HydrophobicContact CD1-CD 3.58Å; L205-K306 HydrophobicContact CD1-CG 4.35Å; L205-K306 HydrophobicContact CD2-CD 3.88Å; L205-K306 HydrophobicContact CG-CD 4.37Å; V302-K306 HydrophobicContact CG1-CD 4.09Å; V302-K306 WeakPolarHBondContact O-CB 2.83Å; V302-K306 VanDerWaalsContact O-CG 3.29Å; V302-K306 WeakPolarHBondContact O-CG 3.33Å; V302-K306 PolarHBondContact O-N 3.47Å; V302-K306 VanDerWaalsContact O-N 3.15Å; Q303-K306 PolarHBondContact O-N 3.13Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 3.3Å; K306-L309 WeakPolarHBondContact O-CB 3.34Å; K306-L309 PolarHBondContact O-N 2.82Å; K306-T350 HydrophobicContact CB-CG2 4.1Å; K306-T350 HydrophobicContact CG-CG2 3.69Å; K306-T350 PolarHBondContact NZ-O 3.48Å; K306-A351 PolarHBondContact NZ-O 3.18Å; K306-A351 VanDerWaalsContact NZ-O 3.1Å; K306-L353 WeakPolarHBondContact CE-O 3.46Å; K306-L353 PolarHBondContact NZ-O 2.79Å |
| 307 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -76.7 | -21.2 | 176 | -84.7 | -82.3 | 0 | 0 | 0 | 113.9 | W161 L202 L205 Y242 A244 Y245 Q303 V304 L309 A310 S311 | W161-F307 HydrophobicContact CZ2-CE1 4.36Å; L202-F307 HydrophobicContact CB-CD1 4.46Å; L202-F307 HydrophobicContact CB-CE1 3.89Å; L202-F307 HydrophobicContact CB-CE2 4.19Å; L202-F307 HydrophobicContact CB-CZ 3.74Å; L202-F307 HydrophobicContact CD1-CD1 3.99Å; L202-F307 HydrophobicContact CD1-CE1 4.17Å; L202-F307 HydrophobicContact CD1-CG 4.39Å; L205-F307 HydrophobicContact CD1-CD2 4.36Å; L205-F307 HydrophobicContact CD1-CE2 4.09Å; Y242-F307 HydrophobicContact CD1-CE1 4.19Å; Y242-F307 AromaticContact CD1-CZ 3.76Å; Y242-F307 HydrophobicContact CD1-CZ 3.76Å; Y242-F307 HydrophobicContact CD2-CD1 4.3Å; Y242-F307 AromaticContact CD2-CE1 3.36Å; Y242-F307 HydrophobicContact CD2-CE1 3.36Å; Y242-F307 AromaticContact CD2-CZ 3.81Å; Y242-F307 HydrophobicContact CD2-CZ 3.81Å; Y242-F307 HydrophobicContact CE1-CZ 4.28Å; Y242-F307 AromaticContact CE2-CE1 3.99Å; Y242-F307 HydrophobicContact CE2-CE1 3.99Å; Y242-F307 HydrophobicContact CE2-CZ 4.34Å; Y242-F307 HydrophobicContact CG-CD1 4.41Å; Y242-F307 AromaticContact CG-CE1 3.47Å; Y242-F307 HydrophobicContact CG-CE1 3.47Å; Y242-F307 VanDerWaalsContact CG-CE1 3.47Å; Y242-F307 HydrophobicContact CG-CE2 4.45Å; Y242-F307 AromaticContact CG-CZ 3.49Å; Y242-F307 HydrophobicContact CG-CZ 3.49Å; Y242-F307 VanDerWaalsContact CG-CZ 3.49Å; A244-F307 HydrophobicContact CB-CB 4.14Å; A244-F307 HydrophobicContact CB-CD2 3.49Å; A244-F307 VanDerWaalsContact CB-CD2 3.49Å; A244-F307 HydrophobicContact CB-CE2 4.16Å; A244-F307 HydrophobicContact CB-CG 4.02Å; Y245-F307 HydrophobicContact CD2-CD1 4.44Å; Q303-F307 VanDerWaalsContact O-CD2 3.31Å; Q303-F307 WeakPolarHBondContact O-CD2 3.28Å; Q303-F307 PolarHBondContact O-N 3.43Å; V304-F307 CarbonylContact O-C 3.52Å; V304-F307 PolarHBondContact O-N 3.5Å; F307-L309 PolarHBondContact O-N 2.97Å; F307-A310 HydrophobicContact CD1-CB 4.49Å; F307-A310 WeakPolarHBondContact O-CA 3.49Å; F307-A310 WeakPolarHBondContact O-CB 3.45Å; F307-A310 PolarHBondContact O-N 2.96Å; F307-S311 PolarHBondContact O-N 2.85Å; F307-S311 VanDerWaalsContact O-N 3.08Å |
| 308 | A | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 11 Ų | 11 | 3% | 0.033 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.7 | -32.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N252 V304 N305 S311 H312 | N252-A308 PolarHBondContact ND2-O 3.43Å; V304-A308 PolarHBondContact O-N 3.04Å; N305-A308 WeakPolarHBondContact O-CB 3.31Å; N305-A308 PolarHBondContact O-N 2.82Å; A308-S311 WeakPolarHBondContact O-CB 3.46Å; A308-S311 PolarHBondContact O-N 3.45Å; A308-H312 PolarHBondContact O-N 2.85Å |
| 309 | L | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.016 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 169.4 | -65.4 | 178.9 | 0 | 0 | 0 | 112.1 | W197 L198 K306 F307 S311 H312 F313 Y343 M346 K347 T350 | W197-L309 HydrophobicContact CH2-CD1 4.4Å; W197-L309 HydrophobicContact CZ3-CD1 4.32Å; L198-L309 HydrophobicContact CD2-CB 4.23Å; K306-L309 WeakPolarHBondContact O-CB 3.34Å; K306-L309 PolarHBondContact O-N 2.82Å; F307-L309 PolarHBondContact O-N 2.97Å; L309-S311 PolarHBondContact O-N 3.35Å; L309-H312 PolarHBondContact O-N 3.35Å; L309-F313 PolarHBondContact O-N 3.2Å; L309-Y343 HydrophobicContact CB-CD2 3.87Å; L309-Y343 HydrophobicContact CB-CE2 3.82Å; L309-Y343 HydrophobicContact CD2-CD2 4.15Å; L309-Y343 VanDerWaalsContact O-CD2 3.3Å; L309-Y343 WeakPolarHBondContact O-CD2 3.17Å; L309-M346 HydrophobicContact CD2-CB 3.81Å; L309-K347 HydrophobicContact CD1-CB 4.37Å; L309-K347 HydrophobicContact CD1-CG 4.49Å; L309-T350 HydrophobicContact CD1-CG2 3.59Å; L309-T350 HydrophobicContact CG-CG2 3.88Å |
| 310 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -62.4 | -34 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L160 W161 M164 L198 L202 Y245 F307 F313 F314 | L160-A310 HydrophobicContact CD2-CB 4.47Å; W161-A310 HydrophobicContact CH2-CB 4.43Å; M164-A310 HydrophobicContact CE-CB 4.27Å; M164-A310 WeakPolarHBondContact CE-O 3.44Å; L198-A310 HydrophobicContact CD2-CB 4.35Å; L202-A310 HydrophobicContact CD1-CB 3.75Å; Y245-A310 HydrophobicContact CD2-CB 4.07Å; Y245-A310 HydrophobicContact CE2-CB 4.18Å; F307-A310 HydrophobicContact CD1-CB 4.49Å; F307-A310 WeakPolarHBondContact O-CA 3.49Å; F307-A310 WeakPolarHBondContact O-CB 3.45Å; F307-A310 PolarHBondContact O-N 2.96Å; A310-F313 PolarHBondContact O-N 2.86Å; A310-F314 VanDerWaalsContact O-CB 3.29Å; A310-F314 WeakPolarHBondContact O-CB 3.42Å; A310-F314 PolarHBondContact O-N 2.92Å |
| 311 | S | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64 | -47.7 | 171.9 | 160.2 | 0 | 0 | 0 | 0 | 111.7 | N249 N252 F307 A308 L309 F313 F314 W315 R339 | N249-S311 WeakPolarHBondContact OD1-CB 3.44Å; N249-S311 PolarHBondContact OD1-OG 2.91Å; N252-S311 WeakPolarHBondContact ND2-CB 3.44Å; N252-S311 PolarHBondContact ND2-OG 3.36Å; F307-S311 PolarHBondContact O-N 2.85Å; F307-S311 VanDerWaalsContact O-N 3.08Å; A308-S311 WeakPolarHBondContact O-CB 3.46Å; A308-S311 PolarHBondContact O-N 3.45Å; L309-S311 PolarHBondContact O-N 3.35Å; S311-F313 VanDerWaalsContact C-N 3.29Å; S311-F313 PolarHBondContact O-N 3.19Å; S311-F314 PolarHBondContact O-N 3.01Å; S311-W315 PolarHBondContact O-N 3.37Å; S311-R339 PolarHBondContact O-NH2 3.39Å; S311-R339 PolarHBondContact OG-NH2 2.91Å |
| 312 | H | 98 | Very high | 96 | Very high | 5 Ų | 5 | 5.5 Ų | 5.5 | 2% | 0.023 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -56.1 | -46 | 174.3 | -74 | -49.4 | 0 | 0 | 0 | 112.2 | N252 Y262 A308 L309 G316 R339 Q342 | N252-H312 VanDerWaalsContact CG-CE1 3.48Å; N252-H312 PolarHBondContact OD1-CE1 3.04Å; N252-H312 PolarHBondContact OD1-NE2 3.32Å; Y262-H312 AromaticContact CE1-CE1 3.64Å; A308-H312 PolarHBondContact O-N 2.85Å; L309-H312 PolarHBondContact O-N 3.35Å; H312-G316 PolarHBondContact O-N 3.07Å; H312-R339 PolarHBondContact ND1-NE 3.23Å; H312-Q342 WeakPolarHBondContact NE2-CG 2.97Å |
| 313 | F | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 179.4 | -165.1 | -99.3 | 0 | 0 | 0 | 112.2 | M164 L191 E194 L195 L198 L309 A310 S311 G316 L317 F340 Y343 | M164-F313 HydrophobicContact CE-CD1 4.26Å; M164-F313 HydrophobicContact SD-CD1 4.07Å; L191-F313 HydrophobicContact CB-CZ 4.21Å; L191-F313 HydrophobicContact CD2-CE2 3.63Å; L191-F313 HydrophobicContact CD2-CZ 3.98Å; L191-F313 VanDerWaalsContact O-CZ 3.32Å; L191-F313 WeakPolarHBondContact O-CZ 3.27Å; E194-F313 HydrophobicContact CB-CD2 4.44Å; E194-F313 HydrophobicContact CB-CE2 3.73Å; E194-F313 HydrophobicContact CB-CZ 4.16Å; L195-F313 HydrophobicContact CB-CE1 3.96Å; L195-F313 HydrophobicContact CB-CZ 4.24Å; L195-F313 HydrophobicContact CD1-CE1 4.26Å; L198-F313 HydrophobicContact CD1-CB 3.72Å; L198-F313 HydrophobicContact CD1-CD1 3.82Å; L198-F313 HydrophobicContact CD1-CD2 4.24Å; L198-F313 HydrophobicContact CD1-CG 3.67Å; L309-F313 PolarHBondContact O-N 3.2Å; A310-F313 PolarHBondContact O-N 2.86Å; S311-F313 VanDerWaalsContact C-N 3.29Å; S311-F313 PolarHBondContact O-N 3.19Å; F313-G316 PolarHBondContact O-N 2.9Å; F313-L317 HydrophobicContact CD1-CD1 3.92Å; F313-L317 HydrophobicContact CD1-CG 4.34Å; F313-L317 HydrophobicContact CE1-CD1 3.6Å; F313-L317 HydrophobicContact CE1-CD2 4.4Å; F313-L317 HydrophobicContact CE1-CG 4.11Å; F313-L317 HydrophobicContact CZ-CD1 4.39Å; F313-L317 HydrophobicContact CZ-CD2 4.42Å; F313-L317 WeakPolarHBondContact O-CG 3.42Å; F313-L317 PolarHBondContact O-N 3.47Å; F313-F340 HydrophobicContact CD2-CD1 4.19Å; F313-F340 AromaticContact CD2-CE1 3.78Å; F313-F340 HydrophobicContact CD2-CE1 3.78Å; F313-F340 HydrophobicContact CE2-CD1 4.46Å; F313-F340 AromaticContact CE2-CE1 3.89Å; F313-F340 HydrophobicContact CE2-CE1 3.89Å; F313-F340 HydrophobicContact CG-CE1 4.46Å; F313-Y343 HydrophobicContact CB-CD2 4.14Å; F313-Y343 HydrophobicContact CB-CE2 4.23Å; F313-Y343 HydrophobicContact CD2-CE1 4.42Å; F313-Y343 HydrophobicContact CD2-CE2 4.4Å |
| 314 | F | 97.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 12 Ų | 12 | 4% | 0.035 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57 | -54.4 | 178.1 | -175.8 | -93.7 | 0 | 0 | 0 | 111.5 | L160 K163 M164 Y167 Y245 A310 S311 G316 L317 W318 | L160-F314 HydrophobicContact CD1-CD2 3.94Å; L160-F314 HydrophobicContact CD1-CE2 4.43Å; K163-F314 HydrophobicContact CB-CE2 4.17Å; M164-F314 HydrophobicContact CE-CB 3.53Å; M164-F314 HydrophobicContact CE-CD2 3.99Å; M164-F314 HydrophobicContact CE-CG 4.27Å; M164-F314 HydrophobicContact CG-CD2 3.88Å; Y167-F314 HydrophobicContact CD2-CE2 4.3Å; Y167-F314 HydrophobicContact CD2-CZ 4.5Å; Y167-F314 HydrophobicContact CE2-CD2 4.39Å; Y167-F314 HydrophobicContact CE2-CE1 4.09Å; Y167-F314 AromaticContact CE2-CE2 3.69Å; Y167-F314 HydrophobicContact CE2-CE2 3.69Å; Y167-F314 AromaticContact CE2-CZ 3.51Å; Y167-F314 HydrophobicContact CE2-CZ 3.51Å; Y167-F314 AromaticContact CZ-CZ 3.99Å; Y245-F314 WeakPolarHBondContact OH-CB 3.46Å; Y245-F314 WeakPolarHBondContact OH-CD1 3.41Å; Y245-F314 VanDerWaalsContact OH-CG 3.32Å; Y245-F314 WeakPolarHBondContact OH-CG 3.39Å; A310-F314 VanDerWaalsContact O-CB 3.29Å; A310-F314 WeakPolarHBondContact O-CB 3.42Å; A310-F314 PolarHBondContact O-N 2.92Å; S311-F314 PolarHBondContact O-N 3.01Å; F314-G316 VanDerWaalsContact C-N 3.31Å; F314-G316 PolarHBondContact O-N 3.07Å; F314-L317 PolarHBondContact O-N 3.44Å; F314-W318 PolarHBondContact O-N 3.48Å |
| 315 | W | 96.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 15 Ų | 15 | 4% | 0.038 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -71.9 | -26.6 | -176.4 | -70 | 110.8 | 0 | 0 | 0 | 112.6 | D215 Y237 N249 S311 W318 A319 R339 | D215-W315 HydrophobicContact CB-CH2 4.11Å; D215-W315 HydrophobicContact CB-CZ2 3.87Å; D215-W315 VanDerWaalsContact OD1-CZ2 3.27Å; D215-W315 WeakPolarHBondContact OD1-CZ2 3.36Å; Y237-W315 AromaticContact CD2-CH2 3.76Å; Y237-W315 HydrophobicContact CD2-CH2 3.76Å; Y237-W315 HydrophobicContact CE1-CH2 4.46Å; Y237-W315 AromaticContact CE2-CH2 3.67Å; Y237-W315 HydrophobicContact CE2-CH2 3.67Å; Y237-W315 HydrophobicContact CE2-CZ3 4.12Å; Y237-W315 HydrophobicContact CG-CH2 4.22Å; N249-W315 PolarHBondContact OD1-NE1 3.48Å; S311-W315 PolarHBondContact O-N 3.37Å; W315-W318 HydrophobicContact CE3-CB 4.02Å; W315-W318 AromaticContact CE3-CD2 3.73Å; W315-W318 HydrophobicContact CE3-CD2 3.73Å; W315-W318 AromaticContact CE3-CE3 3.91Å; W315-W318 HydrophobicContact CE3-CE3 3.91Å; W315-W318 AromaticContact CE3-CG 3.76Å; W315-W318 HydrophobicContact CE3-CG 3.76Å; W315-W318 AromaticContact CZ3-CD1 3.92Å; W315-W318 AromaticContact CZ3-CD2 3.85Å; W315-W318 HydrophobicContact CZ3-CD2 3.85Å; W315-W318 AromaticContact CZ3-CE2 3.92Å; W315-W318 HydrophobicContact CZ3-CE3 4.35Å; W315-W318 AromaticContact CZ3-CG 3.91Å; W315-W318 HydrophobicContact CZ3-CG 3.91Å; W315-W318 HydrophobicContact CZ3-CZ2 4.49Å; W315-W318 AromaticContact CZ3-NE1 3.93Å; W315-A319 WeakPolarHBondContact O-CB 3.25Å; W315-A319 PolarHBondContact O-N 2.96Å; W315-R339 HydrophobicContact CB-CG 4.49Å |
| 316 | G | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H312 F313 F314 A319 L320 | H312-G316 PolarHBondContact O-N 3.07Å; F313-G316 PolarHBondContact O-N 2.9Å; F314-G316 VanDerWaalsContact C-N 3.31Å; F314-G316 PolarHBondContact O-N 3.07Å; G316-A319 PolarHBondContact O-N 3.24Å; G316-L320 WeakPolarHBondContact O-CG 3.34Å; G316-L320 PolarHBondContact O-N 3.48Å |
| 317 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 174.3 | -65.3 | 175.6 | 0 | 0 | 0 | 111.5 | M164 Y167 I171 L191 F313 F314 A319 L320 I321 F340 | M164-L317 HydrophobicContact CB-CD1 4.25Å; M164-L317 HydrophobicContact CG-CD1 4.32Å; Y167-L317 HydrophobicContact CD2-CB 4.3Å; I171-L317 HydrophobicContact CD1-CB 3.9Å; I171-L317 HydrophobicContact CD1-CD2 3.48Å; I171-L317 VanDerWaalsContact CD1-CD2 3.48Å; I171-L317 HydrophobicContact CD1-CG 4.27Å; L191-L317 HydrophobicContact CD1-CD2 4.14Å; F313-L317 HydrophobicContact CD1-CD1 3.92Å; F313-L317 HydrophobicContact CD1-CG 4.34Å; F313-L317 HydrophobicContact CE1-CD1 3.6Å; F313-L317 HydrophobicContact CE1-CD2 4.4Å; F313-L317 HydrophobicContact CE1-CG 4.11Å; F313-L317 HydrophobicContact CZ-CD1 4.39Å; F313-L317 HydrophobicContact CZ-CD2 4.42Å; F313-L317 WeakPolarHBondContact O-CG 3.42Å; F313-L317 PolarHBondContact O-N 3.47Å; F314-L317 PolarHBondContact O-N 3.44Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 2.73Å; L317-L320 PolarHBondContact O-N 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 3.13Å; L317-I321 VanDerWaalsContact O-N 3.11Å; L317-F340 HydrophobicContact CD2-CZ 4.07Å; L317-F340 HydrophobicContact CG-CZ 4.33Å |
| 318 | W | 93.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.6 | -48.4 | 176.2 | 172.4 | 97.6 | 0 | 0 | 0 | 111.3 | I55 Y167 Y237 F314 W315 L320 I321 Q322 F332 Y335 | I55-W318 HydrophobicContact CD1-CH2 3.69Å; I55-W318 HydrophobicContact CD1-CZ2 4.34Å; Y167-W318 HydrophobicContact CE2-CB 4.22Å; Y237-W318 AromaticContact CZ-NE1 3.84Å; Y237-W318 PolarHBondContact OH-NE1 2.97Å; F314-W318 PolarHBondContact O-N 3.48Å; W315-W318 HydrophobicContact CE3-CB 4.02Å; W315-W318 AromaticContact CE3-CD2 3.73Å; W315-W318 HydrophobicContact CE3-CD2 3.73Å; W315-W318 AromaticContact CE3-CE3 3.91Å; W315-W318 HydrophobicContact CE3-CE3 3.91Å; W315-W318 AromaticContact CE3-CG 3.76Å; W315-W318 HydrophobicContact CE3-CG 3.76Å; W315-W318 AromaticContact CZ3-CD1 3.92Å; W315-W318 AromaticContact CZ3-CD2 3.85Å; W315-W318 HydrophobicContact CZ3-CD2 3.85Å; W315-W318 AromaticContact CZ3-CE2 3.92Å; W315-W318 HydrophobicContact CZ3-CE3 4.35Å; W315-W318 AromaticContact CZ3-CG 3.91Å; W315-W318 HydrophobicContact CZ3-CG 3.91Å; W315-W318 HydrophobicContact CZ3-CZ2 4.49Å; W315-W318 AromaticContact CZ3-NE1 3.93Å; W318-L320 VanDerWaalsContact C-N 3.35Å; W318-L320 PolarHBondContact O-N 2.92Å; W318-I321 PolarHBondContact O-N 3.41Å; W318-I321 VanDerWaalsContact O-N 3.13Å; W318-Q322 HydrophobicContact CD2-CG 3.95Å; W318-Q322 HydrophobicContact CE3-CG 4.3Å; W318-Q322 HydrophobicContact CH2-CG 4.13Å; W318-Q322 HydrophobicContact CZ2-CG 3.77Å; W318-Q322 HydrophobicContact CZ3-CG 4.37Å; W318-Q322 WeakPolarHBondContact O-CG 3.48Å; W318-Q322 PolarHBondContact O-N 2.99Å; W318-F332 HydrophobicContact CH2-CD1 4.07Å; W318-F332 AromaticContact CH2-CE1 3.55Å; W318-F332 HydrophobicContact CH2-CE1 3.55Å; W318-F332 HydrophobicContact CZ2-CE1 4.36Å; W318-F332 AromaticContact CZ3-CD1 3.91Å; W318-F332 HydrophobicContact CZ3-CD1 3.91Å; W318-F332 AromaticContact CZ3-CE1 3.88Å; W318-F332 HydrophobicContact CZ3-CE1 3.88Å; W318-Y335 HydrophobicContact CZ3-CD1 4.39Å; W318-Y335 HydrophobicContact CZ3-CE1 4.36Å |
| 319 | A | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -37 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W315 G316 L317 I321 Q322 S323 F332 Y335 A336 | W315-A319 WeakPolarHBondContact O-CB 3.25Å; W315-A319 PolarHBondContact O-N 2.96Å; G316-A319 PolarHBondContact O-N 3.24Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 2.73Å; A319-I321 VanDerWaalsContact C-N 3.33Å; A319-I321 PolarHBondContact O-N 3.4Å; A319-Q322 PolarHBondContact O-N 2.68Å; A319-S323 PolarHBondContact O-N 3.36Å; A319-F332 WeakPolarHBondContact CB-O 3.49Å; A319-F332 WeakPolarHBondContact O-CB 3.48Å; A319-Y335 HydrophobicContact CB-CD1 3.79Å; A319-A336 HydrophobicContact CB-CB 3.77Å |
| 320 | L | 90.2 | Very high | 90 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59 | -44 | 171.6 | -78 | -180 | 0 | 0 | 0 | 112.1 | I171 F175 V185 L191 G316 L317 W318 S323 L333 A336 F340 | I171-L320 HydrophobicContact CD1-CB 4.1Å; I171-L320 HydrophobicContact CD1-CD1 4.28Å; I171-L320 HydrophobicContact CG1-CB 4.3Å; F175-L320 WeakPolarHBondContact CE2-O 3.46Å; F175-L320 VanDerWaalsContact CZ-O 3.24Å; F175-L320 WeakPolarHBondContact CZ-O 3.46Å; V185-L320 HydrophobicContact CG1-CD2 4.19Å; V185-L320 HydrophobicContact CG2-CD2 4.16Å; L191-L320 HydrophobicContact CD1-CD1 4.38Å; G316-L320 WeakPolarHBondContact O-CG 3.34Å; G316-L320 PolarHBondContact O-N 3.48Å; L317-L320 PolarHBondContact O-N 3.28Å; W318-L320 VanDerWaalsContact C-N 3.35Å; W318-L320 PolarHBondContact O-N 2.92Å; L320-S323 PolarHBondContact O-N 3.22Å; L320-S323 PolarHBondContact O-OG 3Å; L320-L333 HydrophobicContact CD2-CD1 4.02Å; L320-A336 HydrophobicContact CD2-CB 3.85Å; L320-A336 HydrophobicContact CG-CB 3.87Å; L320-F340 HydrophobicContact CD1-CE2 3.6Å; L320-F340 HydrophobicContact CD1-CZ 4.06Å; L320-F340 HydrophobicContact CG-CE2 4.01Å |
| 321 | I | 89.4 | Confident | 89.5 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.7 | -63.1 | 165.6 | 0 | 0 | 0 | 109.7 | L84 Y167 L170 I171 L317 W318 A319 S323 K324 F325 | L84-I321 HydrophobicContact CD1-CG2 4.5Å; L84-I321 HydrophobicContact CD2-CB 4.46Å; L84-I321 HydrophobicContact CD2-CD1 3.85Å; L84-I321 HydrophobicContact CD2-CG2 4.06Å; Y167-I321 HydrophobicContact CD1-CD1 3.93Å; Y167-I321 HydrophobicContact CD2-CD1 4.27Å; Y167-I321 HydrophobicContact CG-CD1 3.68Å; L170-I321 HydrophobicContact CB-CD1 4.26Å; L170-I321 HydrophobicContact CD1-CD1 4.28Å; I171-I321 HydrophobicContact CD1-CD1 4.37Å; I171-I321 HydrophobicContact CD1-CG1 4.06Å; I171-I321 HydrophobicContact CG1-CD1 4.18Å; I171-I321 HydrophobicContact CG1-CG1 3.55Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 3.13Å; L317-I321 VanDerWaalsContact O-N 3.11Å; W318-I321 PolarHBondContact O-N 3.41Å; W318-I321 VanDerWaalsContact O-N 3.13Å; A319-I321 VanDerWaalsContact C-N 3.33Å; A319-I321 PolarHBondContact O-N 3.4Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 2.85Å; I321-K324 PolarHBondContact O-N 3.12Å; I321-K324 VanDerWaalsContact O-N 3.11Å; I321-F325 HydrophobicContact CG2-CD2 3.72Å; I321-F325 HydrophobicContact CG2-CE2 4.11Å; I321-F325 VanDerWaalsContact O-CD2 3.29Å; I321-F325 WeakPolarHBondContact O-CD2 3.3Å; I321-F325 PolarHBondContact O-N 2.98Å |
| 322 | Q | 87.7 | Confident | 89.1 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -34.8 | -179.4 | -70.1 | -69.5 | 12.1 | 0 | 0 | 113.1 | L84 W318 A319 K324 F325 S326 F332 | L84-Q322 HydrophobicContact CD1-CG 4.09Å; L84-Q322 VanDerWaalsContact CD1-NE2 3.27Å; W318-Q322 HydrophobicContact CD2-CG 3.95Å; W318-Q322 HydrophobicContact CE3-CG 4.3Å; W318-Q322 HydrophobicContact CH2-CG 4.13Å; W318-Q322 HydrophobicContact CZ2-CG 3.77Å; W318-Q322 HydrophobicContact CZ3-CG 4.37Å; W318-Q322 WeakPolarHBondContact O-CG 3.48Å; W318-Q322 PolarHBondContact O-N 2.99Å; A319-Q322 PolarHBondContact O-N 2.68Å; Q322-K324 PolarHBondContact O-N 3.43Å; Q322-F325 PolarHBondContact O-N 3.16Å; Q322-F325 VanDerWaalsContact O-N 3.1Å; Q322-S326 WeakPolarHBondContact O-CB 3.26Å; Q322-S326 PolarHBondContact O-N 3.46Å; Q322-S326 VanDerWaalsContact OE1-CB 3.32Å; Q322-F332 HydrophobicContact CB-CB 4.23Å; Q322-F332 HydrophobicContact CB-CD1 3.28Å; Q322-F332 HydrophobicContact CB-CD2 4.18Å; Q322-F332 HydrophobicContact CB-CE1 3.58Å; Q322-F332 HydrophobicContact CB-CE2 4.42Å; Q322-F332 HydrophobicContact CB-CG 3.63Å; Q322-F332 HydrophobicContact CB-CZ 4.15Å; Q322-F332 HydrophobicContact CG-CD1 4.09Å; Q322-F332 HydrophobicContact CG-CE1 3.99Å |
| 323 | S | 88.1 | Confident | 88.8 | Confident | 44 Ų | 44 | 40.4 Ų | 40.4 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.2 | -17 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 114.2 | A319 L320 I321 | A319-S323 PolarHBondContact O-N 3.36Å; L320-S323 PolarHBondContact O-N 3.22Å; L320-S323 PolarHBondContact O-OG 3Å; I321-S323 VanDerWaalsContact C-N 3.3Å; I321-S323 PolarHBondContact O-N 2.85Å |
| 324 | K | 84.8 | Confident | 88.5 | Confident | 109 Ų | 109 | 41.1 Ų | 41.1 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -97.9 | -29.9 | 174.3 | -92.1 | -71.1 | -175.3 | -173.3 | 0 | 114.7 | F175 I321 Q322 | F175-K324 HydrophobicContact CE1-CG 3.98Å; F175-K324 HydrophobicContact CE2-CG 3.85Å; F175-K324 HydrophobicContact CZ-CB 4.31Å; F175-K324 HydrophobicContact CZ-CG 3.45Å; F175-K324 VanDerWaalsContact CZ-CG 3.45Å; I321-K324 PolarHBondContact O-N 3.12Å; I321-K324 VanDerWaalsContact O-N 3.11Å; Q322-K324 PolarHBondContact O-N 3.43Å |
| 325 | F | 83 | Confident | 88.2 | Confident | 64 Ų | 64 | 41.4 Ų | 41.4 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -118.8 | -23.6 | -165.8 | -65.3 | -64.6 | 0 | 0 | 0 | 114.7 | L83 C174 I321 Q322 | L83-F325 HydrophobicContact CD1-CD2 4.4Å; L83-F325 HydrophobicContact CD1-CG 4.34Å; C174-F325 HydrophobicContact CB-CE2 4.47Å; C174-F325 HydrophobicContact CB-CZ 4.49Å; C174-F325 VanDerWaalsContact SG-CE2 3.54Å; C174-F325 WeakPolarHBondContact SG-CZ 3.48Å; I321-F325 HydrophobicContact CG2-CD2 3.72Å; I321-F325 HydrophobicContact CG2-CE2 4.11Å; I321-F325 VanDerWaalsContact O-CD2 3.29Å; I321-F325 WeakPolarHBondContact O-CD2 3.3Å; I321-F325 PolarHBondContact O-N 2.98Å; Q322-F325 PolarHBondContact O-N 3.16Å; Q322-F325 VanDerWaalsContact O-N 3.1Å |
| 326 | S | 80.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | trans | -68.7 | 141.7 | -179 | -169.3 | 0 | 0 | 0 | 0 | 111 | Q322 I328 F332 | Q322-S326 WeakPolarHBondContact O-CB 3.26Å; Q322-S326 PolarHBondContact O-N 3.46Å; Q322-S326 VanDerWaalsContact OE1-CB 3.32Å; S326-I328 WeakPolarHBondContact OG-CB 3.33Å; S326-I328 WeakPolarHBondContact OG-CD1 3.44Å; S326-I328 PolarHBondContact OG-N 3.01Å; S326-F332 WeakPolarHBondContact OG-CE2 3.4Å; S326-F332 VanDerWaalsContact OG-CZ 3.31Å; S326-F332 WeakPolarHBondContact OG-CZ 3.2Å | ||
| 327 | T | 78.1 | Confident | 87.9 | Confident | 112 Ų | 112 | 43 Ų | 43 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | trans | -101.2 | 3.8 | 169.3 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 328 | I | 77.8 | Confident | 87.9 | Confident | 65 Ų | 65 | 46.7 Ų | 46.7 | 33% | 0.333 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -78.8 | 137.8 | 179.7 | -64.6 | 136.5 | 0 | 0 | 0 | 109.1 | I55 S326 F330 F332 | I55-I328 WeakPolarHBondContact O-CD1 3.26Å; I55-I328 VanDerWaalsContact O-CG1 3.28Å; I55-I328 WeakPolarHBondContact O-CG1 3.34Å; S326-I328 WeakPolarHBondContact OG-CB 3.33Å; S326-I328 WeakPolarHBondContact OG-CD1 3.44Å; S326-I328 PolarHBondContact OG-N 3.01Å; I328-F330 VanDerWaalsContact C-N 3.31Å; I328-F330 HydrophobicContact CG2-CB 4.16Å; I328-F330 PolarHBondContact O-N 2.74Å; I328-F332 HydrophobicContact CB-CE2 4.22Å; I328-F332 HydrophobicContact CB-CZ 4.22Å; I328-F332 HydrophobicContact CG2-CZ 4.46Å |
| 329 | D | 83.5 | Confident | 88 | Confident | 176 Ų | 176 | 46.7 Ų | 46.7 | 94% | 0.941 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -75.6 | 81.7 | 175.5 | -170.6 | 18.9 | 0 | 0 | 0 | 110.5 | ||
| 330 | F | 85.3 | Confident | 88.2 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 19% | 0.193 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -148.1 | 139.9 | 178.3 | 178.6 | -92.4 | 0 | 0 | 0 | 109.7 | L257 I328 F332 Y335 | L257-F330 HydrophobicContact CD1-CE2 4.41Å; L257-F330 HydrophobicContact CD1-CZ 4.08Å; L257-F330 HydrophobicContact CG-CE2 4.31Å; L257-F330 HydrophobicContact CG-CZ 4.47Å; I328-F330 VanDerWaalsContact C-N 3.31Å; I328-F330 HydrophobicContact CG2-CB 4.16Å; I328-F330 PolarHBondContact O-N 2.74Å; F330-F332 HydrophobicContact CB-CD2 4.27Å; F330-F332 HydrophobicContact CB-CE2 3.81Å; F330-F332 HydrophobicContact CB-CZ 3.96Å; F330-F332 HydrophobicContact CD1-CB 4.35Å; F330-F332 AromaticContact CD1-CD1 3.5Å; F330-F332 HydrophobicContact CD1-CD1 3.5Å; F330-F332 AromaticContact CD1-CD2 4Å; F330-F332 HydrophobicContact CD1-CD2 4Å; F330-F332 AromaticContact CD1-CE1 3.62Å; F330-F332 HydrophobicContact CD1-CE1 3.62Å; F330-F332 HydrophobicContact CD1-CE2 4.09Å; F330-F332 AromaticContact CD1-CG 3.7Å; F330-F332 HydrophobicContact CD1-CG 3.7Å; F330-F332 AromaticContact CD1-CZ 3.91Å; F330-F332 HydrophobicContact CD1-CZ 3.91Å; F330-F332 AromaticContact CE1-CD1 3.95Å; F330-F332 HydrophobicContact CE1-CD1 3.95Å; F330-F332 HydrophobicContact CE1-CE1 4.25Å; F330-F332 HydrophobicContact CE1-CG 4.38Å; F330-F332 HydrophobicContact CG-CE1 4.39Å; F330-F332 HydrophobicContact CG-CE2 4.43Å; F330-F332 HydrophobicContact CG-CZ 4.3Å; F330-F332 WeakPolarHBondContact O-CD2 3.43Å; F330-F332 PolarHBondContact O-N 3.36Å; F330-Y335 HydrophobicContact CE1-CD1 4.15Å; F330-Y335 AromaticContact CE1-CG 3.91Å; F330-Y335 HydrophobicContact CE1-CG 3.91Å; F330-Y335 HydrophobicContact CZ-CD1 4.35Å; F330-Y335 HydrophobicContact CZ-CD2 4.16Å; F330-Y335 AromaticContact CZ-CG 3.89Å; F330-Y335 HydrophobicContact CZ-CG 3.89Å |
| 331 | D | 88.9 | Confident | 88.4 | Confident | 110 Ų | 110 | 51 Ų | 51 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | trans | -77.4 | 73.6 | 177.9 | -175.4 | 12.6 | 0 | 0 | 0 | 111.7 | L333 G334 Y335 | D331-L333 PolarHBondContact O-N 3.04Å; D331-L333 PolarHBondContact OD1-N 3.42Å; D331-G334 PolarHBondContact O-N 2.87Å; D331-G334 PolarHBondContact OD1-N 2.91Å; D331-G334 WeakPolarHBondContact OD2-CA 3.38Å; D331-Y335 WeakPolarHBondContact O-CB 3.47Å; D331-Y335 PolarHBondContact O-N 3.16Å | ||
| 332 | F | 89.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -33.6 | 178.7 | -69.8 | -74.6 | 0 | 0 | 0 | 112.7 | W318 A319 Q322 S326 I328 F330 A336 | W318-F332 HydrophobicContact CH2-CD1 4.07Å; W318-F332 AromaticContact CH2-CE1 3.55Å; W318-F332 HydrophobicContact CH2-CE1 3.55Å; W318-F332 HydrophobicContact CZ2-CE1 4.36Å; W318-F332 AromaticContact CZ3-CD1 3.91Å; W318-F332 HydrophobicContact CZ3-CD1 3.91Å; W318-F332 AromaticContact CZ3-CE1 3.88Å; W318-F332 HydrophobicContact CZ3-CE1 3.88Å; A319-F332 WeakPolarHBondContact CB-O 3.49Å; A319-F332 WeakPolarHBondContact O-CB 3.48Å; Q322-F332 HydrophobicContact CB-CB 4.23Å; Q322-F332 HydrophobicContact CB-CD1 3.28Å; Q322-F332 HydrophobicContact CB-CD2 4.18Å; Q322-F332 HydrophobicContact CB-CE1 3.58Å; Q322-F332 HydrophobicContact CB-CE2 4.42Å; Q322-F332 HydrophobicContact CB-CG 3.63Å; Q322-F332 HydrophobicContact CB-CZ 4.15Å; Q322-F332 HydrophobicContact CG-CD1 4.09Å; Q322-F332 HydrophobicContact CG-CE1 3.99Å; S326-F332 WeakPolarHBondContact OG-CE2 3.4Å; S326-F332 VanDerWaalsContact OG-CZ 3.31Å; S326-F332 WeakPolarHBondContact OG-CZ 3.2Å; I328-F332 HydrophobicContact CB-CE2 4.22Å; I328-F332 HydrophobicContact CB-CZ 4.22Å; I328-F332 HydrophobicContact CG2-CZ 4.46Å; F330-F332 HydrophobicContact CB-CD2 4.27Å; F330-F332 HydrophobicContact CB-CE2 3.81Å; F330-F332 HydrophobicContact CB-CZ 3.96Å; F330-F332 HydrophobicContact CD1-CB 4.35Å; F330-F332 AromaticContact CD1-CD1 3.5Å; F330-F332 HydrophobicContact CD1-CD1 3.5Å; F330-F332 AromaticContact CD1-CD2 4Å; F330-F332 HydrophobicContact CD1-CD2 4Å; F330-F332 AromaticContact CD1-CE1 3.62Å; F330-F332 HydrophobicContact CD1-CE1 3.62Å; F330-F332 HydrophobicContact CD1-CE2 4.09Å; F330-F332 AromaticContact CD1-CG 3.7Å; F330-F332 HydrophobicContact CD1-CG 3.7Å; F330-F332 AromaticContact CD1-CZ 3.91Å; F330-F332 HydrophobicContact CD1-CZ 3.91Å; F330-F332 AromaticContact CE1-CD1 3.95Å; F330-F332 HydrophobicContact CE1-CD1 3.95Å; F330-F332 HydrophobicContact CE1-CE1 4.25Å; F330-F332 HydrophobicContact CE1-CG 4.38Å; F330-F332 HydrophobicContact CG-CE1 4.39Å; F330-F332 HydrophobicContact CG-CE2 4.43Å; F330-F332 HydrophobicContact CG-CZ 4.3Å; F330-F332 WeakPolarHBondContact O-CD2 3.43Å; F330-F332 PolarHBondContact O-N 3.36Å; F332-A336 WeakPolarHBondContact O-CB 3.41Å; F332-A336 PolarHBondContact O-N 3.17Å |
| 333 | L | 89.9 | Confident | 89.3 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.9 | -45.7 | 180 | -179.9 | 63.2 | 0 | 0 | 0 | 110.9 | L183 V185 L320 D331 Y335 A336 K337 | L183-L333 HydrophobicContact CD2-CD1 3.96Å; L183-L333 HydrophobicContact CD2-CD2 3.47Å; L183-L333 VanDerWaalsContact CD2-CD2 3.47Å; L183-L333 HydrophobicContact CD2-CG 4.36Å; V185-L333 HydrophobicContact CG1-CD1 4.47Å; L320-L333 HydrophobicContact CD2-CD1 4.02Å; D331-L333 PolarHBondContact O-N 3.04Å; D331-L333 PolarHBondContact OD1-N 3.42Å; L333-Y335 VanDerWaalsContact C-N 3.3Å; L333-Y335 PolarHBondContact O-N 3.36Å; L333-A336 WeakPolarHBondContact O-CB 3.33Å; L333-A336 PolarHBondContact O-N 2.86Å; L333-K337 WeakPolarHBondContact O-CG 3.24Å; L333-K337 PolarHBondContact O-N 3.38Å |
| 334 | G | 91.3 | Very high | 89.7 | Confident | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | D331 A336 K337 L338 | D331-G334 PolarHBondContact O-N 2.87Å; D331-G334 PolarHBondContact OD1-N 2.91Å; D331-G334 WeakPolarHBondContact OD2-CA 3.38Å; G334-A336 PolarHBondContact O-N 3.1Å; G334-K337 WeakPolarHBondContact O-CB 3.43Å; G334-K337 PolarHBondContact O-N 3.35Å; G334-L338 WeakPolarHBondContact O-CG 3.42Å; G334-L338 PolarHBondContact O-N 3.11Å |
| 335 | Y | 92.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.1 | -172.1 | -116.6 | 0 | 0 | 0 | 112.6 | L257 V260 W318 A319 F330 D331 L333 K337 L338 R339 | L257-Y335 HydrophobicContact CD1-CD2 4.32Å; L257-Y335 HydrophobicContact CD1-CE1 4.24Å; L257-Y335 HydrophobicContact CD1-CE2 3.67Å; V260-Y335 HydrophobicContact CG2-CD2 4.43Å; V260-Y335 HydrophobicContact CG2-CE2 4.28Å; W318-Y335 HydrophobicContact CZ3-CD1 4.39Å; W318-Y335 HydrophobicContact CZ3-CE1 4.36Å; A319-Y335 HydrophobicContact CB-CD1 3.79Å; F330-Y335 HydrophobicContact CE1-CD1 4.15Å; F330-Y335 AromaticContact CE1-CG 3.91Å; F330-Y335 HydrophobicContact CE1-CG 3.91Å; F330-Y335 HydrophobicContact CZ-CD1 4.35Å; F330-Y335 HydrophobicContact CZ-CD2 4.16Å; F330-Y335 AromaticContact CZ-CG 3.89Å; F330-Y335 HydrophobicContact CZ-CG 3.89Å; D331-Y335 WeakPolarHBondContact O-CB 3.47Å; D331-Y335 PolarHBondContact O-N 3.16Å; L333-Y335 VanDerWaalsContact C-N 3.3Å; L333-Y335 PolarHBondContact O-N 3.36Å; Y335-K337 VanDerWaalsContact C-N 3.33Å; Y335-K337 PolarHBondContact O-N 2.92Å; Y335-L338 PolarHBondContact O-N 2.84Å; Y335-R339 HydrophobicContact CD1-CG 4.34Å; Y335-R339 HydrophobicContact CE1-CG 4.02Å; Y335-R339 HydrophobicContact CE2-CG 4.18Å; Y335-R339 WeakPolarHBondContact O-CG 3.24Å; Y335-R339 PolarHBondContact O-N 2.75Å; Y335-R339 PolarHBondContact OH-NH1 3.33Å |
| 336 | A | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A319 L320 F332 L333 G334 R339 F340 | A319-A336 HydrophobicContact CB-CB 3.77Å; L320-A336 HydrophobicContact CD2-CB 3.85Å; L320-A336 HydrophobicContact CG-CB 3.87Å; F332-A336 WeakPolarHBondContact O-CB 3.41Å; F332-A336 PolarHBondContact O-N 3.17Å; L333-A336 WeakPolarHBondContact O-CB 3.33Å; L333-A336 PolarHBondContact O-N 2.86Å; G334-A336 PolarHBondContact O-N 3.1Å; A336-R339 PolarHBondContact O-N 2.86Å; A336-F340 HydrophobicContact CB-CE2 4.46Å; A336-F340 WeakPolarHBondContact O-CD2 3.49Å; A336-F340 PolarHBondContact O-N 2.92Å |
| 337 | K | 92.4 | Very high | 91.7 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 175.4 | -67.7 | 174.2 | 178.9 | -166.2 | 0 | 111.2 | L183 E184 V185 L333 G334 Y335 R339 F340 N341 | L183-K337 WeakPolarHBondContact O-CE 3.29Å; E184-K337 HydrophobicContact CB-CD 4.23Å; E184-K337 IonicContact OE2-NZ 3.76Å; E184-K337 PolarHBondContact OE2-NZ 3.3Å; V185-K337 HydrophobicContact CG1-CB 4.46Å; V185-K337 HydrophobicContact CG1-CG 3.62Å; L333-K337 WeakPolarHBondContact O-CG 3.24Å; L333-K337 PolarHBondContact O-N 3.38Å; G334-K337 WeakPolarHBondContact O-CB 3.43Å; G334-K337 PolarHBondContact O-N 3.35Å; Y335-K337 VanDerWaalsContact C-N 3.33Å; Y335-K337 PolarHBondContact O-N 2.92Å; K337-R339 VanDerWaalsContact C-N 3.34Å; K337-R339 PolarHBondContact O-N 3Å; K337-F340 PolarHBondContact O-N 3.1Å; K337-N341 VanDerWaalsContact O-CB 3.3Å; K337-N341 WeakPolarHBondContact O-CB 3.12Å; K337-N341 PolarHBondContact O-N 3.46Å; K337-N341 PolarHBondContact O-ND2 2.99Å |
| 338 | L | 94.4 | Very high | 92.6 | Very high | 76 Ų | 76 | 52 Ų | 52 | 40% | 0.398 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 179.5 | -72.5 | 171.8 | 0 | 0 | 0 | 112 | V260 Y262 G334 Y335 Q342 | V260-L338 HydrophobicContact CB-CD1 4.22Å; V260-L338 HydrophobicContact CG2-CD1 4.11Å; Y262-L338 PolarHBondContact OH-O 2.79Å; G334-L338 WeakPolarHBondContact O-CG 3.42Å; G334-L338 PolarHBondContact O-N 3.11Å; Y335-L338 PolarHBondContact O-N 2.84Å; L338-Q342 WeakPolarHBondContact O-CB 3.36Å; L338-Q342 PolarHBondContact O-N 3.01Å; L338-Q342 VanDerWaalsContact O-N 3.08Å |
| 339 | R | 96.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 55 Ų | 55 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 179.5 | -62.4 | -67.1 | -71.7 | -139.9 | 10.6 | 111.7 | E253 S311 H312 W315 Y335 A336 K337 Y343 | E253-R339 IonicContact OE1-NH1 3.36Å; E253-R339 PolarHBondContact OE1-NH1 2.77Å; S311-R339 PolarHBondContact O-NH2 3.39Å; S311-R339 PolarHBondContact OG-NH2 2.91Å; H312-R339 PolarHBondContact ND1-NE 3.23Å; W315-R339 HydrophobicContact CB-CG 4.49Å; Y335-R339 HydrophobicContact CD1-CG 4.34Å; Y335-R339 HydrophobicContact CE1-CG 4.02Å; Y335-R339 HydrophobicContact CE2-CG 4.18Å; Y335-R339 WeakPolarHBondContact O-CG 3.24Å; Y335-R339 PolarHBondContact O-N 2.75Å; Y335-R339 PolarHBondContact OH-NH1 3.33Å; A336-R339 PolarHBondContact O-N 2.86Å; K337-R339 VanDerWaalsContact C-N 3.34Å; K337-R339 PolarHBondContact O-N 3Å; R339-Y343 WeakPolarHBondContact O-CB 3.37Å; R339-Y343 PolarHBondContact O-N 3.27Å |
| 340 | F | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.2 | -72 | -55.8 | 0 | 0 | 0 | 112.8 | V185 P186 L191 F313 L317 L320 A336 K337 Q342 Y343 F344 | V185-F340 HydrophobicContact CB-CD2 4.46Å; V185-F340 HydrophobicContact CG1-CD2 4.3Å; P186-F340 HydrophobicContact CG-CB 4.11Å; P186-F340 HydrophobicContact CG-CD1 4.36Å; P186-F340 HydrophobicContact CG-CG 4.09Å; L191-F340 HydrophobicContact CD2-CD1 4.03Å; L191-F340 HydrophobicContact CD2-CE1 3.47Å; L191-F340 VanDerWaalsContact CD2-CE1 3.47Å; L191-F340 HydrophobicContact CD2-CE2 4.46Å; L191-F340 HydrophobicContact CD2-CZ 3.72Å; F313-F340 HydrophobicContact CD2-CD1 4.19Å; F313-F340 AromaticContact CD2-CE1 3.78Å; F313-F340 HydrophobicContact CD2-CE1 3.78Å; F313-F340 HydrophobicContact CE2-CD1 4.46Å; F313-F340 AromaticContact CE2-CE1 3.89Å; F313-F340 HydrophobicContact CE2-CE1 3.89Å; F313-F340 HydrophobicContact CG-CE1 4.46Å; L317-F340 HydrophobicContact CD2-CZ 4.07Å; L317-F340 HydrophobicContact CG-CZ 4.33Å; L320-F340 HydrophobicContact CD1-CE2 3.6Å; L320-F340 HydrophobicContact CD1-CZ 4.06Å; L320-F340 HydrophobicContact CG-CE2 4.01Å; A336-F340 HydrophobicContact CB-CE2 4.46Å; A336-F340 WeakPolarHBondContact O-CD2 3.49Å; A336-F340 PolarHBondContact O-N 2.92Å; K337-F340 PolarHBondContact O-N 3.1Å; F340-Q342 VanDerWaalsContact C-N 3.31Å; F340-Q342 PolarHBondContact O-N 3.39Å; F340-Y343 WeakPolarHBondContact O-CB 3.48Å; F340-Y343 PolarHBondContact O-N 2.87Å; F340-F344 WeakPolarHBondContact O-CD2 3.39Å; F340-F344 PolarHBondContact O-N 3.36Å |
| 341 | N | 94.9 | Very high | 94.1 | Very high | 95 Ų | 95 | 47 Ų | 47 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 177.5 | -73.9 | -12.6 | 0 | 0 | 0 | 111.1 | K337 F344 K345 | K337-N341 VanDerWaalsContact O-CB 3.3Å; K337-N341 WeakPolarHBondContact O-CB 3.12Å; K337-N341 PolarHBondContact O-N 3.46Å; K337-N341 PolarHBondContact O-ND2 2.99Å; N341-F344 PolarHBondContact O-N 3.43Å; N341-K345 VanDerWaalsContact O-CB 3.29Å; N341-K345 WeakPolarHBondContact O-CB 3.43Å; N341-K345 PolarHBondContact O-N 2.99Å |
| 342 | Q | 96.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.075 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 176.2 | -171.3 | 64.4 | 6.6 | 0 | 0 | 112.1 | Y262 H312 L338 F340 F344 K345 M346 | Y262-Q342 HydrophobicContact CD1-CG 3.8Å; Y262-Q342 HydrophobicContact CD2-CB 4.09Å; Y262-Q342 HydrophobicContact CD2-CG 3.91Å; Y262-Q342 HydrophobicContact CE1-CB 4.15Å; Y262-Q342 HydrophobicContact CE1-CG 3.71Å; Y262-Q342 HydrophobicContact CE2-CB 3.55Å; Y262-Q342 HydrophobicContact CE2-CG 3.79Å; Y262-Q342 HydrophobicContact CG-CG 3.9Å; H312-Q342 WeakPolarHBondContact NE2-CG 2.97Å; L338-Q342 WeakPolarHBondContact O-CB 3.36Å; L338-Q342 PolarHBondContact O-N 3.01Å; L338-Q342 VanDerWaalsContact O-N 3.08Å; F340-Q342 VanDerWaalsContact C-N 3.31Å; F340-Q342 PolarHBondContact O-N 3.39Å; Q342-F344 PolarHBondContact O-N 3.36Å; Q342-K345 PolarHBondContact O-N 3.36Å; Q342-M346 HydrophobicContact CG-CG 4.2Å; Q342-M346 VanDerWaalsContact NE2-CG 3.3Å; Q342-M346 WeakPolarHBondContact O-CB 3.42Å; Q342-M346 VanDerWaalsContact O-CG 3.32Å; Q342-M346 WeakPolarHBondContact O-CG 3.27Å; Q342-M346 PolarHBondContact O-N 3.38Å |
| 343 | Y | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.2 | -54.1 | 172.4 | 169.9 | -93.5 | 0 | 0 | 0 | 112.2 | E194 L198 L309 F313 R339 F340 K345 M346 K347 | E194-Y343 HydrophobicContact CB-CE1 4.33Å; E194-Y343 HydrophobicContact CG-CE1 4.11Å; E194-Y343 VanDerWaalsContact OE2-CE1 3.26Å; E194-Y343 WeakPolarHBondContact OE2-CE1 3.37Å; E194-Y343 VanDerWaalsContact OE2-CZ 3.31Å; E194-Y343 PolarHBondContact OE2-OH 3.13Å; L198-Y343 HydrophobicContact CD1-CE2 3.87Å; L198-Y343 HydrophobicContact CD2-CE2 3.99Å; L198-Y343 HydrophobicContact CG-CE2 4.19Å; L309-Y343 HydrophobicContact CB-CD2 3.87Å; L309-Y343 HydrophobicContact CB-CE2 3.82Å; L309-Y343 HydrophobicContact CD2-CD2 4.15Å; L309-Y343 VanDerWaalsContact O-CD2 3.3Å; L309-Y343 WeakPolarHBondContact O-CD2 3.17Å; F313-Y343 HydrophobicContact CB-CD2 4.14Å; F313-Y343 HydrophobicContact CB-CE2 4.23Å; F313-Y343 HydrophobicContact CD2-CE1 4.42Å; F313-Y343 HydrophobicContact CD2-CE2 4.4Å; R339-Y343 WeakPolarHBondContact O-CB 3.37Å; R339-Y343 PolarHBondContact O-N 3.27Å; F340-Y343 WeakPolarHBondContact O-CB 3.48Å; F340-Y343 PolarHBondContact O-N 2.87Å; Y343-K345 PolarHBondContact O-N 2.92Å; Y343-M346 PolarHBondContact O-N 3Å; Y343-K347 HydrophobicContact CE1-CD 4.22Å; Y343-K347 WeakPolarHBondContact O-CB 3.49Å; Y343-K347 PolarHBondContact O-N 3.23Å |
| 344 | F | 96.5 | Very high | 94.9 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 30% | 0.303 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.2 | -33.7 | -177.9 | -75.4 | -73.1 | 0 | 0 | 0 | 112.8 | P186 E194 F340 N341 Q342 P348 | P186-F344 HydrophobicContact CB-CE2 4.23Å; P186-F344 HydrophobicContact CB-CZ 4.43Å; P186-F344 HydrophobicContact CG-CD2 4.38Å; P186-F344 HydrophobicContact CG-CE2 3.45Å; P186-F344 VanDerWaalsContact CG-CE2 3.45Å; P186-F344 HydrophobicContact CG-CZ 4.11Å; E194-F344 HydrophobicContact CG-CE1 3.84Å; E194-F344 HydrophobicContact CG-CZ 3.75Å; F340-F344 WeakPolarHBondContact O-CD2 3.39Å; F340-F344 PolarHBondContact O-N 3.36Å; N341-F344 PolarHBondContact O-N 3.43Å; Q342-F344 PolarHBondContact O-N 3.36Å; F344-P348 WeakPolarHBondContact O-CD 3.46Å |
| 345 | K | 96.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 53.3 Ų | 53.3 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 174.5 | -179.8 | -176.6 | 172.9 | -172.9 | 0 | 111.7 | N341 Q342 Y343 P348 | N341-K345 VanDerWaalsContact O-CB 3.29Å; N341-K345 WeakPolarHBondContact O-CB 3.43Å; N341-K345 PolarHBondContact O-N 2.99Å; Q342-K345 PolarHBondContact O-N 3.36Å; Y343-K345 PolarHBondContact O-N 2.92Å; K345-P348 WeakPolarHBondContact O-CD 3.44Å |
| 346 | M | 96.7 | Very high | 95.1 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 20% | 0.197 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -85.3 | -18.8 | -174.5 | -61.5 | -52.3 | -61.3 | 0 | 0 | 113.6 | L309 Q342 Y343 E349 T350 | L309-M346 HydrophobicContact CD2-CB 3.81Å; Q342-M346 HydrophobicContact CG-CG 4.2Å; Q342-M346 VanDerWaalsContact NE2-CG 3.3Å; Q342-M346 WeakPolarHBondContact O-CB 3.42Å; Q342-M346 VanDerWaalsContact O-CG 3.32Å; Q342-M346 WeakPolarHBondContact O-CG 3.27Å; Q342-M346 PolarHBondContact O-N 3.38Å; Y343-M346 PolarHBondContact O-N 3Å; M346-E349 WeakPolarHBondContact CE-OE2 3.13Å; M346-E349 PolarHBondContact O-N 3.39Å; M346-T350 VanDerWaalsContact O-CB 3.31Å; M346-T350 WeakPolarHBondContact O-CB 3.13Å; M346-T350 PolarHBondContact O-N 2.82Å; M346-T350 PolarHBondContact O-OG1 2.98Å |
| 347 | K | 97.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 16% | 0.157 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -53.5 | -47.4 | -176.7 | 179.6 | 179.1 | 177.4 | -179.8 | 0 | 113.6 | E194 W197 L309 Y343 T350 A351 | E194-K347 IonicContact OE1-NZ 2.77Å; E194-K347 PolarHBondContact OE1-NZ 2.97Å; E194-K347 IonicContact OE2-NZ 3.51Å; E194-K347 PolarHBondContact OE2-NZ 3.31Å; W197-K347 HydrophobicContact CE3-CD 4.47Å; W197-K347 HydrophobicContact CH2-CD 4.41Å; W197-K347 HydrophobicContact CH2-CG 4.04Å; W197-K347 HydrophobicContact CZ3-CD 4.23Å; W197-K347 HydrophobicContact CZ3-CG 4.2Å; L309-K347 HydrophobicContact CD1-CB 4.37Å; L309-K347 HydrophobicContact CD1-CG 4.49Å; Y343-K347 HydrophobicContact CE1-CD 4.22Å; Y343-K347 WeakPolarHBondContact O-CB 3.49Å; Y343-K347 PolarHBondContact O-N 3.23Å; K347-T350 PolarHBondContact O-N 3.46Å; K347-A351 WeakPolarHBondContact O-CB 3.39Å; K347-A351 PolarHBondContact O-N 3Å |
| 348 | P | 97.3 | Very high | 94.5 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.7 | -47.5 | -179.4 | -23.7 | 34.8 | 0 | 0 | 0 | 113.2 | F344 K345 A351 A352 | F344-P348 WeakPolarHBondContact O-CD 3.46Å; K345-P348 WeakPolarHBondContact O-CD 3.44Å; P348-A351 PolarHBondContact O-N 3.29Å; P348-A352 PolarHBondContact O-N 3.24Å; P348-A352 VanDerWaalsContact O-N 3.15Å |
| 349 | E | 94 | Very high | 94.6 | Very high | 128 Ų | 128 | 68.4 Ų | 68.4 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.9 | -47.3 | 179 | -179.9 | -179.9 | -179.9 | 0 | 0 | 111.1 | M346 A351 A352 | M346-E349 WeakPolarHBondContact CE-OE2 3.13Å; M346-E349 PolarHBondContact O-N 3.39Å; E349-A351 PolarHBondContact O-N 3.2Å; E349-A352 WeakPolarHBondContact O-CB 3.48Å; E349-A352 PolarHBondContact O-N 3.48Å |
| 350 | T | 92.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70.9 | -33.5 | -178 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | N305 K306 L309 M346 K347 A352 L353 | N305-T350 VanDerWaalsContact O-CG2 3.3Å; N305-T350 WeakPolarHBondContact O-CG2 3.49Å; K306-T350 HydrophobicContact CB-CG2 4.1Å; K306-T350 HydrophobicContact CG-CG2 3.69Å; K306-T350 PolarHBondContact NZ-O 3.48Å; L309-T350 HydrophobicContact CD1-CG2 3.59Å; L309-T350 HydrophobicContact CG-CG2 3.88Å; M346-T350 VanDerWaalsContact O-CB 3.31Å; M346-T350 WeakPolarHBondContact O-CB 3.13Å; M346-T350 PolarHBondContact O-N 2.82Å; M346-T350 PolarHBondContact O-OG1 2.98Å; K347-T350 PolarHBondContact O-N 3.46Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 2.75Å; T350-L353 WeakPolarHBondContact O-CB 3.41Å; T350-L353 PolarHBondContact O-N 3Å |
| 351 | A | 92 | Very high | 94.4 | Very high | 44 Ų | 44 | 76.1 Ų | 76.1 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W197 K306 K347 P348 E349 L353 | W197-A351 HydrophobicContact CH2-CB 4.4Å; W197-A351 HydrophobicContact CZ2-CB 4.2Å; K306-A351 PolarHBondContact NZ-O 3.18Å; K306-A351 VanDerWaalsContact NZ-O 3.1Å; K347-A351 WeakPolarHBondContact O-CB 3.39Å; K347-A351 PolarHBondContact O-N 3Å; P348-A351 PolarHBondContact O-N 3.29Å; E349-A351 PolarHBondContact O-N 3.2Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 3.13Å |
| 352 | A | 95.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -70.7 | -17.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P348 E349 T350 T354 | P348-A352 PolarHBondContact O-N 3.24Å; P348-A352 VanDerWaalsContact O-N 3.15Å; E349-A352 WeakPolarHBondContact O-CB 3.48Å; E349-A352 PolarHBondContact O-N 3.48Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 2.75Å; A352-T354 PolarHBondContact O-N 3.18Å |
| 353 | L | 95.8 | Very high | 94.2 | Very high | 44 Ų | 44 | 78.8 Ų | 78.8 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | trans | -63.1 | 129.4 | 174 | -63.3 | 175.8 | 0 | 0 | 0 | 110.9 | Y301 V302 N305 K306 T350 A351 | Y301-L353 HydrophobicContact CE1-CD1 4.35Å; Y301-L353 HydrophobicContact CE1-CD2 4.18Å; V302-L353 HydrophobicContact CG1-CB 4.1Å; V302-L353 HydrophobicContact CG2-CB 4.42Å; N305-L353 HydrophobicContact CB-CD1 3.78Å; K306-L353 WeakPolarHBondContact CE-O 3.46Å; K306-L353 PolarHBondContact NZ-O 2.79Å; T350-L353 WeakPolarHBondContact O-CB 3.41Å; T350-L353 PolarHBondContact O-N 3Å; A351-L353 VanDerWaalsContact C-N 3.27Å; A351-L353 PolarHBondContact O-N 3.13Å | ||
| 354 | T | 95.3 | Very high | 94 | Very high | 116 Ų | 116 | 84.4 Ų | 84.4 | 71% | 0.712 | 46% | 0.456 | S | S | * | . | trans | -113.6 | 145.5 | 175.8 | 54.5 | 0 | 0 | 0 | 0 | 110 | V302 A352 | V302-T354 VanDerWaalsContact CG2-O 3.32Å; V302-T354 WeakPolarHBondContact CG2-O 3.37Å; A352-T354 PolarHBondContact O-N 3.18Å | ||
| 355 | L | 95.1 | Very high | 93.8 | Very high | 73 Ų | 73 | 85.6 Ų | 85.6 | 38% | 0.382 | 47% | 0.467 | S | S | . | . | trans | -61.1 | 144 | 168.8 | -68.3 | 170.7 | 0 | 0 | 0 | 108.9 | L205 I299 V302 | L205-L355 HydrophobicContact CD2-CD1 4.5Å; I299-L355 HydrophobicContact CG2-CD2 4.16Å; V302-L355 HydrophobicContact CB-CD2 4.06Å; V302-L355 HydrophobicContact CG1-CD2 3.92Å; V302-L355 HydrophobicContact CG1-CG 4.33Å | ||
| 356 | P | 92.6 | Very high | 93.6 | Very high | 50 Ų | 50 | 80.5 Ų | 80.5 | 33% | 0.325 | 45% | 0.453 | S | S | . | . | trans | -61.6 | 151.5 | 171.7 | 28.3 | -34.3 | 0 | 0 | 0 | 110.4 | T295 E298 I299 | T295-P356 HydrophobicContact CG2-CB 4.46Å; T295-P356 HydrophobicContact CG2-CG 4Å; E298-P356 HydrophobicContact CB-CG 4.21Å; I299-P356 HydrophobicContact CD1-CG 4.41Å; I299-P356 HydrophobicContact CG1-CG 3.59Å | ||
| 357 | E | 78.6 | Confident | 93.3 | Very high | 263 Ų | 263 | 84.2 Ų | 84.2 | 100% | 1.229 | 48% | 0.476 | S | S | * | . | trans | -64.7 | 0 | 177.8 | -68.2 | -174.8 | 171.1 | 0 | 0 | 113.5 |
Retrieved 357 of 357 residues in 962.2 ms
(Link to these results)