| 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 | 33.8 | Very low | 61.1 | Low | 251 Ų | 251 | 128.2 Ų | 128.2 | 100% | 1.236 | 65% | 0.649 | S | S | * | * | 0 | 114.5 | 0 | -90.6 | 87.2 | 164.9 | 0 | 0 | 109 | |||||
| 2 | G | 33.4 | Very low | 63.8 | Low | 76 Ų | 76 | 117.6 Ų | 117.6 | 78% | 0.784 | 60% | 0.595 | S | S | * | * | trans | 164.2 | 115.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | K | 36.3 | Very low | 66.2 | Low | 200 Ų | 200 | 110.2 Ų | 110.2 | 87% | 0.87 | 56% | 0.558 | S | S | * | * | trans | 73.4 | 81.1 | 166.3 | -63.9 | -178.5 | 176.6 | 177.2 | 0 | 118.9 | ||||
| 4 | I | 46.4 | Very low | 68.3 | Low | 169 Ų | 169 | 102.4 Ų | 102.4 | 87% | 0.867 | 52% | 0.518 | S | S | * | . | trans | -117.5 | 2.5 | 156.9 | -61.9 | 177.7 | 0 | 0 | 0 | 111.9 | N6 | I4-N6 PolarHBondContact O-N 3.01Š| ||
| 5 | E | 51.8 | Low | 69.9 | Low | 189 Ų | 189 | 97.9 Ų | 97.9 | 88% | 0.883 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 1.9 | -172 | -78.7 | -178.6 | 142.1 | 0 | 0 | 117.1 | ||
| 6 | N | 56 | Low | 71.2 | Confident | 115 Ų | 115 | 95.1 Ų | 95.1 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.7 | -166.9 | -90.7 | -1.7 | 0 | 0 | 0 | 117.5 | I4 S24 | I4-N6 PolarHBondContact O-N 3.01Å; N6-S24 VanDerWaalsContact O-CB 3.27Å; N6-S24 WeakPolarHBondContact O-CB 3.49Å; N6-S24 PolarHBondContact O-OG 2.93Å; N6-S24 VanDerWaalsContact O-OG 3.06Å |
| 7 | N | 65.3 | Low | 72.5 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | trans | -130.5 | 33.8 | -172.4 | -94 | 2 | 0 | 0 | 0 | 115 | R9 Y22 | N7-R9 PolarHBondContact O-N 2.93Å; N7-Y22 HydrophobicContact CB-CD1 4.15Å; N7-Y22 HydrophobicContact CB-CE1 4.36Å | ||
| 8 | E | 81.8 | Confident | 73.7 | Confident | 94 Ų | 94 | 97.4 Ų | 97.4 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | trans | -63.5 | 124.5 | 169.3 | -166.8 | -177.4 | -176.2 | 0 | 0 | 110.3 | Y22 R23 | E8-Y22 WeakPolarHBondContact O-CA 3.31Å; E8-R23 HydrophobicContact CB-CB 4.5Å; E8-R23 PolarHBondContact O-N 3.41Å | ||
| 9 | R | 87 | Confident | 74.8 | Confident | 157 Ų | 157 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 135 | 175.7 | -78.6 | -174.4 | -85.8 | -161.3 | -5.7 | 110.1 | N7 T21 Y22 | N7-R9 PolarHBondContact O-N 2.93Å; R9-T21 WeakPolarHBondContact CA-O 3.19Å; R9-Y22 HydrophobicContact CG-CD1 3.87Å; R9-Y22 HydrophobicContact CG-CE1 3.52Å |
| 10 | V | 89 | Confident | 75.6 | Confident | 11 Ų | 11 | 94.9 Ų | 94.9 | 7% | 0.067 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.6 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | L12 T21 R23 F102 | V10-L12 HydrophobicContact CG1-CD2 3.93Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-T21 PolarHBondContact N-O 3.34Å; V10-T21 PolarHBondContact O-N 2.7Å; V10-R23 HydrophobicContact CG2-CB 4.28Å; V10-F102 HydrophobicContact CG1-CD2 3.7Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å |
| 11 | I | 91.7 | Very high | 76.4 | Confident | 40 Ų | 40 | 90.7 Ų | 90.7 | 21% | 0.205 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.8 | 176.6 | -53.8 | 178.2 | 0 | 0 | 0 | 108.3 | R18 E20 R100 E101 F102 | I11-R18 HydrophobicContact CG2-CB 4.44Å; I11-R18 HydrophobicContact CG2-CG 4.42Å; I11-E20 HydrophobicContact CG1-CG 4.42Å; I11-R100 PolarHBondContact N-O 2.95Å; I11-E101 HydrophobicContact CB-CB 4.11Å; I11-E101 HydrophobicContact CB-CG 4.16Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.84Å; I11-E101 CarbonylContact O-C 3.45Å; I11-E101 VanDerWaalsContact O-CA 3.27Å; I11-E101 WeakPolarHBondContact O-CA 3.37Å; I11-F102 PolarHBondContact O-N 2.74Å |
| 12 | L | 93.5 | Very high | 79.1 | Confident | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 111.6 | 177.5 | -55.6 | 175.5 | 0 | 0 | 0 | 108.3 | V10 H19 T21 L26 L34 F102 F104 F111 | V10-L12 HydrophobicContact CG1-CD2 3.93Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; L12-H19 HydrophobicContact CB-CB 4.44Å; L12-H19 PolarHBondContact N-O 3.43Å; L12-H19 PolarHBondContact O-N 3.45Å; L12-T21 HydrophobicContact CD1-CG2 4.11Å; L12-L26 HydrophobicContact CD1-CD1 4.3Å; L12-L26 HydrophobicContact CD1-CD2 4.35Å; L12-L34 HydrophobicContact CD1-CD1 4.25Å; L12-L34 HydrophobicContact CD1-CD2 4.17Å; L12-F102 CarbonylContact C-O 3.52Å; L12-F102 HydrophobicContact CD2-CB 3.96Å; L12-F102 HydrophobicContact CD2-CD2 3.92Å; L12-F102 HydrophobicContact CD2-CG 4.3Å; L12-F104 HydrophobicContact CD2-CE2 4.21Å; L12-F111 HydrophobicContact CB-CE1 4.19Å; L12-F111 HydrophobicContact CB-CZ 4.16Å; L12-F111 HydrophobicContact CD1-CE1 4.27Å; L12-F111 HydrophobicContact CD1-CZ 3.67Å |
| 13 | N | 94.5 | Very high | 81.8 | Confident | 22 Ų | 22 | 82 Ų | 82 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 103.2 | 178.9 | -173.1 | -22.9 | 0 | 0 | 0 | 109.4 | G16 T17 R18 E101 F102 F103 F104 | N13-G16 VanDerWaalsContact OD1-C 3.23Å; N13-G16 WeakPolarHBondContact OD1-CA 3.46Å; N13-G16 PolarHBondContact OD1-N 3.5Å; N13-T17 CarbonylContact C-O 3.51Å; N13-T17 WeakPolarHBondContact CA-O 3.38Å; N13-R18 HydrophobicContact CB-CG 4.46Å; N13-E101 HydrophobicContact CB-CG 4.16Å; N13-E101 WeakPolarHBondContact CB-OE1 3.34Å; N13-E101 PolarHBondContact ND2-OE1 2.8Å; N13-F102 PolarHBondContact N-O 2.79Å; N13-F103 HydrophobicContact CB-CD2 4.1Å; N13-F103 CarbonylContact O-C 3.51Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.45Å; N13-F103 WeakPolarHBondContact O-CD2 2.94Å; N13-F104 PolarHBondContact O-N 2.96Å |
| 14 | V | 95.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.3 | -176.2 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | G16 T17 F104 R106 P108 F111 W141 | V14-G16 PolarHBondContact O-N 3.08Å; V14-G16 VanDerWaalsContact O-N 3.11Å; V14-T17 PolarHBondContact N-O 3.2Å; V14-T17 WeakPolarHBondContact O-CB 3.36Å; V14-T17 PolarHBondContact O-N 2.79Å; V14-F104 CarbonylContact C-O 3.53Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.44Å; V14-F104 HydrophobicContact CG1-CB 4.38Å; V14-F104 HydrophobicContact CG2-CB 4.22Å; V14-F104 HydrophobicContact CG2-CD2 4.05Å; V14-R106 HydrophobicContact CG1-CB 3.91Å; V14-P108 WeakPolarHBondContact O-CB 3.27Å; V14-F111 HydrophobicContact CB-CB 4.19Å; V14-F111 HydrophobicContact CB-CD1 3.99Å; V14-F111 HydrophobicContact CB-CG 4Å; V14-F111 HydrophobicContact CG1-CB 3.83Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CD2 4.43Å; V14-F111 HydrophobicContact CG1-CG 3.99Å; V14-F111 HydrophobicContact CG2-CB 4.32Å; V14-F111 HydrophobicContact CG2-CD1 3.46Å; V14-F111 VanDerWaalsContact CG2-CD1 3.46Å; V14-F111 HydrophobicContact CG2-CD2 3.88Å; V14-F111 HydrophobicContact CG2-CE1 3.61Å; V14-F111 HydrophobicContact CG2-CE2 4Å; V14-F111 HydrophobicContact CG2-CG 3.59Å; V14-F111 HydrophobicContact CG2-CZ 3.88Å; V14-W141 HydrophobicContact CG1-CZ2 4.41Å; V14-W141 HydrophobicContact CG2-CH2 4.37Å |
| 15 | G | 92.2 | Very high | 86.5 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 28 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F104 R106 | G15-F104 PolarHBondContact N-O 3.03Å; G15-R106 WeakPolarHBondContact CA-O 3.38Å; G15-R106 PolarHBondContact N-O 3.01Å |
| 16 | G | 90.8 | Very high | 88.5 | Confident | 54 Ų | 54 | 59 Ų | 59 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | -5.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N13 V14 | N13-G16 VanDerWaalsContact OD1-C 3.23Å; N13-G16 WeakPolarHBondContact OD1-CA 3.46Å; N13-G16 PolarHBondContact OD1-N 3.5Å; V14-G16 PolarHBondContact O-N 3.08Å; V14-G16 VanDerWaalsContact O-N 3.11Å |
| 17 | T | 94.3 | Very high | 90.1 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | N13 V14 H19 P108 | N13-T17 CarbonylContact C-O 3.51Å; N13-T17 WeakPolarHBondContact CA-O 3.38Å; V14-T17 PolarHBondContact N-O 3.2Å; V14-T17 WeakPolarHBondContact O-CB 3.36Å; V14-T17 PolarHBondContact O-N 2.79Å; T17-H19 PolarHBondContact O-CD2 2.83Å; T17-H19 VanDerWaalsContact O-CD2 3.3Å; T17-P108 WeakPolarHBondContact OG1-CB 3.31Å |
| 18 | R | 94.3 | Very high | 91.4 | Very high | 169 Ų | 169 | 56.9 Ų | 56.9 | 64% | 0.638 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 130.9 | 179 | -69.5 | -177.5 | 174.4 | 132.3 | -5.4 | 111.5 | I11 N13 E101 | I11-R18 HydrophobicContact CG2-CB 4.44Å; I11-R18 HydrophobicContact CG2-CG 4.42Å; N13-R18 HydrophobicContact CB-CG 4.46Å; R18-E101 IonicContact CZ-OE1 3.61Å; R18-E101 IonicContact NE-OE1 3.26Å; R18-E101 PolarHBondContact NE-OE1 2.85Å; R18-E101 IonicContact NH2-OE1 3.38Å; R18-E101 IonicContact NH2-OE2 2.71Å |
| 19 | H | 93.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 13% | 0.13 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.1 | 174.2 | -60 | -94.9 | 0 | 0 | 0 | 109.8 | L12 T17 F111 L115 | L12-H19 HydrophobicContact CB-CB 4.44Å; L12-H19 PolarHBondContact N-O 3.43Å; L12-H19 PolarHBondContact O-N 3.45Å; T17-H19 PolarHBondContact O-CD2 2.83Å; T17-H19 VanDerWaalsContact O-CD2 3.3Å; H19-F111 HydrophobicContact CB-CD1 4.42Å; H19-F111 HydrophobicContact CB-CE1 3.92Å; H19-F111 AromaticContact CD2-CD1 3.47Å; H19-F111 VanDerWaalsContact CD2-CD1 3.47Å; H19-F111 WeakPolarHBondContact CD2-CD1 3.38Å; H19-F111 AromaticContact CD2-CE1 3.76Å; H19-F111 AromaticContact CE1-CD1 3.95Å; H19-F111 AromaticContact CG-CD1 3.75Å; H19-F111 AromaticContact CG-CE1 3.75Å; H19-F111 AromaticContact NE2-CD1 3.63Å; H19-L115 HydrophobicContact CB-CD2 3.74Å |
| 20 | E | 92 | Very high | 91.8 | Very high | 116 Ų | 116 | 51.6 Ų | 51.6 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.9 | 178.7 | -62.7 | -176.9 | -168.8 | 0 | 0 | 111 | I11 R119 | I11-E20 HydrophobicContact CG1-CG 4.42Å; E20-R119 PolarHBondContact O-NH2 3.35Å |
| 21 | T | 92.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.043 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 175.3 | 178.1 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | R9 V10 L12 L26 L115 | R9-T21 WeakPolarHBondContact CA-O 3.19Å; V10-T21 PolarHBondContact N-O 3.34Å; V10-T21 PolarHBondContact O-N 2.7Å; L12-T21 HydrophobicContact CD1-CG2 4.11Å; T21-L26 HydrophobicContact CG2-CD1 3.95Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.78Å; T21-L115 HydrophobicContact CG2-CD1 4.16Å |
| 22 | Y | 91.1 | Very high | 91.6 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 37% | 0.369 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 147.8 | 176 | -61.6 | -80.3 | 0 | 0 | 0 | 111.1 | N7 E8 R9 S24 T25 L26 | N7-Y22 HydrophobicContact CB-CD1 4.15Å; N7-Y22 HydrophobicContact CB-CE1 4.36Å; E8-Y22 WeakPolarHBondContact O-CA 3.31Å; R9-Y22 HydrophobicContact CG-CD1 3.87Å; R9-Y22 HydrophobicContact CG-CE1 3.52Å; Y22-S24 WeakPolarHBondContact CB-OG 3.29Å; Y22-S24 PolarHBondContact O-N 3.05Å; Y22-T25 WeakPolarHBondContact O-CB 3.35Å; Y22-T25 PolarHBondContact O-N 3.06Å; Y22-L26 PolarHBondContact O-N 3.42Å |
| 23 | R | 89 | Confident | 91.5 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 19% | 0.192 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -31.9 | 174.6 | -159 | 173.2 | -170.5 | -113.4 | -0.7 | 111.9 | E8 V10 L26 K27 A38 S39 S40 | E8-R23 HydrophobicContact CB-CB 4.5Å; E8-R23 PolarHBondContact O-N 3.41Å; V10-R23 HydrophobicContact CG2-CB 4.28Å; R23-L26 PolarHBondContact O-N 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.27Å; R23-K27 PolarHBondContact O-N 2.91Å; R23-A38 HydrophobicContact CG-CB 3.88Å; R23-A38 PolarHBondContact NE-O 2.77Å; R23-A38 PolarHBondContact NH1-O 3.04Å; R23-A38 PolarHBondContact NH2-O 3.49Å; R23-S39 PolarHBondContact NH2-O 3.28Å; R23-S40 PolarHBondContact NH2-O 2.75Å |
| 24 | S | 90 | Very high | 91.5 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 172.9 | 49.2 | 0 | 0 | 0 | 0 | 113 | N6 Y22 K27 | N6-S24 VanDerWaalsContact O-CB 3.27Å; N6-S24 WeakPolarHBondContact O-CB 3.49Å; N6-S24 PolarHBondContact O-OG 2.93Å; N6-S24 VanDerWaalsContact O-OG 3.06Å; Y22-S24 WeakPolarHBondContact CB-OG 3.29Å; Y22-S24 PolarHBondContact O-N 3.05Å; S24-K27 PolarHBondContact O-N 3.44Å |
| 25 | T | 92.5 | Very high | 91.2 | Very high | 26 Ų | 26 | 57.1 Ų | 57.1 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | Y22 K27 T28 R119 | Y22-T25 WeakPolarHBondContact O-CB 3.35Å; Y22-T25 PolarHBondContact O-N 3.06Å; T25-K27 PolarHBondContact O-N 2.91Å; T25-T28 WeakPolarHBondContact O-CG2 3.43Å; T25-T28 PolarHBondContact O-N 3.09Å; T25-T28 PolarHBondContact O-OG1 2.73Å; T25-R119 HydrophobicContact CG2-CG 3.79Å |
| 26 | L | 92.2 | Very high | 91 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.6 | -21.7 | 179.4 | -63.6 | -175.8 | 0 | 0 | 0 | 113.3 | L12 T21 Y22 R23 T28 L34 A35 A38 L115 Y118 | L12-L26 HydrophobicContact CD1-CD1 4.3Å; L12-L26 HydrophobicContact CD1-CD2 4.35Å; T21-L26 HydrophobicContact CG2-CD1 3.95Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.78Å; Y22-L26 PolarHBondContact O-N 3.42Å; R23-L26 PolarHBondContact O-N 3.25Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-L34 HydrophobicContact CD1-CB 4.48Å; L26-L34 HydrophobicContact CD2-CB 3.98Å; L26-L34 HydrophobicContact CD2-CD1 3.88Å; L26-A35 VanDerWaalsContact O-CA 3.29Å; L26-A35 WeakPolarHBondContact O-CA 3.47Å; L26-A35 WeakPolarHBondContact O-CB 3.29Å; L26-A38 HydrophobicContact CB-CB 3.58Å; L26-A38 HydrophobicContact CD1-CB 4.25Å; L26-L115 HydrophobicContact CD2-CD1 4.33Å; L26-Y118 HydrophobicContact CD2-CD1 4.29Å; L26-Y118 HydrophobicContact CD2-CG 4.4Å |
| 27 | K | 90.8 | Very high | 90.8 | Very high | 102 Ų | 102 | 60 Ų | 60 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6 | 177.1 | -71.7 | 176.7 | -179.2 | -176.2 | 0 | 113.7 | R23 S24 T25 L29 A38 | R23-K27 WeakPolarHBondContact O-CG 3.27Å; R23-K27 PolarHBondContact O-N 2.91Å; S24-K27 PolarHBondContact O-N 3.44Å; T25-K27 PolarHBondContact O-N 2.91Å; K27-L29 PolarHBondContact O-N 3.45Å; K27-A38 WeakPolarHBondContact CE-O 3.41Å; K27-A38 HydrophobicContact CG-CB 4.07Å |
| 28 | T | 91.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26.7 | -177.7 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | T25 L26 P30 Y118 | T25-T28 WeakPolarHBondContact O-CG2 3.43Å; T25-T28 PolarHBondContact O-N 3.09Å; T25-T28 PolarHBondContact O-OG1 2.73Å; L26-T28 VanDerWaalsContact C-N 3.32Å; T28-P30 WeakPolarHBondContact O-CD 3.43Å; T28-Y118 PolarHBondContact OG1-O 3.5Å; T28-Y118 VanDerWaalsContact OG1-O 3.06Å |
| 29 | L | 90.3 | Very high | 89.5 | Confident | 28 Ų | 28 | 52.4 Ų | 52.4 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -118.6 | 80.8 | -178.4 | -63 | 169.8 | 0 | 0 | 0 | 110.3 | K27 T32 A35 Y117 Y118 | K27-L29 PolarHBondContact O-N 3.45Å; L29-T32 HydrophobicContact CB-CG2 3.81Å; L29-T32 WeakPolarHBondContact O-CG2 3.35Å; L29-T32 PolarHBondContact O-OG1 2.7Å; L29-A35 WeakPolarHBondContact O-CB 3.36Å; L29-Y117 HydrophobicContact CD1-CD1 3.26Å; L29-Y117 HydrophobicContact CD1-CE1 3.19Å; L29-Y117 HydrophobicContact CD1-CG 3.98Å; L29-Y117 HydrophobicContact CD2-CE1 3.96Å; L29-Y117 HydrophobicContact CG-CE1 4.19Å; L29-Y118 HydrophobicContact CB-CD1 4.07Å; L29-Y118 HydrophobicContact CB-CE1 3.85Å; L29-Y118 HydrophobicContact CD1-CD1 3.76Å; L29-Y118 HydrophobicContact CD1-CD2 4.15Å; L29-Y118 HydrophobicContact CD1-CE1 3.95Å; L29-Y118 HydrophobicContact CD1-CE2 4.27Å; L29-Y118 HydrophobicContact CD1-CG 3.87Å; L29-Y118 HydrophobicContact CG-CD1 4.15Å; L29-Y118 HydrophobicContact CG-CE1 4.36Å |
| 30 | P | 86.8 | Confident | 88.3 | Confident | 112 Ų | 112 | 54 Ų | 54 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 146.2 | -179.3 | 27.6 | -34.8 | 0 | 0 | 0 | 111.4 | T28 T32 | T28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-T32 VanDerWaalsContact C-N 3.33Å |
| 31 | G | 85.1 | Confident | 86.5 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.6 | -15.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 32 | T | 92.8 | Very high | 84.6 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -76.9 | 160.9 | 174.3 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | L29 P30 L34 A35 L36 Y118 I143 | L29-T32 HydrophobicContact CB-CG2 3.81Å; L29-T32 WeakPolarHBondContact O-CG2 3.35Å; L29-T32 PolarHBondContact O-OG1 2.7Å; P30-T32 VanDerWaalsContact C-N 3.33Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.06Å; T32-A35 PolarHBondContact O-N 3.28Å; T32-A35 VanDerWaalsContact OG1-CB 3.31Å; T32-A35 WeakPolarHBondContact OG1-CB 3.05Å; T32-A35 PolarHBondContact OG1-N 3.08Å; T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 2.83Å; T32-Y118 WeakPolarHBondContact CB-OH 3.48Å; T32-Y118 WeakPolarHBondContact OG1-CE1 3.39Å; T32-Y118 PolarHBondContact OG1-OH 3.46Å; T32-I143 HydrophobicContact CG2-CG1 4.07Å |
| 33 | R | 91.8 | Very high | 82.3 | Confident | 105 Ų | 105 | 60.5 Ų | 60.5 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -39.7 | 179.6 | -172.1 | -176.8 | -63.7 | -88.6 | -3.5 | 112.7 | L36 L37 F140 W141 | R33-L36 PolarHBondContact O-N 3.24Å; R33-L37 PolarHBondContact O-N 3.45Å; R33-F140 PolarHBondContact NE-O 3.26Å; R33-F140 PolarHBondContact NH2-O 3.18Å; R33-W141 WeakPolarHBondContact CB-O 3.4Å; R33-W141 PolarHBondContact N-O 3.17Å |
| 34 | L | 92.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.9 | -32.9 | -179.6 | -62.3 | 179.9 | 0 | 0 | 0 | 112.4 | L12 L26 T32 L36 L37 A38 F104 F111 Y118 W141 | L12-L34 HydrophobicContact CD1-CD1 4.25Å; L12-L34 HydrophobicContact CD1-CD2 4.17Å; L26-L34 HydrophobicContact CD1-CB 4.48Å; L26-L34 HydrophobicContact CD2-CB 3.98Å; L26-L34 HydrophobicContact CD2-CD1 3.88Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.06Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 2.92Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 PolarHBondContact O-N 2.79Å; L34-A38 WeakPolarHBondContact O-CB 3.46Å; L34-A38 PolarHBondContact O-N 3Å; L34-F104 HydrophobicContact CD2-CZ 4.32Å; L34-F111 HydrophobicContact CD1-CE2 3.95Å; L34-F111 HydrophobicContact CD1-CZ 4.07Å; L34-Y118 HydrophobicContact CB-CE1 4.08Å; L34-Y118 HydrophobicContact CD1-CD2 4.27Å; L34-Y118 HydrophobicContact CD1-CE2 3.7Å; L34-Y118 HydrophobicContact CG-CE2 4.48Å; L34-W141 HydrophobicContact CD1-CE3 4.47Å; L34-W141 HydrophobicContact CD2-CE3 4.07Å; L34-W141 HydrophobicContact CD2-CZ3 3.67Å; L34-W141 HydrophobicContact CG-CE3 4.04Å; L34-W141 HydrophobicContact CG-CZ3 4.16Å |
| 35 | A | 90.3 | Very high | 77 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L26 L29 T32 A38 S39 | L26-A35 VanDerWaalsContact O-CA 3.29Å; L26-A35 WeakPolarHBondContact O-CA 3.47Å; L26-A35 WeakPolarHBondContact O-CB 3.29Å; L29-A35 WeakPolarHBondContact O-CB 3.36Å; T32-A35 PolarHBondContact O-N 3.28Å; T32-A35 VanDerWaalsContact OG1-CB 3.31Å; T32-A35 WeakPolarHBondContact OG1-CB 3.05Å; T32-A35 PolarHBondContact OG1-N 3.08Å; A35-A38 CarbonylContact O-C 3.58Å; A35-A38 PolarHBondContact O-N 3.01Å; A35-S39 WeakPolarHBondContact O-CB 3.19Å; A35-S39 PolarHBondContact O-N 3.26Å |
| 36 | L | 88.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 71.7 Ų | 71.7 | 56% | 0.56 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 174.5 | -66.6 | 173 | 0 | 0 | 0 | 111.6 | T32 R33 L34 A38 S39 S40 | T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 2.83Å; R33-L36 PolarHBondContact O-N 3.24Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 2.92Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.49Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 PolarHBondContact O-OG 2.75Å; L36-S40 PolarHBondContact O-N 2.98Å |
| 37 | L | 86 | Confident | 71 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 174.8 | -70.5 | 167.9 | 0 | 0 | 0 | 113 | R33 L34 S39 S40 F102 F104 | R33-L37 PolarHBondContact O-N 3.45Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 PolarHBondContact O-N 2.79Å; L37-S39 PolarHBondContact O-N 3.19Å; L37-S40 PolarHBondContact O-OG 3.48Å; L37-S40 VanDerWaalsContact O-OG 3.08Å; L37-F102 HydrophobicContact CD2-CD1 4.42Å; L37-F102 HydrophobicContact CD2-CE1 4.2Å; L37-F104 HydrophobicContact CD1-CE1 4.24Å; L37-F104 HydrophobicContact CD1-CZ 3.57Å |
| 38 | A | 83.9 | Confident | 68.3 | Low | 3 Ų | 3 | 80 Ų | 80 | 3% | 0.025 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R23 L26 K27 L34 A35 L36 | R23-A38 HydrophobicContact CG-CB 3.88Å; R23-A38 PolarHBondContact NE-O 2.77Å; R23-A38 PolarHBondContact NH1-O 3.04Å; R23-A38 PolarHBondContact NH2-O 3.49Å; L26-A38 HydrophobicContact CB-CB 3.58Å; L26-A38 HydrophobicContact CD1-CB 4.25Å; K27-A38 WeakPolarHBondContact CE-O 3.41Å; K27-A38 HydrophobicContact CG-CB 4.07Å; L34-A38 WeakPolarHBondContact O-CB 3.46Å; L34-A38 PolarHBondContact O-N 3Å; A35-A38 CarbonylContact O-C 3.58Å; A35-A38 PolarHBondContact O-N 3.01Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.49Å |
| 39 | S | 76.1 | Confident | 65.6 | Low | 70 Ų | 70 | 82.5 Ų | 82.5 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -25.7 | 177.7 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | R23 A35 L36 L37 E41 | R23-S39 PolarHBondContact NH2-O 3.28Å; A35-S39 WeakPolarHBondContact O-CB 3.19Å; A35-S39 PolarHBondContact O-N 3.26Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 PolarHBondContact O-OG 2.75Å; L37-S39 PolarHBondContact O-N 3.19Å; S39-E41 PolarHBondContact O-N 2.84Å |
| 40 | S | 68.5 | Low | 62.8 | Low | 62 Ų | 62 | 86.4 Ų | 86.4 | 43% | 0.434 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -63.6 | 118.9 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 111 | R23 L36 L37 | R23-S40 PolarHBondContact NH2-O 2.75Å; L36-S40 PolarHBondContact O-N 2.98Å; L37-S40 PolarHBondContact O-OG 3.48Å; L37-S40 VanDerWaalsContact O-OG 3.08Å |
| 41 | E | 54.9 | Low | 60.3 | Low | 166 Ų | 166 | 84.3 Ų | 84.3 | 78% | 0.776 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 153 | 175.1 | -69.2 | -158.8 | 145.2 | 0 | 0 | 110.9 | S39 | S39-E41 PolarHBondContact O-N 2.84Š|
| 42 | P | 51.6 | Low | 58 | Low | 73 Ų | 73 | 88.2 Ų | 88.2 | 47% | 0.474 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -46.3 | 134 | 163.6 | -26.3 | 35.4 | 0 | 0 | 0 | 111.2 | G44 R100 | P42-G44 PolarHBondContact O-N 3.25Å; P42-R100 VanDerWaalsContact CA-NH2 3.25Å |
| 43 | P | 43.2 | Very low | 55.2 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 74% | 0.74 | 58% | 0.58 | S | S | * | * | trans | -60.1 | 108.8 | 159.1 | 24.3 | -28 | 0 | 0 | 0 | 106.6 | ||||
| 44 | G | 35.3 | Very low | 52.6 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | trans | -64 | 133 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P42 C46 | P42-G44 PolarHBondContact O-N 3.25Å; G44-C46 PolarHBondContact O-N 3.33Å | ||
| 45 | D | 32.3 | Very low | 50 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | trans | -56.9 | 100.1 | 171.6 | -69.7 | -44.4 | 0 | 0 | 0 | 109.7 | L47 | D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.93Å | ||
| 46 | C | 28.3 | Very low | 47.6 | Very low | 129 Ų | 129 | 113.7 Ų | 113.7 | 87% | 0.872 | 68% | 0.677 | S | S | * | * | trans | -77 | 82 | 169.8 | -92.3 | 0 | 0 | 0 | 0 | 109.8 | G44 | G44-C46 PolarHBondContact O-N 3.33Š| ||
| 47 | L | 30.6 | Very low | 45.3 | Very low | 153 Ų | 153 | 114 Ų | 114 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | trans | -145.1 | 98.2 | 157.7 | -109.5 | 115.2 | 0 | 0 | 0 | 108 | D45 | D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.93Å | ||
| 48 | T | 33.6 | Very low | 43.3 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | 165.7 | 133.1 | 123.2 | 36.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 49 | T | 34.3 | Very low | 41.7 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 67.3 | 104.7 | 146.5 | 53.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 50 | A | 31.6 | Very low | 40.4 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | -49.6 | 140.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 51 | G | 34.7 | Very low | 39.3 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | 166.5 | 99.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 52 | D | 36.7 | Very low | 39.3 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 79.1 | 109.3 | 152.1 | -64.3 | -34.4 | 0 | 0 | 0 | 122.2 | ||||
| 53 | K | 35 | Very low | 39.6 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | 26.3 | 128.7 | 123.2 | -64.1 | -179.1 | 177 | -172 | 0 | 116.2 | |||||
| 54 | L | 37.4 | Very low | 40.3 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | -173.7 | 160.3 | 62.9 | -163.4 | 68.4 | 0 | 0 | 0 | 111.2 | |||||
| 55 | Q | 38.4 | Very low | 41 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -72.6 | 178.3 | -166.4 | -99.5 | -167.8 | -8.1 | 0 | 0 | 118.6 | ||||
| 56 | P | 39.5 | Very low | 41.4 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -113.6 | -178.1 | -142.3 | 45.1 | -36.8 | 0 | 0 | 0 | 115.5 | ||||
| 57 | S | 38.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -155.8 | 136.4 | 158.6 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 58 | P | 44.3 | Very low | 42.8 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -106.2 | -164.1 | -173.9 | 46.5 | -37.5 | 0 | 0 | 0 | 112.6 | ||||
| 59 | P | 51.5 | Low | 43.2 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -107.2 | -164.8 | -115.5 | 31.5 | -7.7 | 0 | 0 | 0 | 113.3 | |||||
| 60 | P | 48.5 | Very low | 43.2 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -149.7 | 169.2 | 122.3 | 33 | -12.8 | 0 | 0 | 0 | 118.1 | |||||
| 61 | L | 45.1 | Very low | 43.4 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -73.3 | 157.6 | -170.4 | -68.5 | 91.4 | 0 | 0 | 0 | 116.9 | ||||
| 62 | S | 54.5 | Low | 43.8 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | -179.8 | 139 | 120.6 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 63 | P | 58 | Low | 43.7 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -125.5 | 169.5 | 167.5 | 39.6 | -26.8 | 0 | 0 | 0 | 113.6 | ||||
| 64 | P | 57.8 | Low | 43.7 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -144.1 | -174.7 | 138.4 | 44 | -28 | 0 | 0 | 0 | 112.8 | ||||
| 65 | P | 51.1 | Low | 43.4 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | -114.8 | 174.5 | -97.4 | 26.2 | -3.1 | 0 | 0 | 0 | 115.4 | |||||
| 66 | R | 39.5 | Very low | 43 | Very low | 224 Ų | 224 | 118.8 Ų | 118.8 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 143.6 | -164.6 | -141.7 | 176.9 | -154.3 | -143.5 | 2.7 | 114.3 | ||
| 67 | A | 43.6 | Very low | 42.5 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 154.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 68 | P | 45.9 | Very low | 42 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 149.5 | -158.6 | 31.5 | -33.8 | 0 | 0 | 0 | 113 | L70 | P68-L70 PolarHBondContact O-N 3.3Š|
| 69 | P | 40.3 | Very low | 41.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 123.3 | 179.5 | 31.2 | -29.5 | 0 | 0 | 0 | 111 | ||
| 70 | L | 36.2 | Very low | 40.2 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 128.5 | 156.2 | -85.8 | 151.6 | 0 | 0 | 0 | 108.2 | P68 | P68-L70 PolarHBondContact O-N 3.3Š|
| 71 | S | 35.8 | Very low | 39.2 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -44.3 | 125.1 | 179.7 | 41.7 | 0 | 0 | 0 | 0 | 113.4 | G73 | S71-G73 PolarHBondContact O-N 2.87Š| ||
| 72 | P | 41.5 | Very low | 38.5 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -74.3 | 124.3 | 168.2 | 29.2 | -27.5 | 0 | 0 | 0 | 108.7 | ||||
| 73 | G | 34.6 | Very low | 37.6 | Very low | 57 Ų | 57 | 117.6 Ų | 117.6 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | trans | -56.2 | 158.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110 | S71 G75 | S71-G73 PolarHBondContact O-N 2.87Å; G73-G75 PolarHBondContact O-N 3.03Å | ||
| 74 | P | 36.5 | Very low | 36.5 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -62 | 102.4 | -170.2 | 27.2 | -32.4 | 0 | 0 | 0 | 109.3 | G76 | P74-G76 PolarHBondContact O-N 3.44Š| ||
| 75 | G | 29.9 | Very low | 35.6 | Very low | 70 Ų | 70 | 117.2 Ų | 117.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -62.4 | 104 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | G73 C77 | G73-G75 PolarHBondContact O-N 3.03Å; G75-C77 PolarHBondContact O-N 3.31Å; G75-C77 VanDerWaalsContact O-N 3.08Å | ||
| 76 | G | 30.3 | Very low | 35.1 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | -61 | 110 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | P74 F78 | P74-G76 PolarHBondContact O-N 3.44Å; G76-F78 PolarHBondContact O-N 3.35Å | ||
| 77 | C | 28.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 108 Ų | 108 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -56.2 | 108.5 | 160.9 | -69.2 | 0 | 0 | 0 | 0 | 107.5 | G75 E79 | G75-C77 PolarHBondContact O-N 3.31Å; G75-C77 VanDerWaalsContact O-N 3.08Å; C77-E79 PolarHBondContact O-N 3.37Å | ||
| 78 | F | 29.4 | Very low | 34.8 | Very low | 215 Ų | 215 | 115.2 Ų | 115.2 | 94% | 0.943 | 75% | 0.753 | S | S | * | * | trans | -69.1 | 84.3 | 164.7 | -94.8 | -89.5 | 0 | 0 | 0 | 108 | G76 | G76-F78 PolarHBondContact O-N 3.35Š| ||
| 79 | E | 30.3 | Very low | 34.2 | Very low | 188 Ų | 188 | 113.1 Ų | 113.1 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -78.8 | 123.6 | 159.6 | -82.1 | -165.1 | 114.4 | 0 | 0 | 109.7 | C77 | C77-E79 PolarHBondContact O-N 3.37Š| ||
| 80 | G | 27 | Very low | 33.8 | Very low | 83 Ų | 83 | 110.9 Ų | 110.9 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | 80.3 | 70.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 81 | G | 27.2 | Very low | 33.4 | Very low | 71 Ų | 71 | 114.5 Ų | 114.5 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -137.7 | 75.9 | 155 | 0 | 0 | 0 | 0 | 0 | 109.8 | G83 | G81-G83 VanDerWaalsContact C-N 3.26Å; G81-G83 PolarHBondContact O-N 3.33Å | ||
| 82 | A | 31.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 114 Ų | 114 | 88% | 0.884 | 75% | 0.754 | S | S | * | * | trans | -66 | 86.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N84 | A82-N84 PolarHBondContact O-N 3.35Š| ||
| 83 | G | 34.7 | Very low | 32.8 | Very low | 62 Ų | 62 | 112.9 Ų | 112.9 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -61.2 | 131.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G81 C85 | G81-G83 VanDerWaalsContact C-N 3.26Å; G81-G83 PolarHBondContact O-N 3.33Å; G83-C85 PolarHBondContact O-N 3.48Å | ||
| 84 | N | 35.6 | Very low | 32.8 | Very low | 149 Ų | 149 | 117.6 Ų | 117.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -47.2 | 91.9 | -178.3 | -99.9 | -7.8 | 0 | 0 | 0 | 112.4 | A82 S86 | A82-N84 PolarHBondContact O-N 3.35Å; N84-S86 PolarHBondContact O-N 2.95Å | ||
| 85 | C | 38.4 | Very low | 32.7 | Very low | 81 Ų | 81 | 118.5 Ų | 118.5 | 55% | 0.547 | 75% | 0.752 | S | S | . | * | trans | -75.9 | 86.3 | 158 | -84.3 | 0 | 0 | 0 | 0 | 107.2 | G83 S87 | G83-C85 PolarHBondContact O-N 3.48Å; C85-S87 VanDerWaalsContact C-N 3.26Å; C85-S87 PolarHBondContact O-N 3.21Å | ||
| 86 | S | 40.3 | Very low | 32.9 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 51% | 0.51 | 76% | 0.761 | S | S | . | * | trans | -72 | 90.1 | 162.2 | -70.1 | 0 | 0 | 0 | 0 | 107.6 | N84 R88 | N84-S86 PolarHBondContact O-N 2.95Å; S86-R88 PolarHBondContact O-N 2.99Å | ||
| 87 | S | 39.4 | Very low | 33.5 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -62.8 | 90.8 | 155.8 | -71 | 0 | 0 | 0 | 0 | 106.3 | C85 G89 | C85-S87 VanDerWaalsContact C-N 3.26Å; C85-S87 PolarHBondContact O-N 3.21Å; S87-G89 PolarHBondContact O-N 3.22Å | ||
| 88 | R | 37.4 | Very low | 34.1 | Very low | 234 Ų | 234 | 120.3 Ų | 120.3 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -71.3 | 88.7 | 170.8 | -156.2 | 176.4 | -175.3 | -172 | 0.9 | 105.7 | S86 G90 | S86-R88 PolarHBondContact O-N 2.99Å; R88-G90 PolarHBondContact O-N 2.95Å | ||
| 89 | G | 33.6 | Very low | 35.5 | Very low | 76 Ų | 76 | 111.3 Ų | 111.3 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | -62.4 | 74.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | S87 R91 | S87-G89 PolarHBondContact O-N 3.22Å; G89-R91 PolarHBondContact O-N 2.83Å | ||
| 90 | G | 30.6 | Very low | 37.5 | Very low | 58 Ų | 58 | 107.5 Ų | 107.5 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | trans | -57.4 | 128.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | R88 A92 | R88-G90 PolarHBondContact O-N 2.95Å; G90-A92 PolarHBondContact O-N 3.26Å; G90-A92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | R | 28.6 | Very low | 40.3 | Very low | 245 Ų | 245 | 107.1 Ų | 107.1 | 93% | 0.925 | 69% | 0.687 | S | S | * | * | trans | -35.1 | 122 | 173.5 | -78.9 | 178.5 | -174.7 | 171.1 | 1.1 | 108.7 | G89 S93 | G89-R91 PolarHBondContact O-N 2.83Å; R91-S93 PolarHBondContact O-N 3.07Å | ||
| 92 | A | 31.6 | Very low | 43.4 | Very low | 94 Ų | 94 | 105.2 Ų | 105.2 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | trans | -53.1 | 93.3 | 165 | 0 | 0 | 0 | 0 | 0 | 107.5 | G90 D94 | G90-A92 PolarHBondContact O-N 3.26Å; G90-A92 VanDerWaalsContact O-N 3.09Å; A92-D94 PolarHBondContact O-N 3.1Å | ||
| 93 | S | 33.4 | Very low | 46.3 | Very low | 98 Ų | 98 | 104.1 Ų | 104.1 | 69% | 0.685 | 63% | 0.634 | S | S | * | * | trans | -71.6 | 116.7 | 152.3 | 49.6 | 0 | 0 | 0 | 0 | 104.6 | R91 H95 | R91-S93 PolarHBondContact O-N 3.07Å; S93-H95 VanDerWaalsContact C-N 3.26Å; S93-H95 PolarHBondContact O-N 2.84Å | ||
| 94 | D | 33.4 | Very low | 49.1 | Very low | 156 Ų | 156 | 101.8 Ų | 101.8 | 83% | 0.834 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -47.8 | 81.8 | 179.7 | -70.2 | -50.1 | 0 | 0 | 0 | 112.9 | A92 | A92-D94 PolarHBondContact O-N 3.1Š|
| 95 | H | 34.4 | Very low | 51.9 | Low | 157 Ų | 157 | 101.2 Ų | 101.2 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | trans | -121.9 | 114.9 | 164.2 | -89.9 | 5.8 | 0 | 0 | 0 | 108.2 | S93 G97 G98 | S93-H95 VanDerWaalsContact C-N 3.26Å; S93-H95 PolarHBondContact O-N 2.84Å; H95-G97 VanDerWaalsContact C-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; H95-G98 PolarHBondContact O-N 2.75Å | ||
| 96 | P | 34.4 | Very low | 54.6 | Low | 140 Ų | 140 | 100.5 Ų | 100.5 | 91% | 0.909 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 91.9 | 179.8 | 29.3 | -30.8 | 0 | 0 | 0 | 107.6 | ||
| 97 | G | 44.3 | Very low | 57.2 | Low | 76 Ų | 76 | 100.2 Ų | 100.2 | 78% | 0.784 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.9 | 0.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | H95 G99 | H95-G97 VanDerWaalsContact C-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; G97-G99 PolarHBondContact O-N 3.36Å |
| 98 | G | 40.7 | Very low | 59.8 | Low | 73 Ų | 73 | 98 Ų | 98 | 75% | 0.753 | 56% | 0.563 | S | S | * | * | trans | -70.7 | 86.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | H95 | H95-G98 PolarHBondContact O-N 2.75Š| ||
| 99 | G | 59 | Low | 62.5 | Low | 27 Ų | 27 | 88.4 Ų | 88.4 | 28% | 0.278 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 149.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G97 E101 | G97-G99 PolarHBondContact O-N 3.36Å; G99-E101 PolarHBondContact O-N 2.93Å |
| 100 | R | 72.5 | Confident | 65.4 | Low | 107 Ų | 107 | 84.8 Ų | 84.8 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -62 | 131.1 | 178.8 | -68.1 | 179.3 | -176.3 | 174.8 | 0.5 | 111.1 | I11 P42 F102 | I11-R100 PolarHBondContact N-O 2.95Å; P42-R100 VanDerWaalsContact CA-NH2 3.25Å; R100-F102 HydrophobicContact CB-CE2 4.11Å; R100-F102 HydrophobicContact CB-CZ 4.48Å |
| 101 | E | 86.2 | Confident | 68.5 | Low | 75 Ų | 75 | 82 Ų | 82 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.7 | 172.4 | -173.3 | 173.5 | -168.2 | 0 | 0 | 110.4 | I11 N13 R18 G99 | I11-E101 HydrophobicContact CB-CB 4.11Å; I11-E101 HydrophobicContact CB-CG 4.16Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.84Å; I11-E101 CarbonylContact O-C 3.45Å; I11-E101 VanDerWaalsContact O-CA 3.27Å; I11-E101 WeakPolarHBondContact O-CA 3.37Å; N13-E101 HydrophobicContact CB-CG 4.16Å; N13-E101 WeakPolarHBondContact CB-OE1 3.34Å; N13-E101 PolarHBondContact ND2-OE1 2.8Å; R18-E101 IonicContact CZ-OE1 3.61Å; R18-E101 IonicContact NE-OE1 3.26Å; R18-E101 PolarHBondContact NE-OE1 2.85Å; R18-E101 IonicContact NH2-OE1 3.38Å; R18-E101 IonicContact NH2-OE2 2.71Å; G99-E101 PolarHBondContact O-N 2.93Å |
| 102 | F | 90.4 | Very high | 71.7 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 14% | 0.136 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.7 | 173.6 | -63 | -88.6 | 0 | 0 | 0 | 110.2 | V10 I11 L12 N13 L37 R100 F104 | V10-F102 HydrophobicContact CG1-CD2 3.7Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å; I11-F102 PolarHBondContact O-N 2.74Å; L12-F102 CarbonylContact C-O 3.52Å; L12-F102 HydrophobicContact CD2-CB 3.96Å; L12-F102 HydrophobicContact CD2-CD2 3.92Å; L12-F102 HydrophobicContact CD2-CG 4.3Å; N13-F102 PolarHBondContact N-O 2.79Å; L37-F102 HydrophobicContact CD2-CD1 4.42Å; L37-F102 HydrophobicContact CD2-CE1 4.2Å; R100-F102 HydrophobicContact CB-CE2 4.11Å; R100-F102 HydrophobicContact CB-CZ 4.48Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.34Å |
| 103 | F | 92.7 | Very high | 74.7 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 37% | 0.373 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.4 | 179.9 | 178.8 | -101.1 | 0 | 0 | 0 | 112.5 | N13 D105 | N13-F103 HydrophobicContact CB-CD2 4.1Å; N13-F103 CarbonylContact O-C 3.51Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.45Å; N13-F103 WeakPolarHBondContact O-CD2 2.94Å; F103-D105 HydrophobicContact CE1-CB 4.01Å; F103-D105 HydrophobicContact CZ-CB 4.25Å |
| 104 | F | 94.2 | Very high | 77.7 | Confident | 13 Ų | 13 | 67.1 Ų | 67.1 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 122.2 | 174.5 | -57.8 | -88.3 | 0 | 0 | 0 | 110.3 | L12 N13 V14 G15 L34 L37 F102 R106 F140 W141 | L12-F104 HydrophobicContact CD2-CE2 4.21Å; N13-F104 PolarHBondContact O-N 2.96Å; V14-F104 CarbonylContact C-O 3.53Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.44Å; V14-F104 HydrophobicContact CG1-CB 4.38Å; V14-F104 HydrophobicContact CG2-CB 4.22Å; V14-F104 HydrophobicContact CG2-CD2 4.05Å; G15-F104 PolarHBondContact N-O 3.03Å; L34-F104 HydrophobicContact CD2-CZ 4.32Å; L37-F104 HydrophobicContact CD1-CE1 4.24Å; L37-F104 HydrophobicContact CD1-CZ 3.57Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.34Å; F104-R106 VanDerWaalsContact C-N 3.25Å; F104-R106 HydrophobicContact CB-CB 4.48Å; F104-R106 HydrophobicContact CB-CG 4.14Å; F104-R106 PolarHBondContact O-N 3.06Å; F104-F140 HydrophobicContact CD1-CE1 4.25Å; F104-F140 HydrophobicContact CD1-CZ 4.15Å; F104-W141 HydrophobicContact CB-CH2 4.04Å; F104-W141 AromaticContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CZ3 4.04Å; F104-W141 AromaticContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CZ3 4.4Å; F104-W141 HydrophobicContact CE1-CH2 4.22Å; F104-W141 AromaticContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE2-CH2 4.33Å; F104-W141 HydrophobicContact CE2-CZ3 4.37Å; F104-W141 AromaticContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CZ3 4.24Å; F104-W141 HydrophobicContact CZ-CH2 4.46Å; F104-W141 HydrophobicContact CZ-CZ3 4.16Å |
| 105 | D | 94.5 | Very high | 80.7 | Confident | 137 Ų | 137 | 59.8 Ų | 59.8 | 73% | 0.733 | 35% | 0.351 | S | S | * | . | trans | -82.9 | 69.8 | 175.4 | -166.1 | 22.9 | 0 | 0 | 0 | 110.7 | F103 | F103-D105 HydrophobicContact CE1-CB 4.01Å; F103-D105 HydrophobicContact CZ-CB 4.25Å | ||
| 106 | R | 95.2 | Very high | 83.6 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -137.6 | 173.6 | -171.4 | -60.5 | -62.9 | -62.6 | -126 | 0.9 | 111.3 | V14 G15 F104 P108 E136 E137 F140 W141 | V14-R106 HydrophobicContact CG1-CB 3.91Å; G15-R106 WeakPolarHBondContact CA-O 3.38Å; G15-R106 PolarHBondContact N-O 3.01Å; F104-R106 VanDerWaalsContact C-N 3.25Å; F104-R106 HydrophobicContact CB-CB 4.48Å; F104-R106 HydrophobicContact CB-CG 4.14Å; F104-R106 PolarHBondContact O-N 3.06Å; R106-P108 WeakPolarHBondContact O-CD 3.31Å; R106-E136 PolarHBondContact NH2-O 3.05Å; R106-E137 IonicContact CZ-OE1 3.88Å; R106-E137 IonicContact NE-OE1 3.9Å; R106-E137 PolarHBondContact NE-OE1 2.78Å; R106-E137 IonicContact NE-OE2 3.22Å; R106-E137 IonicContact NH2-OE1 3.03Å; R106-E137 PolarHBondContact NH2-OE1 2.78Å; R106-E137 IonicContact NH2-OE2 3.79Å; R106-F140 HydrophobicContact CG-CD1 4.25Å; R106-F140 HydrophobicContact CG-CE1 3.77Å; R106-F140 HydrophobicContact CG-CZ 4.11Å; R106-F140 VanDerWaalsContact CZ-CB 3.47Å; R106-F140 VanDerWaalsContact NH1-CB 3.25Å; R106-F140 VanDerWaalsContact NH2-CB 3.27Å; R106-W141 HydrophobicContact CB-CZ2 4.31Å; R106-W141 HydrophobicContact CG-CZ2 4.42Å |
| 107 | H | 94.3 | Very high | 86.5 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | trans | -69.3 | 111.3 | -174.1 | -167.2 | -60.9 | 0 | 0 | 0 | 112.3 | G109 V110 F111 E137 | H107-G109 PolarHBondContact ND1-N 3.42Å; H107-G109 VanDerWaalsContact ND1-N 3.12Å; H107-G109 PolarHBondContact O-N 3.05Å; H107-V110 HydrophobicContact CB-CB 4.36Å; H107-V110 HydrophobicContact CB-CG2 4.32Å; H107-V110 PolarHBondContact ND1-N 2.89Å; H107-F111 PolarHBondContact O-N 2.92Å; H107-E137 HydrophobicContact CB-CG 4.42Å | ||
| 108 | P | 94.4 | Very high | 89 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 29% | 0.286 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -37.4 | -175.1 | 23 | -31.8 | 0 | 0 | 0 | 113.2 | V14 T17 R106 F111 A112 | V14-P108 WeakPolarHBondContact O-CB 3.27Å; T17-P108 WeakPolarHBondContact OG1-CB 3.31Å; R106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-F111 PolarHBondContact O-N 3.18Å; P108-A112 PolarHBondContact O-N 2.86Å |
| 109 | G | 93.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -51.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H107 F111 A112 Y113 | H107-G109 PolarHBondContact ND1-N 3.42Å; H107-G109 VanDerWaalsContact ND1-N 3.12Å; H107-G109 PolarHBondContact O-N 3.05Å; G109-F111 VanDerWaalsContact C-N 3.3Å; G109-F111 PolarHBondContact O-N 3.08Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 2.98Å; G109-Y113 WeakPolarHBondContact O-CD2 3.41Å |
| 110 | V | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | H107 A112 Y113 V114 P126 V129 F134 E137 | H107-V110 HydrophobicContact CB-CB 4.36Å; H107-V110 HydrophobicContact CB-CG2 4.32Å; H107-V110 PolarHBondContact ND1-N 2.89Å; V110-A112 PolarHBondContact O-N 2.85Å; V110-Y113 WeakPolarHBondContact O-CB 3.47Å; V110-Y113 PolarHBondContact O-N 3.39Å; V110-V114 HydrophobicContact CG1-CG2 4.36Å; V110-V114 PolarHBondContact O-N 2.63Å; V110-V114 VanDerWaalsContact O-N 3.13Å; V110-P126 HydrophobicContact CG2-CG 4.43Å; V110-V129 HydrophobicContact CG2-CB 4.46Å; V110-V129 HydrophobicContact CG2-CG1 3.83Å; V110-V129 HydrophobicContact CG2-CG2 3.95Å; V110-F134 HydrophobicContact CG1-CD2 3.61Å; V110-F134 HydrophobicContact CG1-CE2 3.83Å; V110-F134 HydrophobicContact CG2-CD2 4.41Å; V110-E137 HydrophobicContact CB-CB 4.39Å; V110-E137 HydrophobicContact CB-CG 4.06Å; V110-E137 HydrophobicContact CG1-CB 3.53Å; V110-E137 HydrophobicContact CG1-CG 3.76Å; V110-E137 HydrophobicContact CG2-CG 4.3Å |
| 111 | F | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -30.2 | 179.7 | -173.7 | -102.8 | 0 | 0 | 0 | 113.5 | L12 V14 H19 L34 H107 P108 G109 Y113 V114 L115 W141 | L12-F111 HydrophobicContact CB-CE1 4.19Å; L12-F111 HydrophobicContact CB-CZ 4.16Å; L12-F111 HydrophobicContact CD1-CE1 4.27Å; L12-F111 HydrophobicContact CD1-CZ 3.67Å; V14-F111 HydrophobicContact CB-CB 4.19Å; V14-F111 HydrophobicContact CB-CD1 3.99Å; V14-F111 HydrophobicContact CB-CG 4Å; V14-F111 HydrophobicContact CG1-CB 3.83Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CD2 4.43Å; V14-F111 HydrophobicContact CG1-CG 3.99Å; V14-F111 HydrophobicContact CG2-CB 4.32Å; V14-F111 HydrophobicContact CG2-CD1 3.46Å; V14-F111 VanDerWaalsContact CG2-CD1 3.46Å; V14-F111 HydrophobicContact CG2-CD2 3.88Å; V14-F111 HydrophobicContact CG2-CE1 3.61Å; V14-F111 HydrophobicContact CG2-CE2 4Å; V14-F111 HydrophobicContact CG2-CG 3.59Å; V14-F111 HydrophobicContact CG2-CZ 3.88Å; H19-F111 HydrophobicContact CB-CD1 4.42Å; H19-F111 HydrophobicContact CB-CE1 3.92Å; H19-F111 AromaticContact CD2-CD1 3.47Å; H19-F111 VanDerWaalsContact CD2-CD1 3.47Å; H19-F111 WeakPolarHBondContact CD2-CD1 3.38Å; H19-F111 AromaticContact CD2-CE1 3.76Å; H19-F111 AromaticContact CE1-CD1 3.95Å; H19-F111 AromaticContact CG-CD1 3.75Å; H19-F111 AromaticContact CG-CE1 3.75Å; H19-F111 AromaticContact NE2-CD1 3.63Å; L34-F111 HydrophobicContact CD1-CE2 3.95Å; L34-F111 HydrophobicContact CD1-CZ 4.07Å; H107-F111 PolarHBondContact O-N 2.92Å; P108-F111 PolarHBondContact O-N 3.18Å; G109-F111 VanDerWaalsContact C-N 3.3Å; G109-F111 PolarHBondContact O-N 3.08Å; F111-Y113 VanDerWaalsContact C-N 3.26Å; F111-Y113 PolarHBondContact O-N 3.35Å; F111-V114 HydrophobicContact CD2-CB 4.28Å; F111-V114 HydrophobicContact CD2-CG1 4.25Å; F111-V114 HydrophobicContact CE2-CG1 4.29Å; F111-V114 PolarHBondContact O-N 2.74Å; F111-L115 HydrophobicContact CE1-CB 4.2Å; F111-L115 HydrophobicContact CE1-CD2 4.32Å; F111-L115 HydrophobicContact CZ-CB 4.48Å; F111-L115 WeakPolarHBondContact O-CB 3.12Å; F111-L115 PolarHBondContact O-N 3.26Å; F111-W141 HydrophobicContact CD2-CD2 4.26Å; F111-W141 AromaticContact CD2-CE2 3.6Å; F111-W141 AromaticContact CD2-CH2 3.64Å; F111-W141 HydrophobicContact CD2-CH2 3.64Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.29Å; F111-W141 HydrophobicContact CE2-CD2 4.29Å; F111-W141 HydrophobicContact CE2-CE3 4.17Å; F111-W141 AromaticContact CE2-CH2 3.47Å; F111-W141 HydrophobicContact CE2-CH2 3.47Å; F111-W141 VanDerWaalsContact CE2-CH2 3.47Å; F111-W141 AromaticContact CE2-CZ2 3.63Å; F111-W141 HydrophobicContact CE2-CZ2 3.63Å; F111-W141 AromaticContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CG-CZ2 4.29Å |
| 112 | A | 95.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P108 G109 V110 N116 | P108-A112 PolarHBondContact O-N 2.86Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 2.98Å; V110-A112 PolarHBondContact O-N 2.85Å; A112-N116 WeakPolarHBondContact O-CB 3.47Å; A112-N116 PolarHBondContact O-N 2.96Å |
| 113 | Y | 95.6 | Very high | 95 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -73.2 | -42 | 176.2 | -69.4 | -98.2 | 0 | 0 | 0 | 111.8 | G109 V110 F111 L115 N116 Y117 H124 P126 | G109-Y113 WeakPolarHBondContact O-CD2 3.41Å; V110-Y113 WeakPolarHBondContact O-CB 3.47Å; V110-Y113 PolarHBondContact O-N 3.39Å; F111-Y113 VanDerWaalsContact C-N 3.26Å; F111-Y113 PolarHBondContact O-N 3.35Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 3.02Å; Y113-N116 WeakPolarHBondContact O-CB 3.28Å; Y113-N116 PolarHBondContact O-N 3.02Å; Y113-Y117 PolarHBondContact O-N 3.12Å; Y113-H124 HydrophobicContact CD1-CB 4.36Å; Y113-H124 WeakPolarHBondContact CD1-O 3.44Å; Y113-P126 HydrophobicContact CD2-CB 4.06Å; Y113-P126 HydrophobicContact CD2-CG 3.99Å; Y113-P126 HydrophobicContact CE1-CB 4.36Å; Y113-P126 HydrophobicContact CE2-CB 3.55Å; Y113-P126 HydrophobicContact CE2-CG 4.02Å; Y113-P126 HydrophobicContact CG-CG 4.38Å |
| 114 | V | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.5 | -51.2 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 110 | V110 F111 N116 Y117 Y118 W141 I143 | V110-V114 HydrophobicContact CG1-CG2 4.36Å; V110-V114 PolarHBondContact O-N 2.63Å; V110-V114 VanDerWaalsContact O-N 3.13Å; F111-V114 HydrophobicContact CD2-CB 4.28Å; F111-V114 HydrophobicContact CD2-CG1 4.25Å; F111-V114 HydrophobicContact CE2-CG1 4.29Å; F111-V114 PolarHBondContact O-N 2.74Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.81Å; V114-Y117 VanDerWaalsContact O-CB 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.45Å; V114-Y117 PolarHBondContact O-N 3.14Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; V114-Y118 HydrophobicContact CG1-CE2 3.94Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 2.84Å; V114-W141 HydrophobicContact CG1-CB 4.19Å; V114-W141 HydrophobicContact CG1-CD2 4.28Å; V114-W141 HydrophobicContact CG1-CG 3.91Å; V114-W141 HydrophobicContact CG2-CG 4.27Å; V114-I143 HydrophobicContact CB-CD1 4.46Å; V114-I143 HydrophobicContact CG1-CD1 3.71Å; V114-I143 HydrophobicContact CG2-CD1 4.39Å |
| 115 | L | 95.7 | Very high | 95 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 179 | -176.6 | 60.6 | 0 | 0 | 0 | 112.4 | H19 T21 L26 F111 Y113 Y117 Y118 R119 | H19-L115 HydrophobicContact CB-CD2 3.74Å; T21-L115 HydrophobicContact CG2-CD1 4.16Å; L26-L115 HydrophobicContact CD2-CD1 4.33Å; F111-L115 HydrophobicContact CE1-CB 4.2Å; F111-L115 HydrophobicContact CE1-CD2 4.32Å; F111-L115 HydrophobicContact CZ-CB 4.48Å; F111-L115 WeakPolarHBondContact O-CB 3.12Å; F111-L115 PolarHBondContact O-N 3.26Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 3.02Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 3.35Å; L115-Y118 PolarHBondContact O-N 2.76Å; L115-R119 WeakPolarHBondContact O-CG 3.37Å; L115-R119 PolarHBondContact O-N 3.18Å |
| 116 | N | 95 | Very high | 94.9 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 174.7 | -165.2 | 54.1 | 0 | 0 | 0 | 111.5 | A112 Y113 V114 Y118 R119 T120 | A112-N116 WeakPolarHBondContact O-CB 3.47Å; A112-N116 PolarHBondContact O-N 2.96Å; Y113-N116 WeakPolarHBondContact O-CB 3.28Å; Y113-N116 PolarHBondContact O-N 3.02Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.81Å; N116-Y118 PolarHBondContact O-N 2.81Å; N116-R119 CarbonylContact O-C 3.49Å; N116-R119 WeakPolarHBondContact O-CA 3.31Å; N116-R119 WeakPolarHBondContact O-CB 3.5Å; N116-R119 PolarHBondContact O-N 3.4Å; N116-T120 WeakPolarHBondContact O-CG2 3.41Å; N116-T120 PolarHBondContact O-N 3.28Å; N116-T120 PolarHBondContact O-OG1 3.11Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.4Å |
| 117 | Y | 96.4 | Very high | 94.5 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 175 | 178 | -129.2 | 0 | 0 | 0 | 112.5 | L29 Y113 V114 L115 R119 T120 G121 K122 L123 I143 D147 | L29-Y117 HydrophobicContact CD1-CD1 3.26Å; L29-Y117 HydrophobicContact CD1-CE1 3.19Å; L29-Y117 HydrophobicContact CD1-CG 3.98Å; L29-Y117 HydrophobicContact CD2-CE1 3.96Å; L29-Y117 HydrophobicContact CG-CE1 4.19Å; Y113-Y117 PolarHBondContact O-N 3.12Å; V114-Y117 VanDerWaalsContact O-CB 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.45Å; V114-Y117 PolarHBondContact O-N 3.14Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 3.35Å; Y117-R119 PolarHBondContact O-N 3.28Å; Y117-T120 PolarHBondContact O-N 2.82Å; Y117-G121 WeakPolarHBondContact CE2-O 3.41Å; Y117-G121 VanDerWaalsContact O-CA 3.28Å; Y117-G121 WeakPolarHBondContact O-CA 3.44Å; Y117-G121 PolarHBondContact O-N 3.3Å; Y117-K122 VanDerWaalsContact CD2-C 3.49Å; Y117-L123 HydrophobicContact CD1-CD1 4.38Å; Y117-L123 HydrophobicContact CD2-CB 3.63Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.93Å; Y117-L123 HydrophobicContact CG-CD1 4.05Å; Y117-I143 HydrophobicContact CD1-CD1 3.98Å; Y117-I143 HydrophobicContact CD1-CG1 4.36Å; Y117-I143 HydrophobicContact CD1-CG2 4.08Å; Y117-I143 HydrophobicContact CE1-CD1 4.5Å; Y117-I143 HydrophobicContact CE1-CG1 4.39Å; Y117-I143 HydrophobicContact CE1-CG2 3.76Å; Y117-D147 HydrophobicContact CE2-CB 4.41Å; Y117-D147 PolarHBondContact OH-OD2 2.92Å; Y117-D147 VanDerWaalsContact OH-OD2 3.12Å |
| 118 | Y | 95.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -29.6 | 173 | -70.8 | -97 | 0 | 0 | 0 | 113.3 | L26 T28 L29 T32 L34 V114 L115 N116 I143 | L26-Y118 HydrophobicContact CD2-CD1 4.29Å; L26-Y118 HydrophobicContact CD2-CG 4.4Å; T28-Y118 PolarHBondContact OG1-O 3.5Å; T28-Y118 VanDerWaalsContact OG1-O 3.06Å; L29-Y118 HydrophobicContact CB-CD1 4.07Å; L29-Y118 HydrophobicContact CB-CE1 3.85Å; L29-Y118 HydrophobicContact CD1-CD1 3.76Å; L29-Y118 HydrophobicContact CD1-CD2 4.15Å; L29-Y118 HydrophobicContact CD1-CE1 3.95Å; L29-Y118 HydrophobicContact CD1-CE2 4.27Å; L29-Y118 HydrophobicContact CD1-CG 3.87Å; L29-Y118 HydrophobicContact CG-CD1 4.15Å; L29-Y118 HydrophobicContact CG-CE1 4.36Å; T32-Y118 WeakPolarHBondContact CB-OH 3.48Å; T32-Y118 WeakPolarHBondContact OG1-CE1 3.39Å; T32-Y118 PolarHBondContact OG1-OH 3.46Å; L34-Y118 HydrophobicContact CB-CE1 4.08Å; L34-Y118 HydrophobicContact CD1-CD2 4.27Å; L34-Y118 HydrophobicContact CD1-CE2 3.7Å; L34-Y118 HydrophobicContact CG-CE2 4.48Å; V114-Y118 HydrophobicContact CG1-CE2 3.94Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 2.84Å; L115-Y118 PolarHBondContact O-N 2.76Å; N116-Y118 PolarHBondContact O-N 2.81Å; Y118-I143 HydrophobicContact CE2-CD1 4.24Å |
| 119 | R | 95.1 | Very high | 94 | Very high | 138 Ų | 138 | 43.4 Ų | 43.4 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -82.6 | -36.8 | -178.1 | -69.6 | 170.8 | 174.4 | 171.7 | -2.9 | 112.8 | E20 T25 L115 N116 Y117 | E20-R119 PolarHBondContact O-NH2 3.35Å; T25-R119 HydrophobicContact CG2-CG 3.79Å; L115-R119 WeakPolarHBondContact O-CG 3.37Å; L115-R119 PolarHBondContact O-N 3.18Å; N116-R119 CarbonylContact O-C 3.49Å; N116-R119 WeakPolarHBondContact O-CA 3.31Å; N116-R119 WeakPolarHBondContact O-CB 3.5Å; N116-R119 PolarHBondContact O-N 3.4Å; Y117-R119 PolarHBondContact O-N 3.28Å |
| 120 | T | 94.8 | Very high | 93.7 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -109.9 | -20.4 | -170.2 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | N116 Y117 K122 | N116-T120 WeakPolarHBondContact O-CG2 3.41Å; N116-T120 PolarHBondContact O-N 3.28Å; N116-T120 PolarHBondContact O-OG1 3.11Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.4Å; Y117-T120 PolarHBondContact O-N 2.82Å; T120-K122 PolarHBondContact O-N 3.27Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.32Å |
| 121 | G | 93.9 | Very high | 93.4 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 72 | 8.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y117 | Y117-G121 WeakPolarHBondContact CE2-O 3.41Å; Y117-G121 VanDerWaalsContact O-CA 3.28Å; Y117-G121 WeakPolarHBondContact O-CA 3.44Å; Y117-G121 PolarHBondContact O-N 3.3Å |
| 122 | K | 94.7 | Very high | 93.1 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 48% | 0.478 | 25% | 0.246 | S | C | . | . | trans | -123.4 | 119.7 | -177.6 | -60.2 | -166.2 | 177.6 | -170.2 | 0 | 111.8 | Y117 T120 E149 | Y117-K122 VanDerWaalsContact CD2-C 3.49Å; T120-K122 PolarHBondContact O-N 3.27Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.32Å; K122-E149 HydrophobicContact CB-CG 3.93Å; K122-E149 WeakPolarHBondContact CG-OE1 3.21Å | ||
| 123 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -95.9 | 113.9 | -178.3 | -175.6 | 65.2 | 0 | 0 | 0 | 110.3 | Y117 F134 L138 I143 D147 V148 E149 | Y117-L123 HydrophobicContact CD1-CD1 4.38Å; Y117-L123 HydrophobicContact CD2-CB 3.63Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.93Å; Y117-L123 HydrophobicContact CG-CD1 4.05Å; L123-F134 HydrophobicContact CD1-CZ 4.28Å; L123-F134 HydrophobicContact CG-CZ 4.49Å; L123-L138 HydrophobicContact CD1-CD2 4.2Å; L123-L138 HydrophobicContact CD2-CD1 4.1Å; L123-L138 HydrophobicContact CD2-CD2 3.89Å; L123-I143 HydrophobicContact CD2-CG2 3.86Å; L123-D147 WeakPolarHBondContact CB-O 3.34Å; L123-D147 HydrophobicContact CD2-CB 4.2Å; L123-V148 HydrophobicContact CD2-CG2 3.75Å; L123-V148 HydrophobicContact CG-CG2 4.25Å; L123-E149 WeakPolarHBondContact O-CG 3.24Å; L123-E149 PolarHBondContact O-N 2.86Å |
| 124 | H | 94.9 | Very high | 92.8 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | trans | -108.4 | 150.9 | 174.8 | -67.1 | -68.3 | 0 | 0 | 0 | 110.7 | Y113 C151 C152 | Y113-H124 HydrophobicContact CD1-CB 4.36Å; Y113-H124 WeakPolarHBondContact CD1-O 3.44Å; H124-C151 PolarHBondContact CE1-SG 3.13Å; H124-C151 PolarHBondContact ND1-SG 3.31Å; H124-C151 VanDerWaalsContact ND1-SG 3.4Å; H124-C152 PolarHBondContact ND1-SG 3.42Å | ||
| 125 | C | 92.3 | Very high | 92.6 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 14% | 0.142 | 24% | 0.242 | C | C | . | . | trans | -94.5 | 135.6 | 179.2 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | F134 V148 C152 | C125-F134 HydrophobicContact CB-CE1 4.17Å; C125-F134 WeakPolarHBondContact SG-CE1 3.22Å; C125-V148 VanDerWaalsContact SG-CG1 3.5Å; C125-C152 HydrophobicContact CB-CB 3.97Å; C125-C152 PolarHBondContact N-SG 3.42Å; C125-C152 VanDerWaalsContact N-SG 3.37Å | ||
| 126 | P | 92.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | trans | -63.1 | 137.1 | 168.8 | 13.7 | -18 | 0 | 0 | 0 | 112 | V110 Y113 D128 V129 F134 | V110-P126 HydrophobicContact CG2-CG 4.43Å; Y113-P126 HydrophobicContact CD2-CB 4.06Å; Y113-P126 HydrophobicContact CD2-CG 3.99Å; Y113-P126 HydrophobicContact CE1-CB 4.36Å; Y113-P126 HydrophobicContact CE2-CB 3.55Å; Y113-P126 HydrophobicContact CE2-CG 4.02Å; Y113-P126 HydrophobicContact CG-CG 4.38Å; P126-D128 VanDerWaalsContact C-N 3.35Å; P126-D128 WeakPolarHBondContact CB-OD1 3.44Å; P126-V129 HydrophobicContact CB-CB 4.05Å; P126-V129 HydrophobicContact CB-CG2 3.76Å; P126-V129 HydrophobicContact CG-CB 3.82Å; P126-V129 HydrophobicContact CG-CG1 4.47Å; P126-V129 HydrophobicContact CG-CG2 3.75Å; P126-F134 HydrophobicContact CG-CD2 3.98Å; P126-F134 HydrophobicContact CG-CE2 4.16Å | ||
| 127 | A | 88 | Confident | 92.5 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 69% | 0.686 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 128 | D | 89.3 | Confident | 92.4 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 62% | 0.615 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | -176.2 | 60.5 | -44 | 0 | 0 | 0 | 113.6 | P126 | P126-D128 VanDerWaalsContact C-N 3.35Å; P126-D128 WeakPolarHBondContact CB-OD1 3.44Å |
| 129 | V | 88.9 | Confident | 92.4 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -117.2 | 135.3 | -176.3 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | V110 P126 L133 F134 | V110-V129 HydrophobicContact CG2-CB 4.46Å; V110-V129 HydrophobicContact CG2-CG1 3.83Å; V110-V129 HydrophobicContact CG2-CG2 3.95Å; P126-V129 HydrophobicContact CB-CB 4.05Å; P126-V129 HydrophobicContact CB-CG2 3.76Å; P126-V129 HydrophobicContact CG-CB 3.82Å; P126-V129 HydrophobicContact CG-CG1 4.47Å; P126-V129 HydrophobicContact CG-CG2 3.75Å; V129-L133 HydrophobicContact CG1-CB 4.08Å; V129-L133 HydrophobicContact CG1-CD2 3.83Å; V129-L133 HydrophobicContact CG1-CG 3.91Å; V129-F134 HydrophobicContact CG1-CB 4.29Å |
| 130 | C | 87.7 | Confident | 92.4 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 11% | 0.108 | 26% | 0.263 | C | S | . | . | trans | -67.4 | 145.3 | 175.2 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | L133 F134 C575 | C130-L133 PolarHBondContact O-N 2.96Å; C130-L133 WeakPolarHBondContact SG-CB 3.37Å; C130-F134 PolarHBondContact O-N 3.4Å; C130-F134 VanDerWaalsContact O-N 3.13Å; C130-C575 HydrophobicContact CB-CB 3.66Å; C130-C575 WeakPolarHBondContact CB-SG 3.34Å; C130-C575 WeakPolarHBondContact SG-CB 3.29Å; C130-C575 CovalentContact SG-SG 2.06Å; C130-C575 PolarHBondContact SG-SG 2.82Å | ||
| 131 | G | 88.5 | Confident | 92.4 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -48.3 | -48.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L133 F134 E135 | G131-L133 PolarHBondContact O-N 3.46Å; G131-F134 WeakPolarHBondContact O-CB 3.41Å; G131-F134 PolarHBondContact O-N 3.15Å; G131-F134 VanDerWaalsContact O-N 3.12Å; G131-E135 PolarHBondContact O-N 2.94Å |
| 132 | P | 88.6 | Confident | 92.4 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 179.9 | -24.8 | 33.9 | 0 | 0 | 0 | 113.4 | F134 E135 E136 H159 | P132-F134 VanDerWaalsContact C-N 3.3Å; P132-F134 PolarHBondContact O-N 2.85Å; P132-E135 PolarHBondContact O-N 2.98Å; P132-E136 WeakPolarHBondContact O-CG 3.38Å; P132-E136 PolarHBondContact O-N 3.47Å; P132-H159 HydrophobicContact CG-CB 4.34Å |
| 133 | L | 91.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 176.3 | 174.6 | 59.5 | 0 | 0 | 0 | 111.4 | V129 C130 G131 E137 | V129-L133 HydrophobicContact CG1-CB 4.08Å; V129-L133 HydrophobicContact CG1-CD2 3.83Å; V129-L133 HydrophobicContact CG1-CG 3.91Å; C130-L133 PolarHBondContact O-N 2.96Å; C130-L133 WeakPolarHBondContact SG-CB 3.37Å; G131-L133 PolarHBondContact O-N 3.46Å; L133-E137 WeakPolarHBondContact O-CG 3.42Å; L133-E137 PolarHBondContact O-N 3.06Å |
| 134 | F | 93.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 175.6 | -171.5 | -115.7 | 0 | 0 | 0 | 111.7 | V110 L123 C125 P126 V129 C130 G131 P132 E137 L138 V148 Y156 | V110-F134 HydrophobicContact CG1-CD2 3.61Å; V110-F134 HydrophobicContact CG1-CE2 3.83Å; V110-F134 HydrophobicContact CG2-CD2 4.41Å; L123-F134 HydrophobicContact CD1-CZ 4.28Å; L123-F134 HydrophobicContact CG-CZ 4.49Å; C125-F134 HydrophobicContact CB-CE1 4.17Å; C125-F134 WeakPolarHBondContact SG-CE1 3.22Å; P126-F134 HydrophobicContact CG-CD2 3.98Å; P126-F134 HydrophobicContact CG-CE2 4.16Å; V129-F134 HydrophobicContact CG1-CB 4.29Å; C130-F134 PolarHBondContact O-N 3.4Å; C130-F134 VanDerWaalsContact O-N 3.13Å; G131-F134 WeakPolarHBondContact O-CB 3.41Å; G131-F134 PolarHBondContact O-N 3.15Å; G131-F134 VanDerWaalsContact O-N 3.12Å; P132-F134 VanDerWaalsContact C-N 3.3Å; P132-F134 PolarHBondContact O-N 2.85Å; F134-E137 PolarHBondContact O-N 3.45Å; F134-L138 HydrophobicContact CD1-CD1 3.97Å; F134-L138 HydrophobicContact CD1-CG 4.27Å; F134-L138 HydrophobicContact CE1-CD1 3.61Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.02Å; F134-L138 HydrophobicContact CE2-CD2 4.3Å; F134-L138 HydrophobicContact CZ-CD1 4.16Å; F134-L138 HydrophobicContact CZ-CD2 3.93Å; F134-L138 HydrophobicContact CZ-CG 4.17Å; F134-L138 WeakPolarHBondContact O-CG 3.45Å; F134-L138 PolarHBondContact O-N 3.14Å; F134-V148 HydrophobicContact CE1-CG2 4.23Å; F134-Y156 AromaticContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CE2 4.05Å |
| 135 | E | 92 | Very high | 92 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 174.6 | -174.9 | 176.4 | 153.9 | 0 | 0 | 112.1 | G131 P132 E137 L138 A139 Y156 H159 | G131-E135 PolarHBondContact O-N 2.94Å; P132-E135 PolarHBondContact O-N 2.98Å; E135-E137 VanDerWaalsContact C-N 3.25Å; E135-E137 PolarHBondContact O-N 3.19Å; E135-L138 PolarHBondContact O-N 2.99Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.19Å; E135-Y156 HydrophobicContact CB-CE2 4.31Å; E135-Y156 PolarHBondContact OE2-OH 3.3Å; E135-H159 IonicContact OE2-CE1 3.68Å; E135-H159 IonicContact OE2-NE2 2.86Å; E135-H159 PolarHBondContact OE2-NE2 3.06Å |
| 136 | E | 93.4 | Very high | 92 | Very high | 119 Ų | 119 | 43 Ų | 43 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59 | -35.1 | 175.5 | -74.7 | -178 | -179.2 | 0 | 0 | 112.9 | R106 P132 F140 | R106-E136 PolarHBondContact NH2-O 3.05Å; P132-E136 WeakPolarHBondContact O-CG 3.38Å; P132-E136 PolarHBondContact O-N 3.47Å; E136-F140 WeakPolarHBondContact O-CB 3.3Å; E136-F140 PolarHBondContact O-N 3.42Å |
| 137 | E | 95 | Very high | 92 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.1 | -48.6 | 174.3 | -72.9 | -66.4 | 133.8 | 0 | 0 | 111.4 | R106 H107 V110 L133 F134 E135 A139 F140 W141 | R106-E137 IonicContact CZ-OE1 3.88Å; R106-E137 IonicContact NE-OE1 3.9Å; R106-E137 PolarHBondContact NE-OE1 2.78Å; R106-E137 IonicContact NE-OE2 3.22Å; R106-E137 IonicContact NH2-OE1 3.03Å; R106-E137 PolarHBondContact NH2-OE1 2.78Å; R106-E137 IonicContact NH2-OE2 3.79Å; H107-E137 HydrophobicContact CB-CG 4.42Å; V110-E137 HydrophobicContact CB-CB 4.39Å; V110-E137 HydrophobicContact CB-CG 4.06Å; V110-E137 HydrophobicContact CG1-CB 3.53Å; V110-E137 HydrophobicContact CG1-CG 3.76Å; V110-E137 HydrophobicContact CG2-CG 4.3Å; L133-E137 WeakPolarHBondContact O-CG 3.42Å; L133-E137 PolarHBondContact O-N 3.06Å; F134-E137 PolarHBondContact O-N 3.45Å; E135-E137 VanDerWaalsContact C-N 3.25Å; E135-E137 PolarHBondContact O-N 3.19Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.02Å; E137-F140 WeakPolarHBondContact O-CB 3.42Å; E137-F140 PolarHBondContact O-N 3.31Å; E137-F140 VanDerWaalsContact O-N 3.08Å; E137-W141 PolarHBondContact O-N 3.05Å; E137-W141 PolarHBondContact OE2-NE1 2.88Å |
| 138 | L | 94.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 177.5 | -67.7 | -175.1 | 0 | 0 | 0 | 111.8 | L123 F134 E135 F140 W141 G142 I143 V148 | L123-L138 HydrophobicContact CD1-CD2 4.2Å; L123-L138 HydrophobicContact CD2-CD1 4.1Å; L123-L138 HydrophobicContact CD2-CD2 3.89Å; F134-L138 HydrophobicContact CD1-CD1 3.97Å; F134-L138 HydrophobicContact CD1-CG 4.27Å; F134-L138 HydrophobicContact CE1-CD1 3.61Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.02Å; F134-L138 HydrophobicContact CE2-CD2 4.3Å; F134-L138 HydrophobicContact CZ-CD1 4.16Å; F134-L138 HydrophobicContact CZ-CD2 3.93Å; F134-L138 HydrophobicContact CZ-CG 4.17Å; F134-L138 WeakPolarHBondContact O-CG 3.45Å; F134-L138 PolarHBondContact O-N 3.14Å; E135-L138 PolarHBondContact O-N 2.99Å; L138-F140 VanDerWaalsContact C-N 3.29Å; L138-F140 PolarHBondContact O-N 3.46Å; L138-W141 PolarHBondContact O-N 2.62Å; L138-G142 PolarHBondContact O-N 3.01Å; L138-I143 HydrophobicContact CD2-CB 4.18Å; L138-I143 HydrophobicContact CD2-CD1 4.49Å; L138-I143 HydrophobicContact CD2-CG2 4.09Å; L138-I143 PolarHBondContact O-N 3.19Å; L138-V148 HydrophobicContact CD1-CG2 4.38Å |
| 139 | A | 94.7 | Very high | 92.6 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 60% | 0.603 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59.5 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E135 E137 G142 | E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.19Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.02Å; A139-G142 PolarHBondContact O-N 3.45Å |
| 140 | F | 95.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 175.2 | 172.8 | -104.7 | 0 | 0 | 0 | 112.7 | R33 F104 R106 E136 E137 L138 G142 | R33-F140 PolarHBondContact NE-O 3.26Å; R33-F140 PolarHBondContact NH2-O 3.18Å; F104-F140 HydrophobicContact CD1-CE1 4.25Å; F104-F140 HydrophobicContact CD1-CZ 4.15Å; R106-F140 HydrophobicContact CG-CD1 4.25Å; R106-F140 HydrophobicContact CG-CE1 3.77Å; R106-F140 HydrophobicContact CG-CZ 4.11Å; R106-F140 VanDerWaalsContact CZ-CB 3.47Å; R106-F140 VanDerWaalsContact NH1-CB 3.25Å; R106-F140 VanDerWaalsContact NH2-CB 3.27Å; E136-F140 WeakPolarHBondContact O-CB 3.3Å; E136-F140 PolarHBondContact O-N 3.42Å; E137-F140 WeakPolarHBondContact O-CB 3.42Å; E137-F140 PolarHBondContact O-N 3.31Å; E137-F140 VanDerWaalsContact O-N 3.08Å; L138-F140 VanDerWaalsContact C-N 3.29Å; L138-F140 PolarHBondContact O-N 3.46Å; F140-G142 PolarHBondContact O-N 3.17Å |
| 141 | W | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.1 | -9.6 | -179.5 | -63 | 112.5 | 0 | 0 | 0 | 113.1 | V14 R33 L34 F104 R106 F111 V114 E137 L138 I143 | V14-W141 HydrophobicContact CG1-CZ2 4.41Å; V14-W141 HydrophobicContact CG2-CH2 4.37Å; R33-W141 WeakPolarHBondContact CB-O 3.4Å; R33-W141 PolarHBondContact N-O 3.17Å; L34-W141 HydrophobicContact CD1-CE3 4.47Å; L34-W141 HydrophobicContact CD2-CE3 4.07Å; L34-W141 HydrophobicContact CD2-CZ3 3.67Å; L34-W141 HydrophobicContact CG-CE3 4.04Å; L34-W141 HydrophobicContact CG-CZ3 4.16Å; F104-W141 HydrophobicContact CB-CH2 4.04Å; F104-W141 AromaticContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CZ3 4.04Å; F104-W141 AromaticContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CZ3 4.4Å; F104-W141 HydrophobicContact CE1-CH2 4.22Å; F104-W141 AromaticContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE2-CH2 4.33Å; F104-W141 HydrophobicContact CE2-CZ3 4.37Å; F104-W141 AromaticContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CZ3 4.24Å; F104-W141 HydrophobicContact CZ-CH2 4.46Å; F104-W141 HydrophobicContact CZ-CZ3 4.16Å; R106-W141 HydrophobicContact CB-CZ2 4.31Å; R106-W141 HydrophobicContact CG-CZ2 4.42Å; F111-W141 HydrophobicContact CD2-CD2 4.26Å; F111-W141 AromaticContact CD2-CE2 3.6Å; F111-W141 AromaticContact CD2-CH2 3.64Å; F111-W141 HydrophobicContact CD2-CH2 3.64Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.29Å; F111-W141 HydrophobicContact CE2-CD2 4.29Å; F111-W141 HydrophobicContact CE2-CE3 4.17Å; F111-W141 AromaticContact CE2-CH2 3.47Å; F111-W141 HydrophobicContact CE2-CH2 3.47Å; F111-W141 VanDerWaalsContact CE2-CH2 3.47Å; F111-W141 AromaticContact CE2-CZ2 3.63Å; F111-W141 HydrophobicContact CE2-CZ2 3.63Å; F111-W141 AromaticContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CG-CZ2 4.29Å; V114-W141 HydrophobicContact CG1-CB 4.19Å; V114-W141 HydrophobicContact CG1-CD2 4.28Å; V114-W141 HydrophobicContact CG1-CG 3.91Å; V114-W141 HydrophobicContact CG2-CG 4.27Å; E137-W141 PolarHBondContact O-N 3.05Å; E137-W141 PolarHBondContact OE2-NE1 2.88Å; L138-W141 PolarHBondContact O-N 2.62Å; W141-I143 HydrophobicContact CB-CD1 4.03Å; W141-I143 HydrophobicContact CB-CG1 4.33Å |
| 142 | G | 93.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 35.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L138 A139 F140 | L138-G142 PolarHBondContact O-N 3.01Å; A139-G142 PolarHBondContact O-N 3.45Å; F140-G142 PolarHBondContact O-N 3.17Å |
| 143 | I | 95.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | trans | -103.7 | 135 | 176.4 | -64.5 | 165.3 | 0 | 0 | 0 | 107.8 | T32 V114 Y117 Y118 L123 L138 W141 | T32-I143 HydrophobicContact CG2-CG1 4.07Å; V114-I143 HydrophobicContact CB-CD1 4.46Å; V114-I143 HydrophobicContact CG1-CD1 3.71Å; V114-I143 HydrophobicContact CG2-CD1 4.39Å; Y117-I143 HydrophobicContact CD1-CD1 3.98Å; Y117-I143 HydrophobicContact CD1-CG1 4.36Å; Y117-I143 HydrophobicContact CD1-CG2 4.08Å; Y117-I143 HydrophobicContact CE1-CD1 4.5Å; Y117-I143 HydrophobicContact CE1-CG1 4.39Å; Y117-I143 HydrophobicContact CE1-CG2 3.76Å; Y118-I143 HydrophobicContact CE2-CD1 4.24Å; L123-I143 HydrophobicContact CD2-CG2 3.86Å; L138-I143 HydrophobicContact CD2-CB 4.18Å; L138-I143 HydrophobicContact CD2-CD1 4.49Å; L138-I143 HydrophobicContact CD2-CG2 4.09Å; L138-I143 PolarHBondContact O-N 3.19Å; W141-I143 HydrophobicContact CB-CD1 4.03Å; W141-I143 HydrophobicContact CB-CG1 4.33Å | ||
| 144 | D | 92.4 | Very high | 93.1 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | trans | -74.1 | 136 | 179.9 | -163 | -58.8 | 0 | 0 | 0 | 109.8 | T146 D147 | D144-T146 VanDerWaalsContact CG-OG1 3.25Å; D144-T146 PolarHBondContact O-N 2.93Å; D144-T146 VanDerWaalsContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CB 3.41Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.48Å; D144-T146 PolarHBondContact OD1-N 3.23Å; D144-T146 PolarHBondContact OD1-OG1 3.3Å; D144-D147 WeakPolarHBondContact O-CB 3.48Å; D144-D147 PolarHBondContact O-N 2.8Å; D144-D147 VanDerWaalsContact O-N 3.14Å | ||
| 145 | E | 90.5 | Very high | 92.8 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -61.4 | -25.3 | 177.5 | 65.5 | 179.9 | -143.3 | 0 | 0 | 112.6 | D147 V148 Y156 R160 | E145-D147 PolarHBondContact O-N 3.21Å; E145-V148 VanDerWaalsContact O-CG2 3.3Å; E145-V148 WeakPolarHBondContact O-CG2 3.48Å; E145-V148 PolarHBondContact O-N 3.18Å; E145-Y156 HydrophobicContact CB-CE1 3.96Å; E145-Y156 WeakPolarHBondContact CB-OH 3.35Å; E145-Y156 PolarHBondContact OE2-OH 3.23Å; E145-R160 IonicContact OE1-CZ 3.89Å; E145-R160 IonicContact OE1-NH1 3.24Å; E145-R160 PolarHBondContact OE1-NH1 3.18Å |
| 146 | T | 91.6 | Very high | 92.7 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 56% | 0.564 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -72 | -11.6 | 178.9 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | D144 V148 | D144-T146 VanDerWaalsContact CG-OG1 3.25Å; D144-T146 PolarHBondContact O-N 2.93Å; D144-T146 VanDerWaalsContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CB 3.41Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.48Å; D144-T146 PolarHBondContact OD1-N 3.23Å; D144-T146 PolarHBondContact OD1-OG1 3.3Å; T146-V148 PolarHBondContact O-N 3.36Å |
| 147 | D | 93.2 | Very high | 92.4 | Very high | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -76 | -8.6 | 175 | -68.1 | -35.3 | 0 | 0 | 0 | 113.1 | Y117 L123 D144 E145 E149 | Y117-D147 HydrophobicContact CE2-CB 4.41Å; Y117-D147 PolarHBondContact OH-OD2 2.92Å; Y117-D147 VanDerWaalsContact OH-OD2 3.12Å; L123-D147 WeakPolarHBondContact CB-O 3.34Å; L123-D147 HydrophobicContact CD2-CB 4.2Å; D144-D147 WeakPolarHBondContact O-CB 3.48Å; D144-D147 PolarHBondContact O-N 2.8Å; D144-D147 VanDerWaalsContact O-N 3.14Å; E145-D147 PolarHBondContact O-N 3.21Å; D147-E149 PolarHBondContact O-N 3.39Å |
| 148 | V | 94.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -62.2 | 127.7 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L123 C125 F134 L138 E145 T146 C152 W153 Y156 | L123-V148 HydrophobicContact CD2-CG2 3.75Å; L123-V148 HydrophobicContact CG-CG2 4.25Å; C125-V148 VanDerWaalsContact SG-CG1 3.5Å; F134-V148 HydrophobicContact CE1-CG2 4.23Å; L138-V148 HydrophobicContact CD1-CG2 4.38Å; E145-V148 VanDerWaalsContact O-CG2 3.3Å; E145-V148 WeakPolarHBondContact O-CG2 3.48Å; E145-V148 PolarHBondContact O-N 3.18Å; T146-V148 PolarHBondContact O-N 3.36Å; V148-C152 HydrophobicContact CG1-CB 3.81Å; V148-W153 HydrophobicContact CB-CE3 4.14Å; V148-W153 HydrophobicContact CG1-CE3 4.37Å; V148-Y156 HydrophobicContact CG2-CD1 4.44Å |
| 149 | E | 94.8 | Very high | 91.2 | Very high | 52 Ų | 52 | 55 Ų | 55 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | trans | -61.5 | 148.1 | -178.7 | -74.1 | -73.9 | 151.7 | 0 | 0 | 112.8 | K122 L123 D147 C151 C152 W153 | K122-E149 HydrophobicContact CB-CG 3.93Å; K122-E149 WeakPolarHBondContact CG-OE1 3.21Å; L123-E149 WeakPolarHBondContact O-CG 3.24Å; L123-E149 PolarHBondContact O-N 2.86Å; D147-E149 PolarHBondContact O-N 3.39Å; E149-C151 PolarHBondContact O-N 3.34Å; E149-C152 PolarHBondContact O-N 3.19Å; E149-W153 PolarHBondContact O-N 3.33Å | ||
| 150 | P | 93.7 | Very high | 90.7 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 69% | 0.688 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.1 | -31.2 | -177.5 | -28 | 35 | 0 | 0 | 0 | 114.9 | C152 | P150-C152 PolarHBondContact O-N 3.26Å |
| 151 | C | 92.7 | Very high | 90 | Very high | 93 Ų | 93 | 55.8 Ų | 55.8 | 63% | 0.628 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.5 | -21 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | H124 E149 | H124-C151 PolarHBondContact CE1-SG 3.13Å; H124-C151 PolarHBondContact ND1-SG 3.31Å; H124-C151 VanDerWaalsContact ND1-SG 3.4Å; E149-C151 PolarHBondContact O-N 3.34Å |
| 152 | C | 92.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -106.2 | -16.6 | 178.3 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | H124 C125 V148 E149 P150 M154 T155 Y156 | H124-C152 PolarHBondContact ND1-SG 3.42Å; C125-C152 HydrophobicContact CB-CB 3.97Å; C125-C152 PolarHBondContact N-SG 3.42Å; C125-C152 VanDerWaalsContact N-SG 3.37Å; V148-C152 HydrophobicContact CG1-CB 3.81Å; E149-C152 PolarHBondContact O-N 3.19Å; P150-C152 PolarHBondContact O-N 3.26Å; C152-M154 VanDerWaalsContact C-N 3.35Å; C152-M154 PolarHBondContact O-N 3.37Å; C152-T155 PolarHBondContact O-N 2.9Å; C152-T155 VanDerWaalsContact O-N 3.13Å; C152-Y156 PolarHBondContact O-N 3.3Å |
| 153 | W | 90.7 | Very high | 88.3 | Confident | 74 Ų | 74 | 57 Ų | 57 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53.8 | -46.1 | -175.7 | -176.7 | -105.5 | 0 | 0 | 0 | 113.4 | V148 E149 T155 Y156 R157 | V148-W153 HydrophobicContact CB-CE3 4.14Å; V148-W153 HydrophobicContact CG1-CE3 4.37Å; E149-W153 PolarHBondContact O-N 3.33Å; W153-T155 PolarHBondContact O-N 3.23Å; W153-Y156 HydrophobicContact CE3-CD1 4.31Å; W153-Y156 HydrophobicContact CZ3-CD1 4.19Å; W153-Y156 HydrophobicContact CZ3-CE1 4.41Å; W153-Y156 PolarHBondContact O-N 2.97Å; W153-R157 VanDerWaalsContact O-CB 3.27Å; W153-R157 WeakPolarHBondContact O-CB 3.46Å; W153-R157 PolarHBondContact O-N 2.92Å |
| 154 | M | 86.9 | Confident | 87.4 | Confident | 121 Ų | 121 | 62 Ų | 62 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 179.1 | -67.5 | -57.3 | -62.4 | 0 | 0 | 111.7 | C152 R157 Q158 | C152-M154 VanDerWaalsContact C-N 3.35Å; C152-M154 PolarHBondContact O-N 3.37Å; M154-R157 PolarHBondContact O-N 3.37Å; M154-Q158 VanDerWaalsContact O-CG 3.29Å; M154-Q158 WeakPolarHBondContact O-CG 3.41Å; M154-Q158 PolarHBondContact O-N 2.95Å |
| 155 | T | 86.6 | Confident | 86.3 | Confident | 59 Ų | 59 | 58 Ų | 58 | 36% | 0.362 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 178.8 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | C152 W153 | C152-T155 PolarHBondContact O-N 2.9Å; C152-T155 VanDerWaalsContact O-N 3.13Å; W153-T155 PolarHBondContact O-N 3.23Å |
| 156 | Y | 89.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 174.6 | 174.5 | -116.9 | 0 | 0 | 0 | 111.2 | F134 E135 E145 V148 C152 W153 Q158 H159 | F134-Y156 AromaticContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CE2 4.05Å; E135-Y156 HydrophobicContact CB-CE2 4.31Å; E135-Y156 PolarHBondContact OE2-OH 3.3Å; E145-Y156 HydrophobicContact CB-CE1 3.96Å; E145-Y156 WeakPolarHBondContact CB-OH 3.35Å; E145-Y156 PolarHBondContact OE2-OH 3.23Å; V148-Y156 HydrophobicContact CG2-CD1 4.44Å; C152-Y156 PolarHBondContact O-N 3.3Å; W153-Y156 HydrophobicContact CE3-CD1 4.31Å; W153-Y156 HydrophobicContact CZ3-CD1 4.19Å; W153-Y156 HydrophobicContact CZ3-CE1 4.41Å; W153-Y156 PolarHBondContact O-N 2.97Å; Y156-Q158 VanDerWaalsContact C-N 3.33Å; Y156-Q158 PolarHBondContact O-N 3.44Å; Y156-H159 PolarHBondContact O-CE1 2.9Å; Y156-H159 PolarHBondContact O-ND1 3.14Å |
| 157 | R | 87.9 | Confident | 84.4 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.4 | -21.3 | -175.9 | -165 | -178.3 | 174 | 99.4 | 1.9 | 114.2 | W153 M154 H159 R160 D161 | W153-R157 VanDerWaalsContact O-CB 3.27Å; W153-R157 WeakPolarHBondContact O-CB 3.46Å; W153-R157 PolarHBondContact O-N 2.92Å; M154-R157 PolarHBondContact O-N 3.37Å; R157-H159 PolarHBondContact O-N 3.48Å; R157-R160 HydrophobicContact CG-CB 4.49Å; R157-R160 WeakPolarHBondContact O-CA 3.37Å; R157-R160 PolarHBondContact O-N 3.36Å; R157-D161 IonicContact CZ-OD1 2.8Å; R157-D161 IonicContact NE-OD1 2.78Å; R157-D161 PolarHBondContact NE-OD1 3.5Å; R157-D161 IonicContact NH2-OD1 3.67Å; R157-D161 PolarHBondContact O-N 3.46Å |
| 158 | Q | 83.2 | Confident | 83.1 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -48.3 | -36.8 | 178.9 | -86.2 | 165.2 | 21.7 | 0 | 0 | 113.8 | M154 Y156 A162 | M154-Q158 VanDerWaalsContact O-CG 3.29Å; M154-Q158 WeakPolarHBondContact O-CG 3.41Å; M154-Q158 PolarHBondContact O-N 2.95Å; Y156-Q158 VanDerWaalsContact C-N 3.33Å; Y156-Q158 PolarHBondContact O-N 3.44Å; Q158-A162 WeakPolarHBondContact O-CB 3.4Å; Q158-A162 PolarHBondContact O-N 2.93Å |
| 159 | H | 81.1 | Confident | 81.6 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 9% | 0.088 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 177.9 | 83.3 | -85.3 | 0 | 0 | 0 | 112.2 | P132 E135 Y156 R157 A162 E163 | P132-H159 HydrophobicContact CG-CB 4.34Å; E135-H159 IonicContact OE2-CE1 3.68Å; E135-H159 IonicContact OE2-NE2 2.86Å; E135-H159 PolarHBondContact OE2-NE2 3.06Å; Y156-H159 PolarHBondContact O-CE1 2.9Å; Y156-H159 PolarHBondContact O-ND1 3.14Å; R157-H159 PolarHBondContact O-N 3.48Å; H159-A162 WeakPolarHBondContact O-CB 3.47Å; H159-A162 PolarHBondContact O-N 2.73Å; H159-E163 WeakPolarHBondContact O-CB 3.2Å; H159-E163 WeakPolarHBondContact O-CG 3.03Å; H159-E163 PolarHBondContact O-N 3.12Å |
| 160 | R | 83.8 | Confident | 80 | Confident | 75 Ų | 75 | 58 Ų | 58 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 176.5 | -66.5 | 179.3 | 68.4 | 174.2 | 14 | 111.7 | E145 R157 A162 E163 E164 | E145-R160 IonicContact OE1-CZ 3.89Å; E145-R160 IonicContact OE1-NH1 3.24Å; E145-R160 PolarHBondContact OE1-NH1 3.18Å; R157-R160 HydrophobicContact CG-CB 4.49Å; R157-R160 WeakPolarHBondContact O-CA 3.37Å; R157-R160 PolarHBondContact O-N 3.36Å; R160-A162 VanDerWaalsContact C-N 3.25Å; R160-A162 PolarHBondContact O-N 3.27Å; R160-E163 PolarHBondContact O-N 3.41Å; R160-E164 WeakPolarHBondContact O-CB 3.37Å; R160-E164 PolarHBondContact O-N 3.42Å |
| 161 | D | 82.2 | Confident | 77.9 | Confident | 59 Ų | 59 | 57 Ų | 57 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 175.9 | -63.1 | -23.4 | 0 | 0 | 0 | 110 | R157 A165 | R157-D161 IonicContact CZ-OD1 2.8Å; R157-D161 IonicContact NE-OD1 2.78Å; R157-D161 PolarHBondContact NE-OD1 3.5Å; R157-D161 IonicContact NH2-OD1 3.67Å; R157-D161 PolarHBondContact O-N 3.46Å; D161-A165 WeakPolarHBondContact O-CB 3.46Å; D161-A165 PolarHBondContact O-N 3.13Å |
| 162 | A | 75.9 | Confident | 75.6 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q158 H159 R160 A165 L166 L482 | Q158-A162 WeakPolarHBondContact O-CB 3.4Å; Q158-A162 PolarHBondContact O-N 2.93Å; H159-A162 WeakPolarHBondContact O-CB 3.47Å; H159-A162 PolarHBondContact O-N 2.73Å; R160-A162 VanDerWaalsContact C-N 3.25Å; R160-A162 PolarHBondContact O-N 3.27Å; A162-A165 WeakPolarHBondContact O-CB 3.33Å; A162-A165 PolarHBondContact O-N 3.24Å; A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 WeakPolarHBondContact O-CG 3.33Å; A162-L166 PolarHBondContact O-N 3.12Å; A162-L482 HydrophobicContact CB-CD1 3.8Å; A162-L482 HydrophobicContact CB-CD2 3.81Å; A162-L482 HydrophobicContact CB-CG 4.48Å |
| 163 | E | 75.3 | Confident | 73.2 | Confident | 58 Ų | 58 | 59 Ų | 59 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.2 | -78.1 | 175.8 | -177.3 | 0 | 0 | 112.2 | H159 R160 L166 D167 | H159-E163 WeakPolarHBondContact O-CB 3.2Å; H159-E163 WeakPolarHBondContact O-CG 3.03Å; H159-E163 PolarHBondContact O-N 3.12Å; R160-E163 PolarHBondContact O-N 3.41Å; E163-L166 CarbonylContact O-C 3.38Å; E163-L166 WeakPolarHBondContact O-CA 3.47Å; E163-L166 WeakPolarHBondContact O-CB 3.39Å; E163-L166 PolarHBondContact O-N 3.17Å; E163-L166 VanDerWaalsContact O-N 3.08Å; E163-D167 WeakPolarHBondContact O-CB 3.48Å; E163-D167 PolarHBondContact O-N 3.01Å |
| 164 | E | 76.5 | Confident | 70.7 | Confident | 116 Ų | 116 | 63.1 Ų | 63.1 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.3 | -175.9 | 171.5 | -174.9 | 0 | 0 | 110.8 | R160 L166 D167 I168 | R160-E164 WeakPolarHBondContact O-CB 3.37Å; R160-E164 PolarHBondContact O-N 3.42Å; E164-L166 PolarHBondContact O-N 3.27Å; E164-D167 PolarHBondContact O-N 3.37Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 2.88Å |
| 165 | A | 70.4 | Confident | 68.1 | Low | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.7 | -39.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D161 A162 F169 Y479 L482 | D161-A165 WeakPolarHBondContact O-CB 3.46Å; D161-A165 PolarHBondContact O-N 3.13Å; A162-A165 WeakPolarHBondContact O-CB 3.33Å; A162-A165 PolarHBondContact O-N 3.24Å; A165-F169 WeakPolarHBondContact O-CD2 3.34Å; A165-F169 WeakPolarHBondContact O-CE2 3.34Å; A165-Y479 HydrophobicContact CB-CD1 3.67Å; A165-Y479 HydrophobicContact CB-CE1 3.15Å; A165-L482 HydrophobicContact CB-CD1 4.02Å |
| 166 | L | 71.3 | Confident | 65.5 | Low | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.7 | -32.9 | 179.1 | -80.9 | -176.1 | 0 | 0 | 0 | 113 | A162 E163 E164 F169 E170 L482 K486 F576 | A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 WeakPolarHBondContact O-CG 3.33Å; A162-L166 PolarHBondContact O-N 3.12Å; E163-L166 CarbonylContact O-C 3.38Å; E163-L166 WeakPolarHBondContact O-CA 3.47Å; E163-L166 WeakPolarHBondContact O-CB 3.39Å; E163-L166 PolarHBondContact O-N 3.17Å; E163-L166 VanDerWaalsContact O-N 3.08Å; E164-L166 PolarHBondContact O-N 3.27Å; L166-F169 HydrophobicContact CD2-CD2 4.25Å; L166-F169 WeakPolarHBondContact O-CB 3.47Å; L166-F169 PolarHBondContact O-N 3.43Å; L166-E170 PolarHBondContact O-N 3.05Å; L166-L482 HydrophobicContact CD1-CD2 4.34Å; L166-L482 HydrophobicContact CD2-CB 3.71Å; L166-L482 HydrophobicContact CG-CB 4.23Å; L166-K486 HydrophobicContact CB-CD 4.49Å; L166-K486 VanDerWaalsContact CB-CE 3.42Å; L166-K486 VanDerWaalsContact CB-NZ 3.35Å; L166-K486 HydrophobicContact CD1-CD 4.42Å; L166-K486 HydrophobicContact CD1-CG 4.28Å; L166-K486 HydrophobicContact CD2-CD 3.48Å; L166-K486 VanDerWaalsContact CD2-CD 3.48Å; L166-K486 HydrophobicContact CD2-CG 3.66Å; L166-K486 HydrophobicContact CG-CD 4.28Å; L166-K486 PolarHBondContact O-NZ 2.66Å; L166-F576 HydrophobicContact CD1-CE2 4.27Å |
| 167 | D | 69.7 | Low | 62.6 | Low | 79 Ų | 79 | 62.3 Ų | 62.3 | 42% | 0.422 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -32.5 | 174.4 | -80.2 | -0.9 | 0 | 0 | 0 | 111.5 | E163 E164 F169 E170 T171 | E163-D167 WeakPolarHBondContact O-CB 3.48Å; E163-D167 PolarHBondContact O-N 3.01Å; E164-D167 PolarHBondContact O-N 3.37Å; D167-F169 PolarHBondContact O-N 3.4Å; D167-E170 PolarHBondContact O-N 3.47Å; D167-T171 PolarHBondContact O-N 2.81Å; D167-T171 VanDerWaalsContact O-N 3.09Å; D167-T171 PolarHBondContact O-OG1 3Å |
| 168 | I | 66.3 | Low | 60.1 | Low | 50 Ų | 50 | 61.7 Ų | 61.7 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -34.3 | 170.7 | -70.6 | 166.2 | 0 | 0 | 0 | 110.9 | E164 E170 T171 H373 | E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 2.88Å; I168-E170 VanDerWaalsContact C-N 3.33Å; I168-T171 PolarHBondContact O-OG1 3.24Å; I168-H373 HydrophobicContact CG2-CB 4.19Å; I168-H373 WeakPolarHBondContact CG2-ND1 3.22Å; I168-H373 PolarHBondContact O-CE1 3.37Å |
| 169 | F | 62.9 | Low | 58 | Low | 27 Ų | 27 | 64.4 Ų | 64.4 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21 | 174 | -67.5 | -62 | 0 | 0 | 0 | 113.7 | A165 L166 D167 V370 H373 Y479 A483 | A165-F169 WeakPolarHBondContact O-CD2 3.34Å; A165-F169 WeakPolarHBondContact O-CE2 3.34Å; L166-F169 HydrophobicContact CD2-CD2 4.25Å; L166-F169 WeakPolarHBondContact O-CB 3.47Å; L166-F169 PolarHBondContact O-N 3.43Å; D167-F169 PolarHBondContact O-N 3.4Å; F169-V370 HydrophobicContact CE1-CB 4.31Å; F169-V370 HydrophobicContact CE1-CG2 3.94Å; F169-V370 HydrophobicContact CZ-CB 4.47Å; F169-V370 HydrophobicContact CZ-CG1 4.2Å; F169-V370 HydrophobicContact CZ-CG2 4.22Å; F169-H373 HydrophobicContact CD1-CB 4.31Å; F169-H373 AromaticContact CD1-CD2 3.59Å; F169-H373 HydrophobicContact CE1-CB 3.6Å; F169-H373 AromaticContact CE1-CD2 3.57Å; F169-H373 AromaticContact CE1-CG 3.78Å; F169-H373 HydrophobicContact CZ-CB 4.07Å; F169-Y479 HydrophobicContact CE2-CD1 4.02Å; F169-Y479 HydrophobicContact CZ-CD1 4.18Å; F169-A483 HydrophobicContact CE2-CB 4.35Å; F169-A483 HydrophobicContact CZ-CB 4.42Å |
| 170 | E | 61.3 | Low | 55.8 | Low | 104 Ų | 104 | 66.1 Ų | 66.1 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -13.1 | 178 | -72.2 | -178 | -168.7 | 0 | 0 | 113.2 | L166 D167 I168 D173 K486 | L166-E170 PolarHBondContact O-N 3.05Å; D167-E170 PolarHBondContact O-N 3.47Å; I168-E170 VanDerWaalsContact C-N 3.33Å; E170-D173 PolarHBondContact O-N 3.02Å; E170-K486 IonicContact OE1-NZ 3.87Å; E170-K486 PolarHBondContact OE1-NZ 2.86Å |
| 171 | T | 50.3 | Low | 53.8 | Low | 85 Ų | 85 | 66.2 Ų | 66.2 | 52% | 0.521 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 79.6 | 179.1 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | D167 I168 | D167-T171 PolarHBondContact O-N 2.81Å; D167-T171 VanDerWaalsContact O-N 3.09Å; D167-T171 PolarHBondContact O-OG1 3Å; I168-T171 PolarHBondContact O-OG1 3.24Å |
| 172 | P | 43.9 | Very low | 52 | Low | 66 Ų | 66 | 67.1 Ų | 67.1 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | -140.7 | 68.5 | 83 | 33.9 | -14.9 | 0 | 0 | 0 | 112.8 | |||
| 173 | D | 42.4 | Very low | 50.5 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 47% | 0.465 | 43% | 0.429 | S | S | . | . | trans | -136.7 | 46.3 | 170.3 | -73.9 | -49.2 | 0 | 0 | 0 | 111.8 | E170 I175 G176 | E170-D173 PolarHBondContact O-N 3.02Å; D173-I175 PolarHBondContact O-N 3.35Å; D173-G176 PolarHBondContact O-N 2.96Å | ||
| 174 | L | 37.4 | Very low | 48.9 | Very low | 159 Ų | 159 | 78.1 Ų | 78.1 | 83% | 0.832 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 7.8 | 166.8 | -84.5 | 168.3 | 0 | 0 | 0 | 113.3 | ||
| 175 | I | 32.7 | Very low | 47.4 | Very low | 68 Ų | 68 | 76 Ų | 76 | 35% | 0.349 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 45.9 | 166.3 | -39.3 | 170.6 | 0 | 0 | 0 | 109.9 | D173 P305 N306 E309 | D173-I175 PolarHBondContact O-N 3.35Å; I175-P305 HydrophobicContact CB-CG 4.03Å; I175-P305 HydrophobicContact CD1-CB 4.07Å; I175-P305 HydrophobicContact CD1-CG 3.91Å; I175-P305 HydrophobicContact CG2-CB 3.73Å; I175-P305 HydrophobicContact CG2-CG 3.68Å; I175-N306 HydrophobicContact CD1-CB 3.77Å; I175-N306 WeakPolarHBondContact CD1-ND2 3.24Å; I175-E309 WeakPolarHBondContact CD1-OE2 3.16Å |
| 176 | G | 31.9 | Very low | 46 | Very low | 48 Ų | 48 | 78.3 Ų | 78.3 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | trans | -119 | 30.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111 | D173 D178 | D173-G176 PolarHBondContact O-N 2.96Å; G176-D178 PolarHBondContact O-N 3.3Å | ||
| 177 | G | 28.9 | Very low | 44.6 | Very low | 51 Ų | 51 | 80 Ų | 80 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | trans | -50.7 | 127.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P179 | G177-P179 WeakPolarHBondContact O-CD 3.06Å; G177-P179 VanDerWaalsContact O-N 3.14Å | ||
| 178 | D | 35.7 | Very low | 43.5 | Very low | 69 Ų | 69 | 83 Ų | 83 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | trans | -35.3 | 114.4 | 176.4 | -173.5 | 17.2 | 0 | 0 | 0 | 112 | G176 G180 | G176-D178 PolarHBondContact O-N 3.3Å; D178-G180 PolarHBondContact O-N 2.71Å; D178-G180 PolarHBondContact OD1-N 3.1Å | ||
| 179 | P | 37.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 89.8 Ų | 89.8 | 72% | 0.721 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -0.4 | 173.8 | -15.9 | 28.7 | 0 | 0 | 0 | 113 | G177 | G177-P179 WeakPolarHBondContact O-CD 3.06Å; G177-P179 VanDerWaalsContact O-N 3.14Å |
| 180 | G | 35.3 | Very low | 41.6 | Very low | 55 Ų | 55 | 94 Ų | 94 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -27.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.9 | D178 | D178-G180 PolarHBondContact O-N 2.71Å; D178-G180 PolarHBondContact OD1-N 3.1Å |
| 181 | D | 41.8 | Very low | 40.3 | Very low | 77 Ų | 77 | 92.9 Ų | 92.9 | 41% | 0.412 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -14.3 | -165.8 | -73.5 | -1.9 | 0 | 0 | 0 | 114.2 | K494 | D181-K494 IonicContact OD2-NZ 2.74Å; D181-K494 PolarHBondContact OD2-NZ 3.19Å |
| 182 | D | 44.3 | Very low | 40.2 | Very low | 78 Ų | 78 | 93.9 Ų | 93.9 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -99.5 | -7.6 | -172.8 | -76.2 | -43.3 | 0 | 0 | 0 | 115.1 | D184 L185 A186 | D182-D184 PolarHBondContact O-N 2.77Å; D182-L185 PolarHBondContact O-N 3.08Å; D182-A186 WeakPolarHBondContact O-CB 3.27Å; D182-A186 PolarHBondContact O-N 3.21Å |
| 183 | E | 45.4 | Very low | 40.1 | Very low | 158 Ų | 158 | 97 Ų | 97 | 74% | 0.738 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65 | -38.1 | 176 | -79.9 | -166.7 | 114.2 | 0 | 0 | 111.9 | A187 | E183-A187 VanDerWaalsContact O-CB 3.24Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 2.81Å |
| 184 | D | 40.9 | Very low | 40.1 | Very low | 140 Ų | 140 | 100.9 Ų | 100.9 | 75% | 0.749 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -78.4 | -26.6 | 179.1 | -77 | -17.9 | 0 | 0 | 0 | 113.1 | D182 K188 | D182-D184 PolarHBondContact O-N 2.77Å; D184-K188 WeakPolarHBondContact O-CB 3.33Å; D184-K188 PolarHBondContact O-N 3.27Å |
| 185 | L | 44.9 | Very low | 40.4 | Very low | 70 Ų | 70 | 96.6 Ų | 96.6 | 37% | 0.366 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -93.8 | -29.8 | -175.5 | -165.4 | 61.7 | 0 | 0 | 0 | 112.9 | D182 K188 R189 | D182-L185 PolarHBondContact O-N 3.08Å; L185-K188 PolarHBondContact O-N 2.93Å; L185-R189 WeakPolarHBondContact O-CB 3.26Å; L185-R189 WeakPolarHBondContact O-CG 3.09Å; L185-R189 PolarHBondContact O-N 3.44Å |
| 186 | A | 40.3 | Very low | 40.8 | Very low | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.5 | -35.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D182 K188 R189 L190 | D182-A186 WeakPolarHBondContact O-CB 3.27Å; D182-A186 PolarHBondContact O-N 3.21Å; A186-K188 VanDerWaalsContact C-N 3.3Å; A186-R189 PolarHBondContact O-N 2.87Å; A186-L190 PolarHBondContact O-N 3.36Å |
| 187 | A | 42.7 | Very low | 41.1 | Very low | 47 Ų | 47 | 99.5 Ų | 99.5 | 39% | 0.388 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.9 | -30.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E183 | E183-A187 VanDerWaalsContact O-CB 3.24Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 2.81Å |
| 188 | K | 45.8 | Very low | 41.7 | Very low | 142 Ų | 142 | 104.8 Ų | 104.8 | 62% | 0.617 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.5 | -27.5 | 174.5 | -110.4 | 173.2 | 176.1 | 164 | 0 | 115.3 | D184 L185 A186 E193 | D184-K188 WeakPolarHBondContact O-CB 3.33Å; D184-K188 PolarHBondContact O-N 3.27Å; L185-K188 PolarHBondContact O-N 2.93Å; A186-K188 VanDerWaalsContact C-N 3.3Å; K188-E193 WeakPolarHBondContact CG-OE2 3.17Å |
| 189 | R | 48 | Very low | 41.5 | Very low | 191 Ų | 191 | 105.9 Ų | 105.9 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -89.2 | -26.4 | -177.4 | -78.5 | -174.1 | 177.8 | 126.4 | 0.2 | 114 | L185 A186 | L185-R189 WeakPolarHBondContact O-CB 3.26Å; L185-R189 WeakPolarHBondContact O-CG 3.09Å; L185-R189 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-N 2.87Å |
| 190 | L | 42.4 | Very low | 41.6 | Very low | 117 Ų | 117 | 103.2 Ų | 103.2 | 61% | 0.613 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 101.9 | 161 | -78.9 | 118.4 | 0 | 0 | 0 | 106.1 | A186 I192 | A186-L190 PolarHBondContact O-N 3.36Å; L190-I192 HydrophobicContact CB-CD1 3.99Å; L190-I192 HydrophobicContact CB-CG1 4.26Å; L190-I192 WeakPolarHBondContact O-CG1 3.08Å; L190-I192 PolarHBondContact O-N 3.02Å |
| 191 | G | 34.6 | Very low | 42 | Very low | 80 Ų | 80 | 107 Ų | 107 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 72.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 192 | I | 47.9 | Very low | 42.2 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 54% | 0.544 | 67% | 0.666 | S | S | . | * | trans | -120.9 | 46.5 | -178.1 | -50.8 | 169.2 | 0 | 0 | 0 | 107.1 | L190 A195 | L190-I192 HydrophobicContact CB-CD1 3.99Å; L190-I192 HydrophobicContact CB-CG1 4.26Å; L190-I192 WeakPolarHBondContact O-CG1 3.08Å; L190-I192 PolarHBondContact O-N 3.02Å; I192-A195 HydrophobicContact CG2-CB 4.36Å | ||
| 193 | E | 41.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 108.6 Ų | 108.6 | 61% | 0.607 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -103.3 | -4.7 | 166.2 | -71.9 | -173.5 | 107.6 | 0 | 0 | 112.4 | K188 | K188-E193 WeakPolarHBondContact CG-OE2 3.17Š|
| 194 | D | 41.4 | Very low | 42.9 | Very low | 169 Ų | 169 | 109.1 Ų | 109.1 | 90% | 0.904 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -107.2 | 7.9 | 177.2 | -67.5 | -35.3 | 0 | 0 | 0 | 115.1 | ||
| 195 | A | 43.3 | Very low | 43.8 | Very low | 69 Ų | 69 | 105.6 Ų | 105.6 | 57% | 0.57 | 67% | 0.665 | S | S | * | * | trans | -108.7 | 1.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | I192 G197 | I192-A195 HydrophobicContact CG2-CB 4.36Å; A195-G197 PolarHBondContact O-N 2.71Å; A195-G197 VanDerWaalsContact O-N 3.14Å | ||
| 196 | A | 42.3 | Very low | 45 | Very low | 107 Ų | 107 | 103.9 Ų | 103.9 | 88% | 0.884 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 10.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 197 | G | 37.2 | Very low | 46.8 | Very low | 70 Ų | 70 | 110.7 Ų | 110.7 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -2.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | A195 | A195-G197 PolarHBondContact O-N 2.71Å; A195-G197 VanDerWaalsContact O-N 3.14Å |
| 198 | L | 40.9 | Very low | 48.6 | Very low | 162 Ų | 162 | 115.2 Ų | 115.2 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -126 | 109 | 176.9 | -80.9 | 99.7 | 0 | 0 | 0 | 111.6 | G200 | L198-G200 PolarHBondContact O-N 2.06Š|
| 199 | G | 32.8 | Very low | 50.2 | Low | 93 Ų | 93 | 117.5 Ų | 117.5 | 96% | 0.959 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 93 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 200 | G | 40.6 | Very low | 51.8 | Low | 55 Ų | 55 | 117.2 Ų | 117.2 | 57% | 0.567 | 69% | 0.69 | S | S | * | * | trans | -98.7 | 145.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L198 D202 | L198-G200 PolarHBondContact O-N 2.06Å; G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 2.98Å | ||
| 201 | P | 42.3 | Very low | 53.9 | Low | 135 Ų | 135 | 115 Ų | 115 | 88% | 0.877 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -76.4 | 73.3 | -174.5 | 33.4 | -34.9 | 0 | 0 | 0 | 111.3 | ||
| 202 | D | 47 | Very low | 56.5 | Low | 121 Ų | 121 | 114.3 Ų | 114.3 | 65% | 0.647 | 65% | 0.654 | S | S | * | * | trans | -129.2 | 42.7 | 172.7 | -93 | -28.5 | 0 | 0 | 0 | 112.1 | G200 K204 S205 | G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 2.98Å; D202-K204 PolarHBondContact O-N 3.39Å; D202-S205 PolarHBondContact O-N 3.04Å; D202-S205 PolarHBondContact O-OG 3.45Å | ||
| 203 | G | 49.9 | Very low | 58.4 | Low | 67 Ų | 67 | 112.9 Ų | 112.9 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.6 | -12 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 204 | K | 54.2 | Low | 60.6 | Low | 169 Ų | 169 | 115.4 Ų | 115.4 | 74% | 0.735 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.9 | -38.6 | 177 | -68.7 | -179.5 | -179.1 | 174.6 | 0 | 112.4 | D202 G206 R207 W208 | D202-K204 PolarHBondContact O-N 3.39Å; K204-G206 VanDerWaalsContact C-N 3.33Å; K204-G206 PolarHBondContact O-N 3.13Å; K204-R207 PolarHBondContact O-N 3.4Å; K204-W208 PolarHBondContact O-N 3.11Å; K204-W208 VanDerWaalsContact O-N 3.11Å |
| 205 | S | 59 | Low | 62.9 | Low | 65 Ų | 65 | 109.5 Ų | 109.5 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.7 | -37 | -177.6 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | D202 R209 | D202-S205 PolarHBondContact O-N 3.04Å; D202-S205 PolarHBondContact O-OG 3.45Å; S205-R209 WeakPolarHBondContact O-CG 3.24Å; S205-R209 PolarHBondContact O-N 2.87Å |
| 206 | G | 69.8 | Low | 65.1 | Low | 34 Ų | 34 | 108.3 Ų | 108.3 | 35% | 0.351 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.7 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K204 R210 | K204-G206 VanDerWaalsContact C-N 3.33Å; K204-G206 PolarHBondContact O-N 3.13Å; G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.3Å |
| 207 | R | 78.3 | Confident | 67.2 | Low | 196 Ų | 196 | 104.8 Ų | 104.8 | 74% | 0.74 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.3 | -42.2 | 178.2 | -164.2 | -176.2 | -64.3 | -168.2 | 0.1 | 111.6 | K204 R210 L211 | K204-R207 PolarHBondContact O-N 3.4Å; R207-R210 PolarHBondContact O-N 3.35Å; R207-L211 VanDerWaalsContact O-CB 3.28Å; R207-L211 WeakPolarHBondContact O-CB 3.39Å; R207-L211 PolarHBondContact O-N 2.91Å |
| 208 | W | 80.5 | Confident | 69.6 | Low | 142 Ų | 142 | 103 Ų | 103 | 54% | 0.538 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.3 | -89.5 | 95.2 | 0 | 0 | 0 | 112.1 | K204 R210 L211 Q212 V302 F303 | K204-W208 PolarHBondContact O-N 3.11Å; K204-W208 VanDerWaalsContact O-N 3.11Å; W208-R210 VanDerWaalsContact C-N 3.26Å; W208-R210 PolarHBondContact O-N 3.45Å; W208-L211 PolarHBondContact O-N 3.05Å; W208-Q212 VanDerWaalsContact O-CB 3.26Å; W208-Q212 WeakPolarHBondContact O-CB 3.3Å; W208-Q212 PolarHBondContact O-N 3.3Å; W208-V302 HydrophobicContact CH2-CG1 4.2Å; W208-V302 HydrophobicContact CZ3-CG1 4.09Å; W208-F303 HydrophobicContact CE3-CE1 4Å; W208-F303 HydrophobicContact CH2-CE1 4.18Å; W208-F303 HydrophobicContact CH2-CZ 4.43Å; W208-F303 HydrophobicContact CZ3-CD1 4.08Å; W208-F303 AromaticContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CE1 3.44Å; W208-F303 VanDerWaalsContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CZ 4.11Å |
| 209 | R | 79.8 | Confident | 71.9 | Confident | 190 Ų | 190 | 96 Ų | 96 | 72% | 0.717 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.3 | -33.6 | 176 | -77.1 | -173.5 | -179.9 | -144.3 | 2.7 | 113.3 | S205 P213 | S205-R209 WeakPolarHBondContact O-CG 3.24Å; S205-R209 PolarHBondContact O-N 2.87Å; R209-P213 WeakPolarHBondContact O-CD 3.3Å |
| 210 | R | 82.3 | Confident | 74.3 | Confident | 184 Ų | 184 | 93.7 Ų | 93.7 | 69% | 0.694 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -79.1 | -34.5 | 175.2 | -68 | 177.5 | -170.7 | -157.1 | 2.5 | 113.2 | G206 R207 W208 R214 | G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.3Å; R207-R210 PolarHBondContact O-N 3.35Å; W208-R210 VanDerWaalsContact C-N 3.26Å; W208-R210 PolarHBondContact O-N 3.45Å; R210-R214 WeakPolarHBondContact O-CD 3.18Å; R210-R214 WeakPolarHBondContact O-CG 3.48Å |
| 211 | L | 85.9 | Confident | 76 | Confident | 72 Ų | 72 | 94.3 Ų | 94.3 | 38% | 0.377 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -78.4 | -36.2 | -177.4 | -174.7 | 64.8 | 0 | 0 | 0 | 112 | R207 W208 R214 M215 F303 | R207-L211 VanDerWaalsContact O-CB 3.28Å; R207-L211 WeakPolarHBondContact O-CB 3.39Å; R207-L211 PolarHBondContact O-N 2.91Å; W208-L211 PolarHBondContact O-N 3.05Å; L211-R214 PolarHBondContact O-N 3.29Å; L211-M215 HydrophobicContact CD1-CG 3.55Å; L211-M215 HydrophobicContact CD1-SD 4.11Å; L211-M215 HydrophobicContact CD2-CG 4.39Å; L211-M215 HydrophobicContact CG-CG 3.63Å; L211-M215 WeakPolarHBondContact O-CB 3.42Å; L211-M215 WeakPolarHBondContact O-CG 3.49Å; L211-M215 PolarHBondContact O-N 2.85Å; L211-F303 HydrophobicContact CD2-CE1 4.28Å; L211-F303 HydrophobicContact CD2-CZ 4.44Å; L211-F303 HydrophobicContact CG-CE1 4.35Å |
| 212 | Q | 88.9 | Confident | 77.9 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 30% | 0.304 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -53.3 | -57.8 | -176.7 | -178.6 | -176.6 | -0.3 | 0 | 0 | 113.9 | W208 R214 M215 W216 F303 S304 | W208-Q212 VanDerWaalsContact O-CB 3.26Å; W208-Q212 WeakPolarHBondContact O-CB 3.3Å; W208-Q212 PolarHBondContact O-N 3.3Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.19Å; Q212-M215 PolarHBondContact O-N 3.3Å; Q212-W216 VanDerWaalsContact O-CB 3.29Å; Q212-W216 WeakPolarHBondContact O-CB 3.1Å; Q212-W216 PolarHBondContact O-N 3.33Å; Q212-F303 HydrophobicContact CB-CD1 4.38Å; Q212-F303 HydrophobicContact CG-CD1 4.5Å; Q212-F303 VanDerWaalsContact CG-O 3.24Å; Q212-F303 WeakPolarHBondContact CG-O 3.41Å; Q212-S304 PolarHBondContact NE2-O 2.96Å |
| 213 | P | 88.4 | Confident | 79.3 | Confident | 76 Ų | 76 | 89.3 Ų | 89.3 | 49% | 0.494 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -32.7 | -179.5 | 25.7 | -34.4 | 0 | 0 | 0 | 112.3 | R209 A217 | R209-P213 WeakPolarHBondContact O-CD 3.3Å; P213-A217 VanDerWaalsContact O-CB 3.28Å; P213-A217 WeakPolarHBondContact O-CB 3.02Å; P213-A217 PolarHBondContact O-N 3.43Å |
| 214 | R | 87.6 | Confident | 80.7 | Confident | 183 Ų | 183 | 88.5 Ų | 88.5 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.5 | -46.1 | 178 | -69.3 | -179.7 | 177.5 | -179.5 | -2.8 | 112.1 | R210 L211 Q212 L218 | R210-R214 WeakPolarHBondContact O-CD 3.18Å; R210-R214 WeakPolarHBondContact O-CG 3.48Å; L211-R214 PolarHBondContact O-N 3.29Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.19Å; R214-L218 VanDerWaalsContact O-CB 3.31Å; R214-L218 WeakPolarHBondContact O-CB 3.16Å; R214-L218 PolarHBondContact O-N 2.7Å |
| 215 | M | 90.1 | Very high | 82.2 | Confident | 44 Ų | 44 | 82.6 Ų | 82.6 | 22% | 0.217 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.5 | -38.1 | 178.5 | -71.1 | -59.3 | -61.1 | 0 | 0 | 111.9 | L211 Q212 L218 F219 V299 F303 | L211-M215 HydrophobicContact CD1-CG 3.55Å; L211-M215 HydrophobicContact CD1-SD 4.11Å; L211-M215 HydrophobicContact CD2-CG 4.39Å; L211-M215 HydrophobicContact CG-CG 3.63Å; L211-M215 WeakPolarHBondContact O-CB 3.42Å; L211-M215 WeakPolarHBondContact O-CG 3.49Å; L211-M215 PolarHBondContact O-N 2.85Å; Q212-M215 PolarHBondContact O-N 3.3Å; M215-L218 HydrophobicContact CE-CD2 4.3Å; M215-L218 WeakPolarHBondContact O-CB 3.42Å; M215-L218 PolarHBondContact O-N 3.39Å; M215-L218 HydrophobicContact SD-CD2 4.12Å; M215-F219 HydrophobicContact CE-CD2 4.35Å; M215-F219 HydrophobicContact CE-CE2 3.85Å; M215-F219 PolarHBondContact O-N 2.95Å; M215-V299 HydrophobicContact CE-CG1 4.2Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 3.94Å; M215-F303 HydrophobicContact CB-CD2 3.66Å; M215-F303 HydrophobicContact CB-CE1 4.18Å; M215-F303 HydrophobicContact CB-CE2 3.96Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.2Å; M215-F303 HydrophobicContact CE-CE2 4.24Å; M215-F303 HydrophobicContact CG-CD1 4.43Å; M215-F303 HydrophobicContact CG-CD2 4.35Å; M215-F303 HydrophobicContact CG-CE1 4.18Å; M215-F303 HydrophobicContact CG-CE2 4.14Å; M215-F303 HydrophobicContact CG-CG 4.5Å; M215-F303 HydrophobicContact CG-CZ 4.04Å |
| 216 | W | 89.6 | Confident | 83.5 | Confident | 44 Ų | 44 | 90.2 Ų | 90.2 | 17% | 0.167 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.4 | -52.6 | 173 | 178.4 | -106.7 | 0 | 0 | 0 | 111.3 | Q212 L218 F219 E220 R300 F303 S304 F310 | Q212-W216 VanDerWaalsContact O-CB 3.29Å; Q212-W216 WeakPolarHBondContact O-CB 3.1Å; Q212-W216 PolarHBondContact O-N 3.33Å; W216-L218 PolarHBondContact O-N 3.14Å; W216-F219 PolarHBondContact O-N 3.39Å; W216-E220 HydrophobicContact CD2-CB 4.42Å; W216-E220 HydrophobicContact CH2-CG 4.38Å; W216-E220 HydrophobicContact CZ2-CB 4.34Å; W216-E220 HydrophobicContact CZ2-CG 3.89Å; W216-E220 VanDerWaalsContact O-CB 3.29Å; W216-E220 WeakPolarHBondContact O-CB 3.3Å; W216-E220 PolarHBondContact O-N 3.43Å; W216-R300 HydrophobicContact CZ3-CB 4.16Å; W216-R300 VanDerWaalsContact CZ3-O 3.26Å; W216-R300 WeakPolarHBondContact CZ3-O 3.47Å; W216-F303 HydrophobicContact CB-CB 4.36Å; W216-S304 VanDerWaalsContact CZ3-CB 3.43Å; W216-F310 AromaticContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CE2 4.02Å; W216-F310 AromaticContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CE2 4.01Å |
| 217 | A | 86 | Confident | 84.5 | Confident | 34 Ų | 34 | 91.1 Ų | 91.1 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.8 | -33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P213 D221 S224 | P213-A217 VanDerWaalsContact O-CB 3.28Å; P213-A217 WeakPolarHBondContact O-CB 3.02Å; P213-A217 PolarHBondContact O-N 3.43Å; A217-D221 PolarHBondContact O-N 3.11Å; A217-D221 VanDerWaalsContact O-N 3.14Å; A217-D221 VanDerWaalsContact O-O 3.05Å; A217-S224 WeakPolarHBondContact O-CB 3.41Å; A217-S224 PolarHBondContact O-OG 3.19Å |
| 218 | L | 88.6 | Confident | 85 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 179 | -177.3 | 68.7 | 0 | 0 | 0 | 113.4 | R214 M215 W216 A227 A228 I231 | R214-L218 VanDerWaalsContact O-CB 3.31Å; R214-L218 WeakPolarHBondContact O-CB 3.16Å; R214-L218 PolarHBondContact O-N 2.7Å; M215-L218 HydrophobicContact CE-CD2 4.3Å; M215-L218 WeakPolarHBondContact O-CB 3.42Å; M215-L218 PolarHBondContact O-N 3.39Å; M215-L218 HydrophobicContact SD-CD2 4.12Å; W216-L218 PolarHBondContact O-N 3.14Å; L218-A227 HydrophobicContact CD1-CB 3.65Å; L218-A228 HydrophobicContact CD1-CB 3.99Å; L218-A228 VanDerWaalsContact CD1-N 3.34Å; L218-A228 WeakPolarHBondContact O-CB 3.27Å; L218-I231 HydrophobicContact CD1-CD1 3.81Å; L218-I231 HydrophobicContact CD2-CD1 3.66Å; L218-I231 HydrophobicContact CG-CD1 3.5Å; L218-I231 VanDerWaalsContact CG-CD1 3.5Å |
| 219 | F | 88.3 | Confident | 85.3 | Confident | 15 Ų | 15 | 82.2 Ų | 82.2 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -102.7 | -20 | -176.5 | -82.3 | -99.8 | 0 | 0 | 0 | 114.4 | M215 W216 I231 F295 E296 V299 R300 | M215-F219 HydrophobicContact CE-CD2 4.35Å; M215-F219 HydrophobicContact CE-CE2 3.85Å; M215-F219 PolarHBondContact O-N 2.95Å; W216-F219 PolarHBondContact O-N 3.39Å; F219-I231 HydrophobicContact CD1-CG2 4.05Å; F219-I231 HydrophobicContact CE1-CG2 3.93Å; F219-I231 HydrophobicContact CE2-CD1 3.98Å; F219-I231 HydrophobicContact CZ-CD1 4.12Å; F219-I231 HydrophobicContact CZ-CG2 4.34Å; F219-F295 HydrophobicContact CE1-CD1 4.49Å; F219-F295 AromaticContact CE1-CE1 3.93Å; F219-F295 HydrophobicContact CE1-CE1 3.93Å; F219-F295 AromaticContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CZ 4.1Å; F219-E296 HydrophobicContact CD1-CG 4.32Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; F219-V299 HydrophobicContact CD1-CB 4.48Å; F219-V299 HydrophobicContact CD1-CG1 4.18Å; F219-V299 HydrophobicContact CD2-CG1 3.56Å; F219-V299 HydrophobicContact CE1-CB 4.38Å; F219-V299 HydrophobicContact CE1-CG1 4.22Å; F219-V299 HydrophobicContact CE2-CG1 3.63Å; F219-V299 HydrophobicContact CG-CG1 3.85Å; F219-V299 HydrophobicContact CZ-CB 4.42Å; F219-V299 HydrophobicContact CZ-CG1 3.96Å; F219-V299 HydrophobicContact CZ-CG2 4.42Å; F219-R300 HydrophobicContact CB-CG 4.04Å; F219-R300 PolarHBondContact O-NE 2.86Å; F219-R300 VanDerWaalsContact O-NE 3.15Å; F219-R300 PolarHBondContact O-NH2 2.98Å |
| 220 | E | 83.5 | Confident | 85.9 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 21% | 0.206 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -96.3 | -44.1 | -179.6 | -164.6 | 63.9 | -162.8 | 0 | 0 | 112.2 | W216 P222 R300 R363 | W216-E220 HydrophobicContact CD2-CB 4.42Å; W216-E220 HydrophobicContact CH2-CG 4.38Å; W216-E220 HydrophobicContact CZ2-CB 4.34Å; W216-E220 HydrophobicContact CZ2-CG 3.89Å; W216-E220 VanDerWaalsContact O-CB 3.29Å; W216-E220 WeakPolarHBondContact O-CB 3.3Å; W216-E220 PolarHBondContact O-N 3.43Å; E220-P222 WeakPolarHBondContact O-CD 3.39Å; E220-R300 IonicContact OE2-NE 2.73Å; E220-R363 IonicContact OE1-NH1 3.27Å; E220-R363 PolarHBondContact OE1-NH1 3.37Å; E220-R363 VanDerWaalsContact OE1-NH1 3.16Å; E220-R363 IonicContact OE2-NH1 3.05Å; E220-R363 PolarHBondContact OE2-NH1 3.19Å; E220-R363 VanDerWaalsContact OE2-NH1 3.09Å |
| 221 | D | 76.5 | Confident | 86.3 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | trans | -107 | 106 | -178.5 | 177.8 | 14.6 | 0 | 0 | 0 | 111.5 | A217 Y223 S224 A228 | A217-D221 PolarHBondContact O-N 3.11Å; A217-D221 VanDerWaalsContact O-N 3.14Å; A217-D221 VanDerWaalsContact O-O 3.05Å; D221-Y223 PolarHBondContact O-N 3.23Å; D221-Y223 VanDerWaalsContact O-N 3.11Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.29Å; D221-Y223 PolarHBondContact OD1-N 2.89Å; D221-S224 WeakPolarHBondContact O-CB 3.46Å; D221-S224 PolarHBondContact O-N 2.94Å; D221-S224 VanDerWaalsContact O-N 3.15Å; D221-S224 PolarHBondContact O-OG 3.09Å; D221-S224 PolarHBondContact OD2-N 2.84Å; D221-A228 WeakPolarHBondContact O-CB 3.18Å | ||
| 222 | P | 81 | Confident | 86.4 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.3 | 179.5 | 27.4 | -34.7 | 0 | 0 | 0 | 113 | E220 R229 A232 | E220-P222 WeakPolarHBondContact O-CD 3.39Å; P222-R229 WeakPolarHBondContact O-CG 3.28Å; P222-R229 PolarHBondContact O-N 2.75Å; P222-A232 HydrophobicContact CB-CB 3.73Å |
| 223 | Y | 77 | Confident | 86.4 | Confident | 129 Ų | 129 | 73.1 Ų | 73.1 | 51% | 0.506 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.5 | -179.5 | -58.9 | -79.7 | 0 | 0 | 0 | 113.6 | D221 S225 V366 | D221-Y223 PolarHBondContact O-N 3.23Å; D221-Y223 VanDerWaalsContact O-N 3.11Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.29Å; D221-Y223 PolarHBondContact OD1-N 2.89Å; Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 2.93Å; Y223-V366 HydrophobicContact CE2-CG2 3.87Å |
| 224 | S | 78.4 | Confident | 86.6 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -61.7 | -36.5 | -175.4 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | A217 D221 A228 | A217-S224 WeakPolarHBondContact O-CB 3.41Å; A217-S224 PolarHBondContact O-OG 3.19Å; D221-S224 WeakPolarHBondContact O-CB 3.46Å; D221-S224 PolarHBondContact O-N 2.94Å; D221-S224 VanDerWaalsContact O-N 3.15Å; D221-S224 PolarHBondContact O-OG 3.09Å; D221-S224 PolarHBondContact OD2-N 2.84Å; S224-A228 WeakPolarHBondContact OG-CB 3.5Å |
| 225 | S | 86 | Confident | 86.7 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | trans | -156.3 | 166.7 | -179 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | Y223 A227 A228 R229 | Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 2.93Å; S225-A227 PolarHBondContact O-N 3.5Å; S225-A227 PolarHBondContact OG-N 2.92Å; S225-A228 WeakPolarHBondContact O-CB 3.26Å; S225-A228 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact OG-CB 3.29Å; S225-A228 PolarHBondContact OG-N 3.33Å; S225-R229 PolarHBondContact O-N 2.69Å; S225-R229 VanDerWaalsContact O-N 3.14Å | ||
| 226 | R | 87.6 | Confident | 86.7 | Confident | 225 Ų | 225 | 61.2 Ų | 61.2 | 85% | 0.849 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.1 | -35.2 | 171.3 | -66.6 | -176.7 | -177.5 | 174.2 | 0.3 | 112 | R229 F230 | R226-R229 PolarHBondContact O-N 2.83Å; R226-F230 PolarHBondContact O-N 3.32Å |
| 227 | A | 91.2 | Very high | 86.9 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L218 S225 R229 F230 I231 | L218-A227 HydrophobicContact CD1-CB 3.65Å; S225-A227 PolarHBondContact O-N 3.5Å; S225-A227 PolarHBondContact OG-N 2.92Å; A227-R229 VanDerWaalsContact C-N 3.33Å; A227-R229 PolarHBondContact O-N 2.91Å; A227-F230 WeakPolarHBondContact O-CB 3.49Å; A227-F230 PolarHBondContact O-N 2.98Å; A227-F230 VanDerWaalsContact O-N 3.15Å; A227-I231 PolarHBondContact O-N 3.44Å |
| 228 | A | 88 | Confident | 87.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L218 D221 S224 S225 F230 I231 A232 | L218-A228 HydrophobicContact CD1-CB 3.99Å; L218-A228 VanDerWaalsContact CD1-N 3.34Å; L218-A228 WeakPolarHBondContact O-CB 3.27Å; D221-A228 WeakPolarHBondContact O-CB 3.18Å; S224-A228 WeakPolarHBondContact OG-CB 3.5Å; S225-A228 WeakPolarHBondContact O-CB 3.26Å; S225-A228 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact OG-CB 3.29Å; S225-A228 PolarHBondContact OG-N 3.33Å; A228-F230 VanDerWaalsContact C-N 3.31Å; A228-F230 PolarHBondContact O-N 3.36Å; A228-I231 PolarHBondContact O-N 2.96Å; A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.28Å; A228-A232 PolarHBondContact O-N 3.21Å |
| 229 | R | 87.4 | Confident | 87.4 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.2 | -40.5 | 173.3 | -66.2 | -177.2 | -168.9 | 171.5 | 2.4 | 112.5 | P222 S225 R226 A227 A232 F233 | P222-R229 WeakPolarHBondContact O-CG 3.28Å; P222-R229 PolarHBondContact O-N 2.75Å; S225-R229 PolarHBondContact O-N 2.69Å; S225-R229 VanDerWaalsContact O-N 3.14Å; R226-R229 PolarHBondContact O-N 2.83Å; A227-R229 VanDerWaalsContact C-N 3.33Å; A227-R229 PolarHBondContact O-N 2.91Å; R229-A232 PolarHBondContact O-N 3.46Å; R229-F233 WeakPolarHBondContact O-CB 3.18Å; R229-F233 PolarHBondContact O-N 3.44Å |
| 230 | F | 91.5 | Very high | 87.5 | Confident | 146 Ų | 146 | 67.1 Ų | 67.1 | 64% | 0.64 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.2 | -45 | 177 | -179.1 | -94.7 | 0 | 0 | 0 | 111.8 | R226 A227 A228 A232 F233 A234 | R226-F230 PolarHBondContact O-N 3.32Å; A227-F230 WeakPolarHBondContact O-CB 3.49Å; A227-F230 PolarHBondContact O-N 2.98Å; A227-F230 VanDerWaalsContact O-N 3.15Å; A228-F230 VanDerWaalsContact C-N 3.31Å; A228-F230 PolarHBondContact O-N 3.36Å; F230-A232 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 2.87Å; F230-F233 PolarHBondContact O-N 2.89Å; F230-A234 PolarHBondContact O-N 2.91Å |
| 231 | I | 90.8 | Very high | 88 | Confident | 26 Ų | 26 | 67 Ų | 67 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.1 | -70.8 | 164.8 | 0 | 0 | 0 | 110.7 | L218 F219 A227 A228 F233 A234 S235 | L218-I231 HydrophobicContact CD1-CD1 3.81Å; L218-I231 HydrophobicContact CD2-CD1 3.66Å; L218-I231 HydrophobicContact CG-CD1 3.5Å; L218-I231 VanDerWaalsContact CG-CD1 3.5Å; F219-I231 HydrophobicContact CD1-CG2 4.05Å; F219-I231 HydrophobicContact CE1-CG2 3.93Å; F219-I231 HydrophobicContact CE2-CD1 3.98Å; F219-I231 HydrophobicContact CZ-CD1 4.12Å; F219-I231 HydrophobicContact CZ-CG2 4.34Å; A227-I231 PolarHBondContact O-N 3.44Å; A228-I231 PolarHBondContact O-N 2.96Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.47Å; I231-A234 PolarHBondContact O-N 3.07Å; I231-S235 WeakPolarHBondContact O-CB 3.08Å; I231-S235 PolarHBondContact O-N 2.72Å; I231-S235 PolarHBondContact O-OG 3.43Å |
| 232 | A | 87.8 | Confident | 88.7 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P222 A228 R229 F230 S235 L236 H364 | P222-A232 HydrophobicContact CB-CB 3.73Å; A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.28Å; A228-A232 PolarHBondContact O-N 3.21Å; R229-A232 PolarHBondContact O-N 3.46Å; F230-A232 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 2.87Å; A232-S235 PolarHBondContact O-N 2.86Å; A232-L236 WeakPolarHBondContact O-CB 3.26Å; A232-L236 PolarHBondContact O-N 2.96Å; A232-H364 WeakPolarHBondContact CB-ND1 3.34Å |
| 233 | F | 89.8 | Confident | 89.2 | Confident | 137 Ų | 137 | 64.8 Ų | 64.8 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65 | -42.5 | 175 | -177 | -96.2 | 0 | 0 | 0 | 112.5 | R229 F230 I231 S235 L236 F237 | R229-F233 WeakPolarHBondContact O-CB 3.18Å; R229-F233 PolarHBondContact O-N 3.44Å; F230-F233 PolarHBondContact O-N 2.89Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.47Å; F233-S235 VanDerWaalsContact C-N 3.33Å; F233-S235 PolarHBondContact O-N 3.25Å; F233-L236 WeakPolarHBondContact O-CB 3.49Å; F233-L236 PolarHBondContact O-N 3.4Å; F233-F237 PolarHBondContact O-N 3.35Å |
| 234 | A | 92.1 | Very high | 89.9 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F230 I231 F237 F238 W292 | F230-A234 PolarHBondContact O-N 2.91Å; I231-A234 PolarHBondContact O-N 3.07Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 3.28Å; A234-F238 VanDerWaalsContact O-CD2 3.24Å; A234-F238 WeakPolarHBondContact O-CD2 3.2Å; A234-F238 PolarHBondContact O-N 2.94Å; A234-W292 HydrophobicContact CB-CH2 4.18Å; A234-W292 HydrophobicContact CB-CZ2 3.81Å |
| 235 | S | 90.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.5 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | I231 A232 F233 F237 F238 I239 E296 | I231-S235 WeakPolarHBondContact O-CB 3.08Å; I231-S235 PolarHBondContact O-N 2.72Å; I231-S235 PolarHBondContact O-OG 3.43Å; A232-S235 PolarHBondContact O-N 2.86Å; F233-S235 VanDerWaalsContact C-N 3.33Å; F233-S235 PolarHBondContact O-N 3.25Å; S235-F237 VanDerWaalsContact C-N 3.34Å; S235-F237 PolarHBondContact O-N 2.67Å; S235-F238 PolarHBondContact O-N 3.4Å; S235-I239 WeakPolarHBondContact O-CD1 3.48Å; S235-I239 VanDerWaalsContact O-CG1 3.22Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 2.89Å; S235-E296 PolarHBondContact OG-OE1 3.46Å; S235-E296 PolarHBondContact OG-OE2 3.26Å |
| 236 | L | 89.6 | Confident | 90.7 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 171.8 | 176 | 61.4 | 0 | 0 | 0 | 112 | A232 F233 I239 L240 L361 F365 | A232-L236 WeakPolarHBondContact O-CB 3.26Å; A232-L236 PolarHBondContact O-N 2.96Å; F233-L236 WeakPolarHBondContact O-CB 3.49Å; F233-L236 PolarHBondContact O-N 3.4Å; L236-I239 PolarHBondContact O-N 2.97Å; L236-L240 HydrophobicContact CD1-CD1 4.39Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.33Å; L236-L240 WeakPolarHBondContact O-CG 3.29Å; L236-L240 PolarHBondContact O-N 2.86Å; L236-L361 HydrophobicContact CD1-CD2 3.22Å; L236-F365 HydrophobicContact CD1-CE2 4.18Å; L236-F365 HydrophobicContact CD2-CZ 4.38Å |
| 237 | F | 93 | Very high | 90.9 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 177.3 | 173 | -97.1 | 0 | 0 | 0 | 111.9 | F233 A234 S235 I239 L240 V241 | F233-F237 PolarHBondContact O-N 3.35Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 3.28Å; S235-F237 VanDerWaalsContact C-N 3.34Å; S235-F237 PolarHBondContact O-N 2.67Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.44Å; F237-L240 PolarHBondContact O-N 3.09Å; F237-V241 HydrophobicContact CD1-CG2 4.29Å; F237-V241 HydrophobicContact CD2-CG2 4.42Å; F237-V241 HydrophobicContact CE1-CG2 3.85Å; F237-V241 HydrophobicContact CE2-CG2 4Å; F237-V241 HydrophobicContact CZ-CG2 3.69Å; F237-V241 WeakPolarHBondContact O-CG2 3.49Å; F237-V241 PolarHBondContact O-N 2.95Å |
| 238 | F | 93.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -34.2 | 177.5 | -79.9 | -72.4 | 0 | 0 | 0 | 112.9 | A234 S235 S242 V288 C289 W292 F293 | A234-F238 VanDerWaalsContact O-CD2 3.24Å; A234-F238 WeakPolarHBondContact O-CD2 3.2Å; A234-F238 PolarHBondContact O-N 2.94Å; S235-F238 PolarHBondContact O-N 3.4Å; F238-S242 WeakPolarHBondContact O-CB 3.4Å; F238-S242 PolarHBondContact O-N 3.35Å; F238-V288 HydrophobicContact CE1-CG1 4.1Å; F238-C289 HydrophobicContact CD1-CB 4.42Å; F238-W292 HydrophobicContact CB-CG 4.3Å; F238-W292 HydrophobicContact CD1-CB 4.18Å; F238-W292 HydrophobicContact CD1-CG 4.37Å; F238-W292 HydrophobicContact CD2-CB 4.05Å; F238-W292 AromaticContact CD2-CD1 3.46Å; F238-W292 VanDerWaalsContact CD2-CD1 3.46Å; F238-W292 AromaticContact CD2-CD2 3.55Å; F238-W292 HydrophobicContact CD2-CD2 3.55Å; F238-W292 AromaticContact CD2-CE2 3.73Å; F238-W292 HydrophobicContact CD2-CE3 4.27Å; F238-W292 AromaticContact CD2-CG 3.39Å; F238-W292 HydrophobicContact CD2-CG 3.39Å; F238-W292 AromaticContact CD2-NE1 3.67Å; F238-W292 HydrophobicContact CE1-CB 4.32Å; F238-W292 HydrophobicContact CE2-CB 4.2Å; F238-W292 AromaticContact CE2-CD2 3.51Å; F238-W292 HydrophobicContact CE2-CD2 3.51Å; F238-W292 AromaticContact CE2-CE2 3.98Å; F238-W292 AromaticContact CE2-CE3 3.75Å; F238-W292 HydrophobicContact CE2-CE3 3.75Å; F238-W292 AromaticContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CZ3 4.38Å; F238-W292 HydrophobicContact CG-CB 4.05Å; F238-W292 AromaticContact CG-CD1 3.74Å; F238-W292 HydrophobicContact CG-CD2 4.4Å; F238-W292 AromaticContact CG-CG 3.77Å; F238-W292 HydrophobicContact CG-CG 3.77Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.33Å; F238-W292 HydrophobicContact CZ-CE3 4.36Å; F238-W292 HydrophobicContact CZ-CG 4.31Å; F238-F293 HydrophobicContact CB-CE1 3.92Å; F238-F293 HydrophobicContact CB-CZ 4.12Å |
| 239 | I | 91.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 172.2 | -68.9 | 161.7 | 0 | 0 | 0 | 110.5 | S235 L236 F237 S242 I243 F293 K360 L361 | S235-I239 WeakPolarHBondContact O-CD1 3.48Å; S235-I239 VanDerWaalsContact O-CG1 3.22Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 2.89Å; L236-I239 PolarHBondContact O-N 2.97Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.44Å; I239-S242 PolarHBondContact O-N 3.45Å; I239-I243 HydrophobicContact CG2-CD1 3.74Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 VanDerWaalsContact O-CG1 3.3Å; I239-I243 WeakPolarHBondContact O-CG1 3.19Å; I239-I243 PolarHBondContact O-N 3.38Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.9Å; I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CD1-CD 4.49Å; I239-K360 HydrophobicContact CG1-CB 4.29Å; I239-L361 HydrophobicContact CB-CD2 4.48Å; I239-L361 HydrophobicContact CD1-CD2 4.04Å; I239-L361 HydrophobicContact CG2-CD2 3.96Å; I239-L361 HydrophobicContact CG2-CG 4.2Å |
| 240 | L | 92 | Very high | 90.9 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 48% | 0.482 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 179.6 | -68.9 | 173.7 | 0 | 0 | 0 | 111.7 | L236 F237 S242 I243 T244 | L236-L240 HydrophobicContact CD1-CD1 4.39Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.33Å; L236-L240 WeakPolarHBondContact O-CG 3.29Å; L236-L240 PolarHBondContact O-N 2.86Å; F237-L240 PolarHBondContact O-N 3.09Å; L240-S242 VanDerWaalsContact C-N 3.29Å; L240-S242 PolarHBondContact O-N 2.99Å; L240-I243 PolarHBondContact O-N 3.18Å; L240-T244 PolarHBondContact O-N 3.27Å; L240-T244 PolarHBondContact O-OG1 3.4Å; L240-T244 VanDerWaalsContact O-OG1 3.06Å |
| 241 | V | 93.8 | Very high | 90.9 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 177 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | F237 T244 T245 V285 | F237-V241 HydrophobicContact CD1-CG2 4.29Å; F237-V241 HydrophobicContact CD2-CG2 4.42Å; F237-V241 HydrophobicContact CE1-CG2 3.85Å; F237-V241 HydrophobicContact CE2-CG2 4Å; F237-V241 HydrophobicContact CZ-CG2 3.69Å; F237-V241 WeakPolarHBondContact O-CG2 3.49Å; F237-V241 PolarHBondContact O-N 2.95Å; V241-T244 WeakPolarHBondContact O-CB 3.29Å; V241-T244 PolarHBondContact O-N 3.12Å; V241-T245 PolarHBondContact O-N 3.33Å; V241-T245 PolarHBondContact O-OG1 2.98Å; V241-T245 VanDerWaalsContact O-OG1 3.1Å; V241-V285 HydrophobicContact CG1-CG1 3.69Å |
| 242 | S | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.9 | -34.1 | -177.9 | -174.9 | 0 | 0 | 0 | 0 | 113.7 | F238 I239 L240 F246 E286 R357 | F238-S242 WeakPolarHBondContact O-CB 3.4Å; F238-S242 PolarHBondContact O-N 3.35Å; I239-S242 PolarHBondContact O-N 3.45Å; L240-S242 VanDerWaalsContact C-N 3.29Å; L240-S242 PolarHBondContact O-N 2.99Å; S242-F246 WeakPolarHBondContact O-CB 3.48Å; S242-F246 PolarHBondContact O-N 3.25Å; S242-E286 PolarHBondContact OG-OE2 3.14Å; S242-R357 VanDerWaalsContact OG-CD 3.28Å; S242-R357 WeakPolarHBondContact OG-CD 3.42Å; S242-R357 PolarHBondContact OG-NE 2.87Å; S242-R357 PolarHBondContact OG-NH1 3.49Å; S242-R357 PolarHBondContact OG-NH2 2.98Å; S242-R357 VanDerWaalsContact OG-NH2 3.08Å |
| 243 | I | 90.8 | Very high | 90.8 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 170.3 | -68.7 | 168.4 | 0 | 0 | 0 | 110.1 | I239 L240 F246 C247 R357 I358 | I239-I243 HydrophobicContact CG2-CD1 3.74Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 VanDerWaalsContact O-CG1 3.3Å; I239-I243 WeakPolarHBondContact O-CG1 3.19Å; I239-I243 PolarHBondContact O-N 3.38Å; L240-I243 PolarHBondContact O-N 3.18Å; I243-F246 WeakPolarHBondContact O-CB 3.14Å; I243-F246 PolarHBondContact O-N 3.14Å; I243-C247 PolarHBondContact O-N 3.09Å; I243-C247 PolarHBondContact O-SG 3.43Å; I243-C247 VanDerWaalsContact O-SG 3.33Å; I243-R357 HydrophobicContact CG1-CG 4.15Å; I243-I358 HydrophobicContact CD1-CB 4.17Å; I243-I358 HydrophobicContact CD1-CD1 4.47Å; I243-I358 HydrophobicContact CD1-CG1 4.05Å |
| 244 | T | 92.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 55 Ų | 55 | 49% | 0.485 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | L240 V241 F246 C247 L248 | L240-T244 PolarHBondContact O-N 3.27Å; L240-T244 PolarHBondContact O-OG1 3.4Å; L240-T244 VanDerWaalsContact O-OG1 3.06Å; V241-T244 WeakPolarHBondContact O-CB 3.29Å; V241-T244 PolarHBondContact O-N 3.12Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.26Å; T244-C247 PolarHBondContact O-N 3.21Å; T244-C247 VanDerWaalsContact O-N 3.15Å; T244-L248 HydrophobicContact CG2-CD1 3.96Å; T244-L248 HydrophobicContact CG2-CG 4.26Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.11Å |
| 245 | T | 91.7 | Very high | 90.5 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | V241 C247 L248 E249 L282 V285 E286 | V241-T245 PolarHBondContact O-N 3.33Å; V241-T245 PolarHBondContact O-OG1 2.98Å; V241-T245 VanDerWaalsContact O-OG1 3.1Å; T245-C247 VanDerWaalsContact C-N 3.34Å; T245-C247 PolarHBondContact O-N 3.16Å; T245-L248 PolarHBondContact O-N 3.45Å; T245-L248 VanDerWaalsContact O-N 3.16Å; T245-E249 WeakPolarHBondContact O-CG 3.48Å; T245-E249 PolarHBondContact O-N 3.48Å; T245-L282 HydrophobicContact CG2-CB 3.9Å; T245-L282 HydrophobicContact CG2-CD2 4.23Å; T245-L282 HydrophobicContact CG2-CG 4.12Å; T245-L282 WeakPolarHBondContact CG2-O 3.47Å; T245-V285 WeakPolarHBondContact OG1-CG1 3.19Å; T245-E286 HydrophobicContact CG2-CB 4.28Å |
| 246 | F | 89 | Confident | 90 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 18% | 0.184 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 174.9 | 172.6 | -101.9 | 0 | 0 | 0 | 112.6 | S242 I243 T244 R354 | S242-F246 WeakPolarHBondContact O-CB 3.48Å; S242-F246 PolarHBondContact O-N 3.25Å; I243-F246 WeakPolarHBondContact O-CB 3.14Å; I243-F246 PolarHBondContact O-N 3.14Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.26Å; F246-R354 HydrophobicContact CD2-CB 4.25Å |
| 247 | C | 91 | Very high | 89.6 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 46% | 0.459 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 174.3 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | I243 T244 T245 E249 T250 | I243-C247 PolarHBondContact O-N 3.09Å; I243-C247 PolarHBondContact O-SG 3.43Å; I243-C247 VanDerWaalsContact O-SG 3.33Å; T244-C247 PolarHBondContact O-N 3.21Å; T244-C247 VanDerWaalsContact O-N 3.15Å; T245-C247 VanDerWaalsContact C-N 3.34Å; T245-C247 PolarHBondContact O-N 3.16Å; C247-E249 VanDerWaalsContact C-N 3.33Å; C247-E249 PolarHBondContact O-N 3.02Å; C247-T250 PolarHBondContact O-N 3.43Å; C247-T250 VanDerWaalsContact O-N 3.11Å; C247-T250 PolarHBondContact O-OG1 3.03Å |
| 248 | L | 92.5 | Very high | 88.7 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -32.6 | -179.6 | -65.3 | 174.7 | 0 | 0 | 0 | 112.5 | T244 T245 T250 H251 F254 L282 | T244-L248 HydrophobicContact CG2-CD1 3.96Å; T244-L248 HydrophobicContact CG2-CG 4.26Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.11Å; T245-L248 PolarHBondContact O-N 3.45Å; T245-L248 VanDerWaalsContact O-N 3.16Å; L248-T250 PolarHBondContact O-N 3.5Å; L248-T250 VanDerWaalsContact O-N 3.14Å; L248-H251 WeakPolarHBondContact O-CB 3.35Å; L248-H251 PolarHBondContact O-N 2.9Å; L248-F254 HydrophobicContact CB-CD2 4.05Å; L248-F254 HydrophobicContact CB-CE2 4.06Å; L248-F254 HydrophobicContact CD2-CD2 4.47Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.48Å; L248-F254 HydrophobicContact CG-CE2 4.34Å; L248-F254 WeakPolarHBondContact O-CD2 3.18Å; L248-L282 HydrophobicContact CB-CD2 3.58Å |
| 249 | E | 87.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.4 | 172.8 | -77.9 | -176.7 | -176.5 | 0 | 0 | 112.7 | T245 C247 N255 T278 L282 R354 | T245-E249 WeakPolarHBondContact O-CG 3.48Å; T245-E249 PolarHBondContact O-N 3.48Å; C247-E249 VanDerWaalsContact C-N 3.33Å; C247-E249 PolarHBondContact O-N 3.02Å; E249-N255 PolarHBondContact O-OD1 2.99Å; E249-T278 HydrophobicContact CB-CG2 4.19Å; E249-T278 HydrophobicContact CG-CG2 4.13Å; E249-L282 HydrophobicContact CB-CD2 4.38Å; E249-L282 HydrophobicContact CG-CB 4.29Å; E249-L282 HydrophobicContact CG-CD2 3.78Å; E249-R354 IonicContact OE1-NH1 2.82Å; E249-R354 PolarHBondContact OE1-NH1 3.34Å; E249-R354 IonicContact OE2-NH1 3.41Å; E249-R354 PolarHBondContact OE2-NH1 3Å |
| 250 | T | 87 | Confident | 86.6 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -13.8 | 177.6 | 69 | 0 | 0 | 0 | 0 | 113.6 | C247 L248 | C247-T250 PolarHBondContact O-N 3.43Å; C247-T250 VanDerWaalsContact O-N 3.11Å; C247-T250 PolarHBondContact O-OG1 3.03Å; L248-T250 PolarHBondContact O-N 3.5Å; L248-T250 VanDerWaalsContact O-N 3.14Å |
| 251 | H | 90.6 | Very high | 85.5 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 44% | 0.44 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -80.1 | 134.3 | -175.9 | -172.3 | -76.6 | 0 | 0 | 0 | 110.7 | L248 A253 F254 | L248-H251 WeakPolarHBondContact O-CB 3.35Å; L248-H251 PolarHBondContact O-N 2.9Å; H251-A253 VanDerWaalsContact ND1-CB 3.26Å; H251-A253 WeakPolarHBondContact ND1-CB 3.25Å; H251-A253 PolarHBondContact ND1-N 2.83Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 3.31Å; H251-A253 VanDerWaalsContact O-N 3.08Å; H251-F254 HydrophobicContact CB-CD2 4.2Å; H251-F254 PolarHBondContact O-N 3.47Å |
| 252 | E | 89.1 | Confident | 84.1 | Confident | 161 Ų | 161 | 71.1 Ų | 71.1 | 75% | 0.752 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -53.7 | -34.5 | -175.6 | 61.6 | -178.9 | -178.3 | 0 | 0 | 113.8 | F254 N255 | E252-F254 PolarHBondContact O-N 3.38Å; E252-N255 PolarHBondContact O-N 3.01Å; E252-N255 VanDerWaalsContact O-N 3.13Å |
| 253 | A | 89.4 | Confident | 82.7 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -60.5 | -24.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H251 | H251-A253 VanDerWaalsContact ND1-CB 3.26Å; H251-A253 WeakPolarHBondContact ND1-CB 3.25Å; H251-A253 PolarHBondContact ND1-N 2.83Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 3.31Å; H251-A253 VanDerWaalsContact O-N 3.08Å |
| 254 | F | 88.4 | Confident | 81.5 | Confident | 59 Ų | 59 | 77.2 Ų | 77.2 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -104.3 | 2.6 | 179.1 | -61.7 | -76.8 | 0 | 0 | 0 | 113.1 | L248 H251 E252 D279 L282 | L248-F254 HydrophobicContact CB-CD2 4.05Å; L248-F254 HydrophobicContact CB-CE2 4.06Å; L248-F254 HydrophobicContact CD2-CD2 4.47Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.48Å; L248-F254 HydrophobicContact CG-CE2 4.34Å; L248-F254 WeakPolarHBondContact O-CD2 3.18Å; H251-F254 HydrophobicContact CB-CD2 4.2Å; H251-F254 PolarHBondContact O-N 3.47Å; E252-F254 PolarHBondContact O-N 3.38Å; F254-D279 HydrophobicContact CB-CB 4.44Å; F254-D279 HydrophobicContact CD1-CB 4.32Å; F254-D279 PolarHBondContact O-N 3.02Å; F254-L282 HydrophobicContact CB-CD1 4.23Å; F254-L282 HydrophobicContact CB-CD2 4.26Å; F254-L282 HydrophobicContact CD1-CD1 3.31Å; F254-L282 HydrophobicContact CD1-CD2 4.43Å; F254-L282 HydrophobicContact CE1-CD1 3.78Å; F254-L282 HydrophobicContact CG-CD1 3.87Å; F254-L282 HydrophobicContact CG-CD2 4.2Å |
| 255 | N | 85.4 | Confident | 80.1 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 97.7 | 177.8 | -77.1 | -25 | 0 | 0 | 0 | 109.6 | E249 E252 I276 | E249-N255 PolarHBondContact O-OD1 2.99Å; E252-N255 PolarHBondContact O-N 3.01Å; E252-N255 VanDerWaalsContact O-N 3.13Å; N255-I276 HydrophobicContact CB-CG2 3.66Å |
| 256 | I | 80.5 | Confident | 78.8 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118 | -179.5 | -56 | 175.8 | 0 | 0 | 0 | 108.7 | K258 E277 D279 | I256-K258 HydrophobicContact CG2-CG 4.43Å; I256-K258 PolarHBondContact O-N 3.45Å; I256-E277 PolarHBondContact N-O 3.28Å; I256-E277 PolarHBondContact O-N 2.92Å; I256-D279 HydrophobicContact CD1-CB 4.14Å |
| 257 | V | 80.5 | Confident | 77.4 | Confident | 85 Ų | 85 | 88.9 Ų | 88.9 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 114 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | Y274 | V257-Y274 HydrophobicContact CG1-CD1 3.78Å; V257-Y274 HydrophobicContact CG1-CG 4.41Å |
| 258 | K | 75.2 | Confident | 76.3 | Confident | 97 Ų | 97 | 91.6 Ų | 91.6 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135 | 171.8 | -68.4 | -167.2 | -173 | 165.1 | 0 | 110.7 | I256 E275 E277 | I256-K258 HydrophobicContact CG2-CG 4.43Å; I256-K258 PolarHBondContact O-N 3.45Å; K258-E275 PolarHBondContact N-O 3.19Å; K258-E275 PolarHBondContact O-N 3.37Å; K258-E277 HydrophobicContact CD-CG 4.49Å; K258-E277 VanDerWaalsContact CD-OE2 3.27Å; K258-E277 WeakPolarHBondContact CD-OE2 3.44Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.66Å; K258-E277 PolarHBondContact NZ-OE2 2.85Å |
| 259 | N | 72.5 | Confident | 74.8 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 107.4 | 175.3 | -61.6 | -16.5 | 0 | 0 | 0 | 108.7 | L272 Y274 | N259-L272 HydrophobicContact CB-CD2 4.11Å; N259-L272 HydrophobicContact CB-CG 4.41Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.29Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.31Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.35Å |
| 260 | K | 67.9 | Low | 73.7 | Confident | 84 Ų | 84 | 95.9 Ų | 95.9 | 37% | 0.365 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.2 | 171.4 | -76.4 | -179.3 | -177.2 | 159.7 | 0 | 109.6 | Q273 E275 E277 | K260-Q273 PolarHBondContact N-O 3.33Å; K260-Q273 PolarHBondContact O-N 3.18Å; K260-E275 WeakPolarHBondContact CD-OE2 3.16Å; K260-E275 IonicContact NZ-OE2 3.05Å; K260-E275 PolarHBondContact NZ-OE2 3.15Å; K260-E277 WeakPolarHBondContact CE-OE1 3.31Å; K260-E277 IonicContact NZ-OE1 2.68Å; K260-E277 PolarHBondContact NZ-OE1 3.47Å |
| 261 | T | 68.4 | Low | 72.8 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 106 | 174.4 | 36.3 | 0 | 0 | 0 | 0 | 108.8 | V270 L272 | T261-V270 VanDerWaalsContact CB-CG1 3.4Å; T261-V270 HydrophobicContact CG2-CG1 3.34Å; T261-L272 HydrophobicContact CG2-CD1 4.06Å |
| 262 | E | 64.5 | Low | 71.6 | Confident | 97 Ų | 97 | 94.1 Ų | 94.1 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.9 | 170.9 | -70.6 | -160.8 | 155.9 | 0 | 0 | 109.3 | V264 V271 K341 | E262-V264 PolarHBondContact O-N 3.42Å; E262-V271 PolarHBondContact N-O 3.46Å; E262-V271 PolarHBondContact O-N 2.9Å; E262-K341 IonicContact OE1-NZ 3.16Å |
| 263 | P | 61.9 | Low | 70.5 | Confident | 107 Ų | 107 | 91.4 Ų | 91.4 | 70% | 0.695 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 121.1 | 172.5 | 28.1 | -31.3 | 0 | 0 | 0 | 109 | ||
| 264 | V | 66 | Low | 69.5 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 40% | 0.4 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 146.5 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | E262 N266 G267 S269 V271 | E262-V264 PolarHBondContact O-N 3.42Å; V264-N266 PolarHBondContact O-N 3.22Å; V264-G267 PolarHBondContact O-N 3.33Å; V264-S269 WeakPolarHBondContact CB-O 3.19Å; V264-S269 WeakPolarHBondContact CG2-O 3.28Å; V264-S269 PolarHBondContact N-O 2.83Å; V264-S269 VanDerWaalsContact N-O 3.13Å; V264-V271 HydrophobicContact CG2-CB 4.28Å; V264-V271 HydrophobicContact CG2-CG2 3.5Å; V264-V271 VanDerWaalsContact CG2-CG2 3.5Å |
| 265 | I | 63.9 | Low | 68.7 | Low | 171 Ų | 171 | 95 Ų | 95 | 88% | 0.877 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -5 | -172.1 | -67 | 169.7 | 0 | 0 | 0 | 115.4 | ||
| 266 | N | 64.1 | Low | 68.2 | Low | 132 Ų | 132 | 97 Ų | 97 | 71% | 0.706 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 7.3 | 173.8 | -68 | -12.3 | 0 | 0 | 0 | 114.9 | V264 T268 | V264-N266 PolarHBondContact O-N 3.22Å; N266-T268 PolarHBondContact O-N 3.48Å |
| 267 | G | 59.5 | Low | 68.1 | Low | 71 Ų | 71 | 96 Ų | 96 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 66.7 | -6.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V264 | V264-G267 PolarHBondContact O-N 3.33Š|
| 268 | T | 66.8 | Low | 68.2 | Low | 124 Ų | 124 | 93.2 Ų | 93.2 | 76% | 0.761 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -103.2 | -7.6 | -174.3 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | N266 | N266-T268 PolarHBondContact O-N 3.48Š|
| 269 | S | 61.6 | Low | 68.8 | Low | 69 Ų | 69 | 90.8 Ų | 90.8 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | trans | -137.7 | 126.2 | -178.5 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | V264 | V264-S269 WeakPolarHBondContact CB-O 3.19Å; V264-S269 WeakPolarHBondContact CG2-O 3.28Å; V264-S269 PolarHBondContact N-O 2.83Å; V264-S269 VanDerWaalsContact N-O 3.13Å | ||
| 270 | V | 64.6 | Low | 69.5 | Low | 101 Ų | 101 | 89.2 Ų | 89.2 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.4 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | T261 | T261-V270 VanDerWaalsContact CB-CG1 3.4Å; T261-V270 HydrophobicContact CG2-CG1 3.34Å |
| 271 | V | 67.9 | Low | 70.7 | Confident | 82 Ų | 82 | 87.7 Ų | 87.7 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.3 | 172.6 | 176 | 0 | 0 | 0 | 0 | 107.5 | E262 V264 Q273 | E262-V271 PolarHBondContact N-O 3.46Å; E262-V271 PolarHBondContact O-N 2.9Å; V264-V271 HydrophobicContact CG2-CB 4.28Å; V264-V271 HydrophobicContact CG2-CG2 3.5Å; V264-V271 VanDerWaalsContact CG2-CG2 3.5Å; V271-Q273 PolarHBondContact O-N 2.93Å |
| 272 | L | 65.4 | Low | 71.8 | Confident | 79 Ų | 79 | 84 Ų | 84 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 107.9 | 174.7 | -155.6 | 123.8 | 0 | 0 | 0 | 107.7 | N259 T261 Y274 | N259-L272 HydrophobicContact CB-CD2 4.11Å; N259-L272 HydrophobicContact CB-CG 4.41Å; T261-L272 HydrophobicContact CG2-CD1 4.06Å; L272-Y274 HydrophobicContact CD2-CD1 4.19Å; L272-Y274 HydrophobicContact CD2-CE1 3.56Å; L272-Y274 HydrophobicContact CD2-CE2 4.08Å; L272-Y274 VanDerWaalsContact CD2-CZ 3.49Å |
| 273 | Q | 65.8 | Low | 73 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.7 | 176.8 | -168.2 | 171.1 | -26.4 | 0 | 0 | 108.7 | K260 V271 E275 | K260-Q273 PolarHBondContact N-O 3.33Å; K260-Q273 PolarHBondContact O-N 3.18Å; V271-Q273 PolarHBondContact O-N 2.93Å; Q273-E275 PolarHBondContact O-N 2.75Å |
| 274 | Y | 68.2 | Low | 74.4 | Confident | 158 Ų | 158 | 85.5 Ų | 85.5 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.4 | 172.4 | -59.2 | -79.7 | 0 | 0 | 0 | 108.5 | V257 N259 L272 | V257-Y274 HydrophobicContact CG1-CD1 3.78Å; V257-Y274 HydrophobicContact CG1-CG 4.41Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.29Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.31Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.35Å; L272-Y274 HydrophobicContact CD2-CD1 4.19Å; L272-Y274 HydrophobicContact CD2-CE1 3.56Å; L272-Y274 HydrophobicContact CD2-CE2 4.08Å; L272-Y274 VanDerWaalsContact CD2-CZ 3.49Å |
| 275 | E | 71.7 | Confident | 75.8 | Confident | 50 Ų | 50 | 85.3 Ų | 85.3 | 23% | 0.234 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.9 | 170.8 | -168.6 | 169.1 | -172.3 | 0 | 0 | 109.2 | K258 K260 Q273 E277 R348 | K258-E275 PolarHBondContact N-O 3.19Å; K258-E275 PolarHBondContact O-N 3.37Å; K260-E275 WeakPolarHBondContact CD-OE2 3.16Å; K260-E275 IonicContact NZ-OE2 3.05Å; K260-E275 PolarHBondContact NZ-OE2 3.15Å; Q273-E275 PolarHBondContact O-N 2.75Å; E275-E277 HydrophobicContact CG-CG 4.27Å; E275-E277 PolarHBondContact O-N 3.33Å; E275-R348 IonicContact OE1-CZ 3.9Å; E275-R348 IonicContact OE1-NH1 4Å; E275-R348 IonicContact OE1-NH2 3.78Å; E275-R348 PolarHBondContact OE1-NH2 3.44Å |
| 276 | I | 75.7 | Confident | 77.1 | Confident | 96 Ų | 96 | 77.2 Ų | 77.2 | 49% | 0.492 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111 | 173 | -58.3 | 170.9 | 0 | 0 | 0 | 107 | N255 | N255-I276 HydrophobicContact CB-CG2 3.66Å |
| 277 | E | 78.9 | Confident | 78.5 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 23% | 0.234 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.8 | 173.5 | -67.7 | -174.8 | -171.7 | 0 | 0 | 109.2 | I256 K258 K260 E275 | I256-E277 PolarHBondContact N-O 3.28Å; I256-E277 PolarHBondContact O-N 2.92Å; K258-E277 HydrophobicContact CD-CG 4.49Å; K258-E277 VanDerWaalsContact CD-OE2 3.27Å; K258-E277 WeakPolarHBondContact CD-OE2 3.44Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.66Å; K258-E277 PolarHBondContact NZ-OE2 2.85Å; K260-E277 WeakPolarHBondContact CE-OE1 3.31Å; K260-E277 IonicContact NZ-OE1 2.68Å; K260-E277 PolarHBondContact NZ-OE1 3.47Å; E275-E277 HydrophobicContact CG-CG 4.27Å; E275-E277 PolarHBondContact O-N 3.33Å |
| 278 | T | 82.7 | Confident | 80.2 | Confident | 26 Ų | 26 | 72.2 Ų | 72.2 | 16% | 0.16 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 144.4 | 175.1 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | E249 | E249-T278 HydrophobicContact CB-CG2 4.19Å; E249-T278 HydrophobicContact CG-CG2 4.13Å |
| 279 | D | 87.1 | Confident | 81.5 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | trans | -50.3 | 126.7 | 175.3 | -175.1 | -33 | 0 | 0 | 0 | 110.9 | F254 I256 A281 L282 | F254-D279 HydrophobicContact CB-CB 4.44Å; F254-D279 HydrophobicContact CD1-CB 4.32Å; F254-D279 PolarHBondContact O-N 3.02Å; I256-D279 HydrophobicContact CD1-CB 4.14Å; D279-A281 PolarHBondContact O-N 3.28Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 WeakPolarHBondContact OD1-CB 3.49Å; D279-A281 PolarHBondContact OD1-N 3.09Å; D279-L282 HydrophobicContact CB-CD1 3.96Å; D279-L282 PolarHBondContact O-N 3.13Å | ||
| 280 | P | 87.8 | Confident | 83 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.7 | -29.9 | -178.7 | 22.4 | -35 | 0 | 0 | 0 | 113.3 | L282 T283 Y284 | P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 2.84Å; P280-T283 PolarHBondContact O-N 3.25Å; P280-Y284 HydrophobicContact CB-CD2 4.5Å; P280-Y284 HydrophobicContact CB-CE2 4.19Å; P280-Y284 WeakPolarHBondContact O-CD2 3.29Å; P280-Y284 PolarHBondContact O-N 2.88Å |
| 281 | A | 92.3 | Very high | 84.5 | Confident | 52 Ų | 52 | 62.6 Ų | 62.6 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D279 Y284 V285 | D279-A281 PolarHBondContact O-N 3.28Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 WeakPolarHBondContact OD1-CB 3.49Å; D279-A281 PolarHBondContact OD1-N 3.09Å; A281-Y284 PolarHBondContact O-N 3.38Å; A281-V285 WeakPolarHBondContact O-CG2 3.31Å; A281-V285 PolarHBondContact O-N 2.92Å; A281-V285 VanDerWaalsContact O-N 3.09Å |
| 282 | L | 91.8 | Very high | 85.8 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 178 | -82.2 | 80.4 | 0 | 0 | 0 | 110.9 | T245 L248 E249 F254 D279 P280 Y284 V285 E286 | T245-L282 HydrophobicContact CG2-CB 3.9Å; T245-L282 HydrophobicContact CG2-CD2 4.23Å; T245-L282 HydrophobicContact CG2-CG 4.12Å; T245-L282 WeakPolarHBondContact CG2-O 3.47Å; L248-L282 HydrophobicContact CB-CD2 3.58Å; E249-L282 HydrophobicContact CB-CD2 4.38Å; E249-L282 HydrophobicContact CG-CB 4.29Å; E249-L282 HydrophobicContact CG-CD2 3.78Å; F254-L282 HydrophobicContact CB-CD1 4.23Å; F254-L282 HydrophobicContact CB-CD2 4.26Å; F254-L282 HydrophobicContact CD1-CD1 3.31Å; F254-L282 HydrophobicContact CD1-CD2 4.43Å; F254-L282 HydrophobicContact CE1-CD1 3.78Å; F254-L282 HydrophobicContact CG-CD1 3.87Å; F254-L282 HydrophobicContact CG-CD2 4.2Å; D279-L282 HydrophobicContact CB-CD1 3.96Å; D279-L282 PolarHBondContact O-N 3.13Å; P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 2.84Å; L282-Y284 VanDerWaalsContact C-N 3.32Å; L282-Y284 PolarHBondContact O-N 2.99Å; L282-V285 PolarHBondContact O-N 3.32Å; L282-E286 WeakPolarHBondContact O-CB 3.39Å; L282-E286 PolarHBondContact O-N 3.36Å |
| 283 | T | 88.5 | Confident | 87.1 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 176 | -52 | 0 | 0 | 0 | 0 | 112 | P280 G287 | P280-T283 PolarHBondContact O-N 3.25Å; T283-G287 PolarHBondContact O-N 2.97Å |
| 284 | Y | 92.6 | Very high | 88.5 | Confident | 178 Ų | 178 | 53.8 Ų | 53.8 | 70% | 0.698 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65 | -45.4 | 174.1 | -75.1 | -66.1 | 0 | 0 | 0 | 112.3 | P280 A281 L282 E286 G287 V288 | P280-Y284 HydrophobicContact CB-CD2 4.5Å; P280-Y284 HydrophobicContact CB-CE2 4.19Å; P280-Y284 WeakPolarHBondContact O-CD2 3.29Å; P280-Y284 PolarHBondContact O-N 2.88Å; A281-Y284 PolarHBondContact O-N 3.38Å; L282-Y284 VanDerWaalsContact C-N 3.32Å; L282-Y284 PolarHBondContact O-N 2.99Å; Y284-E286 VanDerWaalsContact C-N 3.33Å; Y284-E286 PolarHBondContact O-N 3.41Å; Y284-G287 PolarHBondContact O-N 3.21Å; Y284-V288 WeakPolarHBondContact O-CG2 3.35Å; Y284-V288 PolarHBondContact O-N 2.84Å |
| 285 | V | 94.5 | Very high | 89.8 | Confident | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | V241 T245 A281 L282 G287 V288 C289 | V241-V285 HydrophobicContact CG1-CG1 3.69Å; T245-V285 WeakPolarHBondContact OG1-CG1 3.19Å; A281-V285 WeakPolarHBondContact O-CG2 3.31Å; A281-V285 PolarHBondContact O-N 2.92Å; A281-V285 VanDerWaalsContact O-N 3.09Å; L282-V285 PolarHBondContact O-N 3.32Å; V285-G287 VanDerWaalsContact C-N 3.33Å; V285-G287 PolarHBondContact O-N 3.25Å; V285-V288 PolarHBondContact O-N 3.11Å; V285-C289 PolarHBondContact O-N 3.32Å; V285-C289 VanDerWaalsContact O-N 3.08Å; V285-C289 PolarHBondContact O-SG 2.91Å |
| 286 | E | 91.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.5 | 178.9 | 62 | -169.9 | 0 | 0 | 111.1 | S242 T245 L282 Y284 V288 C289 V290 F326 R357 | S242-E286 PolarHBondContact OG-OE2 3.14Å; T245-E286 HydrophobicContact CG2-CB 4.28Å; L282-E286 WeakPolarHBondContact O-CB 3.39Å; L282-E286 PolarHBondContact O-N 3.36Å; Y284-E286 VanDerWaalsContact C-N 3.33Å; Y284-E286 PolarHBondContact O-N 3.41Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 3.15Å; E286-C289 WeakPolarHBondContact O-CB 3.47Å; E286-C289 PolarHBondContact O-N 3.39Å; E286-C289 VanDerWaalsContact O-N 3.14Å; E286-V290 HydrophobicContact CG-CG2 4.37Å; E286-V290 WeakPolarHBondContact O-CG2 3.5Å; E286-V290 PolarHBondContact O-N 3.07Å; E286-F326 HydrophobicContact CG-CD2 4.09Å; E286-F326 HydrophobicContact CG-CE2 4.46Å; E286-R357 VanDerWaalsContact CD-NH2 3.32Å; E286-R357 IonicContact OE1-CZ 2.88Å; E286-R357 VanDerWaalsContact OE1-CZ 3.24Å; E286-R357 IonicContact OE1-NH1 3.62Å; E286-R357 PolarHBondContact OE1-NH1 3.15Å; E286-R357 IonicContact OE1-NH2 2.67Å; E286-R357 PolarHBondContact OE1-NH2 3.09Å; E286-R357 IonicContact OE2-CZ 2.85Å; E286-R357 IonicContact OE2-NH1 3.56Å; E286-R357 IonicContact OE2-NH2 3.25Å; E286-R357 PolarHBondContact OE2-NH2 2.94Å |
| 287 | G | 92.8 | Very high | 91.6 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.2 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T283 Y284 V285 C289 V290 V291 | T283-G287 PolarHBondContact O-N 2.97Å; Y284-G287 PolarHBondContact O-N 3.21Å; V285-G287 VanDerWaalsContact C-N 3.33Å; V285-G287 PolarHBondContact O-N 3.25Å; G287-C289 PolarHBondContact O-N 3.03Å; G287-V290 PolarHBondContact O-N 2.92Å; G287-V291 VanDerWaalsContact O-CG2 3.26Å; G287-V291 WeakPolarHBondContact O-CG2 3.49Å; G287-V291 PolarHBondContact O-N 3.4Å |
| 288 | V | 95.2 | Very high | 92.4 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | F238 Y284 V285 E286 V291 W292 | F238-V288 HydrophobicContact CE1-CG1 4.1Å; Y284-V288 WeakPolarHBondContact O-CG2 3.35Å; Y284-V288 PolarHBondContact O-N 2.84Å; V285-V288 PolarHBondContact O-N 3.11Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 3.15Å; V288-V291 PolarHBondContact O-N 3.32Å; V288-W292 PolarHBondContact O-N 2.99Å; V288-W292 VanDerWaalsContact O-N 3.12Å |
| 289 | C | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 177 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | F238 V285 E286 G287 V291 W292 F293 | F238-C289 HydrophobicContact CD1-CB 4.42Å; V285-C289 PolarHBondContact O-N 3.32Å; V285-C289 VanDerWaalsContact O-N 3.08Å; V285-C289 PolarHBondContact O-SG 2.91Å; E286-C289 WeakPolarHBondContact O-CB 3.47Å; E286-C289 PolarHBondContact O-N 3.39Å; E286-C289 VanDerWaalsContact O-N 3.14Å; G287-C289 PolarHBondContact O-N 3.03Å; C289-V291 VanDerWaalsContact C-N 3.34Å; C289-V291 PolarHBondContact O-N 2.69Å; C289-W292 WeakPolarHBondContact O-CB 3.49Å; C289-W292 PolarHBondContact O-N 3.32Å; C289-F293 HydrophobicContact CB-CE2 4.17Å; C289-F293 VanDerWaalsContact O-CD2 3.26Å; C289-F293 WeakPolarHBondContact O-CD2 3.34Å; C289-F293 WeakPolarHBondContact O-CG 3.5Å; C289-F293 PolarHBondContact O-N 3.13Å |
| 290 | V | 93.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | E286 G287 W292 F293 T294 I323 F326 Y327 | E286-V290 HydrophobicContact CG-CG2 4.37Å; E286-V290 WeakPolarHBondContact O-CG2 3.5Å; E286-V290 PolarHBondContact O-N 3.07Å; G287-V290 PolarHBondContact O-N 2.92Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 3.43Å; V290-F293 PolarHBondContact O-N 3.01Å; V290-T294 VanDerWaalsContact O-CB 3.27Å; V290-T294 WeakPolarHBondContact O-CB 3.22Å; V290-T294 PolarHBondContact O-N 3.41Å; V290-T294 PolarHBondContact O-OG1 3.17Å; V290-I323 HydrophobicContact CG1-CB 4.22Å; V290-I323 HydrophobicContact CG1-CG2 4.31Å; V290-F326 HydrophobicContact CB-CB 4.45Å; V290-F326 HydrophobicContact CB-CD1 4.12Å; V290-F326 HydrophobicContact CB-CG 4.2Å; V290-F326 HydrophobicContact CG1-CB 4.1Å; V290-F326 HydrophobicContact CG1-CD1 3.75Å; V290-F326 HydrophobicContact CG1-CG 4.08Å; V290-F326 HydrophobicContact CG2-CB 3.85Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 4.27Å; V290-F326 HydrophobicContact CG2-CG 3.9Å; V290-Y327 HydrophobicContact CG1-CD2 4.26Å; V290-Y327 HydrophobicContact CG1-CE2 3.66Å |
| 291 | V | 95 | Very high | 93.3 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 173.9 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | G287 V288 C289 T294 F295 | G287-V291 VanDerWaalsContact O-CG2 3.26Å; G287-V291 WeakPolarHBondContact O-CG2 3.49Å; G287-V291 PolarHBondContact O-N 3.4Å; V288-V291 PolarHBondContact O-N 3.32Å; C289-V291 VanDerWaalsContact C-N 3.34Å; C289-V291 PolarHBondContact O-N 2.69Å; V291-T294 PolarHBondContact O-N 3.16Å; V291-F295 WeakPolarHBondContact O-CB 3.34Å; V291-F295 PolarHBondContact O-N 3.48Å |
| 292 | W | 95.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 175.1 | 179 | -93.1 | 0 | 0 | 0 | 112.3 | A234 F238 V288 C289 V290 T294 F295 E296 | A234-W292 HydrophobicContact CB-CH2 4.18Å; A234-W292 HydrophobicContact CB-CZ2 3.81Å; F238-W292 HydrophobicContact CB-CG 4.3Å; F238-W292 HydrophobicContact CD1-CB 4.18Å; F238-W292 HydrophobicContact CD1-CG 4.37Å; F238-W292 HydrophobicContact CD2-CB 4.05Å; F238-W292 AromaticContact CD2-CD1 3.46Å; F238-W292 VanDerWaalsContact CD2-CD1 3.46Å; F238-W292 AromaticContact CD2-CD2 3.55Å; F238-W292 HydrophobicContact CD2-CD2 3.55Å; F238-W292 AromaticContact CD2-CE2 3.73Å; F238-W292 HydrophobicContact CD2-CE3 4.27Å; F238-W292 AromaticContact CD2-CG 3.39Å; F238-W292 HydrophobicContact CD2-CG 3.39Å; F238-W292 AromaticContact CD2-NE1 3.67Å; F238-W292 HydrophobicContact CE1-CB 4.32Å; F238-W292 HydrophobicContact CE2-CB 4.2Å; F238-W292 AromaticContact CE2-CD2 3.51Å; F238-W292 HydrophobicContact CE2-CD2 3.51Å; F238-W292 AromaticContact CE2-CE2 3.98Å; F238-W292 AromaticContact CE2-CE3 3.75Å; F238-W292 HydrophobicContact CE2-CE3 3.75Å; F238-W292 AromaticContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CZ3 4.38Å; F238-W292 HydrophobicContact CG-CB 4.05Å; F238-W292 AromaticContact CG-CD1 3.74Å; F238-W292 HydrophobicContact CG-CD2 4.4Å; F238-W292 AromaticContact CG-CG 3.77Å; F238-W292 HydrophobicContact CG-CG 3.77Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.33Å; F238-W292 HydrophobicContact CZ-CE3 4.36Å; F238-W292 HydrophobicContact CZ-CG 4.31Å; V288-W292 PolarHBondContact O-N 2.99Å; V288-W292 VanDerWaalsContact O-N 3.12Å; C289-W292 WeakPolarHBondContact O-CB 3.49Å; C289-W292 PolarHBondContact O-N 3.32Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 3.43Å; W292-T294 VanDerWaalsContact C-N 3.26Å; W292-T294 PolarHBondContact O-N 2.91Å; W292-F295 WeakPolarHBondContact O-CB 3.34Å; W292-F295 PolarHBondContact O-N 2.88Å; W292-E296 VanDerWaalsContact CD1-OE2 3.25Å; W292-E296 PolarHBondContact NE1-OE2 3.15Å; W292-E296 PolarHBondContact O-N 3.08Å |
| 293 | F | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.8 | -34.5 | 178.3 | -64.8 | -31.6 | 0 | 0 | 0 | 113.2 | F238 I239 C289 V290 F297 I323 K360 | F238-F293 HydrophobicContact CB-CE1 3.92Å; F238-F293 HydrophobicContact CB-CZ 4.12Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.9Å; C289-F293 HydrophobicContact CB-CE2 4.17Å; C289-F293 VanDerWaalsContact O-CD2 3.26Å; C289-F293 WeakPolarHBondContact O-CD2 3.34Å; C289-F293 WeakPolarHBondContact O-CG 3.5Å; C289-F293 PolarHBondContact O-N 3.13Å; V290-F293 PolarHBondContact O-N 3.01Å; F293-F297 VanDerWaalsContact O-CB 3.32Å; F293-F297 WeakPolarHBondContact O-CB 3.44Å; F293-F297 PolarHBondContact O-N 3.49Å; F293-I323 HydrophobicContact CB-CG2 3.6Å; F293-K360 HydrophobicContact CD1-CD 4.46Å |
| 294 | T | 94.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | 176.1 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | V290 V291 W292 E296 F297 L298 I323 Y327 | V290-T294 VanDerWaalsContact O-CB 3.27Å; V290-T294 WeakPolarHBondContact O-CB 3.22Å; V290-T294 PolarHBondContact O-N 3.41Å; V290-T294 PolarHBondContact O-OG1 3.17Å; V291-T294 PolarHBondContact O-N 3.16Å; W292-T294 VanDerWaalsContact C-N 3.26Å; W292-T294 PolarHBondContact O-N 2.91Å; T294-E296 PolarHBondContact O-N 2.97Å; T294-F297 PolarHBondContact O-N 2.85Å; T294-L298 HydrophobicContact CG2-CD1 3.87Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.29Å; T294-L298 WeakPolarHBondContact O-CB 3.42Å; T294-L298 WeakPolarHBondContact O-CG 3.22Å; T294-L298 PolarHBondContact O-N 3.44Å; T294-I323 HydrophobicContact CG2-CD1 4.4Å; T294-Y327 HydrophobicContact CG2-CE2 4.23Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.24Å; T294-Y327 VanDerWaalsContact OG1-CE2 3.28Å; T294-Y327 WeakPolarHBondContact OG1-CE2 2.96Å; T294-Y327 PolarHBondContact OG1-OH 2.71Å; T294-Y327 VanDerWaalsContact OG1-OH 3.08Å |
| 295 | F | 95 | Very high | 93.2 | Very high | 98 Ų | 98 | 36.4 Ų | 36.4 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.2 | -49.5 | 172.7 | 168.7 | -103.1 | 0 | 0 | 0 | 111.4 | F219 V291 W292 F297 L298 V299 | F219-F295 HydrophobicContact CE1-CD1 4.49Å; F219-F295 AromaticContact CE1-CE1 3.93Å; F219-F295 HydrophobicContact CE1-CE1 3.93Å; F219-F295 AromaticContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CZ 4.1Å; V291-F295 WeakPolarHBondContact O-CB 3.34Å; V291-F295 PolarHBondContact O-N 3.48Å; W292-F295 WeakPolarHBondContact O-CB 3.34Å; W292-F295 PolarHBondContact O-N 2.88Å; F295-F297 PolarHBondContact O-N 3.28Å; F295-L298 PolarHBondContact O-N 3.25Å; F295-V299 HydrophobicContact CD2-CG2 4.02Å; F295-V299 HydrophobicContact CE1-CG2 4.32Å; F295-V299 HydrophobicContact CE2-CG2 3.62Å; F295-V299 HydrophobicContact CZ-CG2 3.79Å; F295-V299 WeakPolarHBondContact O-CB 3.44Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.29Å; F295-V299 PolarHBondContact O-N 2.93Å |
| 296 | E | 93.2 | Very high | 93 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 176.2 | -74.4 | -168 | 74.3 | 0 | 0 | 112.4 | F219 S235 W292 T294 L298 V299 R300 | F219-E296 HydrophobicContact CD1-CG 4.32Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; S235-E296 PolarHBondContact OG-OE1 3.46Å; S235-E296 PolarHBondContact OG-OE2 3.26Å; W292-E296 VanDerWaalsContact CD1-OE2 3.25Å; W292-E296 PolarHBondContact NE1-OE2 3.15Å; W292-E296 PolarHBondContact O-N 3.08Å; T294-E296 PolarHBondContact O-N 2.97Å; E296-L298 PolarHBondContact O-N 3.37Å; E296-V299 PolarHBondContact O-N 2.86Å; E296-R300 WeakPolarHBondContact O-CG 3.43Å; E296-R300 PolarHBondContact O-N 2.93Å; E296-R300 IonicContact OE1-CZ 3.87Å; E296-R300 IonicContact OE1-NH1 2.69Å; E296-R300 PolarHBondContact OE1-NH1 3.46Å; E296-R300 IonicContact OE1-NH2 2.98Å; E296-R300 PolarHBondContact OE1-NH2 3.42Å |
| 297 | F | 93 | Very high | 93 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 179.2 | 179.3 | -102 | 0 | 0 | 0 | 112 | F293 T294 F295 R300 I301 F310 D319 F320 I323 | F293-F297 VanDerWaalsContact O-CB 3.32Å; F293-F297 WeakPolarHBondContact O-CB 3.44Å; F293-F297 PolarHBondContact O-N 3.49Å; T294-F297 PolarHBondContact O-N 2.85Å; F295-F297 PolarHBondContact O-N 3.28Å; F297-R300 PolarHBondContact O-N 2.87Å; F297-I301 HydrophobicContact CZ-CD1 4.46Å; F297-I301 WeakPolarHBondContact O-CG2 3.26Å; F297-I301 PolarHBondContact O-N 3.29Å; F297-F310 HydrophobicContact CD2-CE1 4.37Å; F297-F310 HydrophobicContact CD2-CZ 4.33Å; F297-F310 AromaticContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CZ 4.15Å; F297-F310 HydrophobicContact CZ-CE1 4.23Å; F297-D319 HydrophobicContact CD2-CB 3.89Å; F297-D319 HydrophobicContact CE2-CB 4.49Å; F297-F320 HydrophobicContact CE1-CD2 4.01Å; F297-F320 HydrophobicContact CE2-CB 3.89Å; F297-F320 HydrophobicContact CZ-CB 3.89Å; F297-F320 AromaticContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CG 4.31Å; F297-I323 HydrophobicContact CD1-CD1 4.32Å |
| 298 | L | 94.5 | Very high | 92.9 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65 | -42.1 | 178.2 | -73.2 | 176.9 | 0 | 0 | 0 | 112 | T294 F295 E296 I301 V302 | T294-L298 HydrophobicContact CG2-CD1 3.87Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.29Å; T294-L298 WeakPolarHBondContact O-CB 3.42Å; T294-L298 WeakPolarHBondContact O-CG 3.22Å; T294-L298 PolarHBondContact O-N 3.44Å; F295-L298 PolarHBondContact O-N 3.25Å; E296-L298 PolarHBondContact O-N 3.37Å; L298-I301 VanDerWaalsContact O-CG2 3.31Å; L298-I301 WeakPolarHBondContact O-CG2 3.46Å; L298-V302 VanDerWaalsContact O-CB 3.28Å; L298-V302 WeakPolarHBondContact O-CB 3.11Å; L298-V302 WeakPolarHBondContact O-CG2 3.21Å; L298-V302 PolarHBondContact O-N 3.14Å |
| 299 | V | 93.4 | Very high | 92.5 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110 | M215 F219 F295 E296 V302 F303 | M215-V299 HydrophobicContact CE-CG1 4.2Å; F219-V299 HydrophobicContact CD1-CB 4.48Å; F219-V299 HydrophobicContact CD1-CG1 4.18Å; F219-V299 HydrophobicContact CD2-CG1 3.56Å; F219-V299 HydrophobicContact CE1-CB 4.38Å; F219-V299 HydrophobicContact CE1-CG1 4.22Å; F219-V299 HydrophobicContact CE2-CG1 3.63Å; F219-V299 HydrophobicContact CG-CG1 3.85Å; F219-V299 HydrophobicContact CZ-CB 4.42Å; F219-V299 HydrophobicContact CZ-CG1 3.96Å; F219-V299 HydrophobicContact CZ-CG2 4.42Å; F295-V299 HydrophobicContact CD2-CG2 4.02Å; F295-V299 HydrophobicContact CE1-CG2 4.32Å; F295-V299 HydrophobicContact CE2-CG2 3.62Å; F295-V299 HydrophobicContact CZ-CG2 3.79Å; F295-V299 WeakPolarHBondContact O-CB 3.44Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.29Å; F295-V299 PolarHBondContact O-N 2.93Å; E296-V299 PolarHBondContact O-N 2.86Å; V299-V302 PolarHBondContact O-N 3.36Å; V299-F303 HydrophobicContact CB-CD2 4.5Å; V299-F303 HydrophobicContact CG1-CD2 3.66Å; V299-F303 HydrophobicContact CG1-CE2 3.97Å; V299-F303 WeakPolarHBondContact O-CD2 3.44Å; V299-F303 PolarHBondContact O-N 3.2Å |
| 300 | R | 91.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 177.9 | -72.2 | -178 | -174.3 | 108.9 | 18.3 | 112 | W216 F219 E220 E296 F297 V302 F303 S304 F310 D319 | W216-R300 HydrophobicContact CZ3-CB 4.16Å; W216-R300 VanDerWaalsContact CZ3-O 3.26Å; W216-R300 WeakPolarHBondContact CZ3-O 3.47Å; F219-R300 HydrophobicContact CB-CG 4.04Å; F219-R300 PolarHBondContact O-NE 2.86Å; F219-R300 VanDerWaalsContact O-NE 3.15Å; F219-R300 PolarHBondContact O-NH2 2.98Å; E220-R300 IonicContact OE2-NE 2.73Å; E296-R300 WeakPolarHBondContact O-CG 3.43Å; E296-R300 PolarHBondContact O-N 2.93Å; E296-R300 IonicContact OE1-CZ 3.87Å; E296-R300 IonicContact OE1-NH1 2.69Å; E296-R300 PolarHBondContact OE1-NH1 3.46Å; E296-R300 IonicContact OE1-NH2 2.98Å; E296-R300 PolarHBondContact OE1-NH2 3.42Å; F297-R300 PolarHBondContact O-N 2.87Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 2.93Å; R300-F303 PolarHBondContact O-N 2.84Å; R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.33Å; R300-S304 PolarHBondContact O-N 3.29Å; R300-F310 HydrophobicContact CB-CE2 3.68Å; R300-F310 HydrophobicContact CB-CZ 3.78Å; R300-D319 IonicContact NH1-OD2 3.27Å; R300-D319 PolarHBondContact NH1-OD2 2.92Å |
| 301 | I | 93.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 179.7 | -162.9 | 173.4 | 0 | 0 | 0 | 111.6 | F297 L298 K307 F310 | F297-I301 HydrophobicContact CZ-CD1 4.46Å; F297-I301 WeakPolarHBondContact O-CG2 3.26Å; F297-I301 PolarHBondContact O-N 3.29Å; L298-I301 VanDerWaalsContact O-CG2 3.31Å; L298-I301 WeakPolarHBondContact O-CG2 3.46Å; I301-K307 WeakPolarHBondContact O-CD 3.39Å; I301-K307 WeakPolarHBondContact O-CE 3.29Å; I301-K307 PolarHBondContact O-NZ 2.88Å; I301-F310 HydrophobicContact CB-CD1 4.22Å; I301-F310 HydrophobicContact CB-CE1 3.81Å; I301-F310 HydrophobicContact CB-CZ 4.3Å; I301-F310 HydrophobicContact CD1-CD1 4.47Å; I301-F310 HydrophobicContact CD1-CE1 4.44Å; I301-F310 HydrophobicContact CG1-CD1 3.97Å; I301-F310 HydrophobicContact CG1-CE1 4.02Å |
| 302 | V | 93.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 179.2 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | W208 L298 V299 R300 K307 | W208-V302 HydrophobicContact CH2-CG1 4.2Å; W208-V302 HydrophobicContact CZ3-CG1 4.09Å; L298-V302 VanDerWaalsContact O-CB 3.28Å; L298-V302 WeakPolarHBondContact O-CB 3.11Å; L298-V302 WeakPolarHBondContact O-CG2 3.21Å; L298-V302 PolarHBondContact O-N 3.14Å; V299-V302 PolarHBondContact O-N 3.36Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 2.93Å; V302-K307 VanDerWaalsContact C-NZ 3.26Å; V302-K307 PolarHBondContact O-NZ 2.95Å |
| 303 | F | 92.3 | Very high | 91.3 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -93.5 | -5.6 | -176.5 | -64.1 | -68.6 | 0 | 0 | 0 | 114.9 | W208 L211 Q212 M215 W216 V299 R300 | W208-F303 HydrophobicContact CE3-CE1 4Å; W208-F303 HydrophobicContact CH2-CE1 4.18Å; W208-F303 HydrophobicContact CH2-CZ 4.43Å; W208-F303 HydrophobicContact CZ3-CD1 4.08Å; W208-F303 AromaticContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CE1 3.44Å; W208-F303 VanDerWaalsContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CZ 4.11Å; L211-F303 HydrophobicContact CD2-CE1 4.28Å; L211-F303 HydrophobicContact CD2-CZ 4.44Å; L211-F303 HydrophobicContact CG-CE1 4.35Å; Q212-F303 HydrophobicContact CB-CD1 4.38Å; Q212-F303 HydrophobicContact CG-CD1 4.5Å; Q212-F303 VanDerWaalsContact CG-O 3.24Å; Q212-F303 WeakPolarHBondContact CG-O 3.41Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 3.94Å; M215-F303 HydrophobicContact CB-CD2 3.66Å; M215-F303 HydrophobicContact CB-CE1 4.18Å; M215-F303 HydrophobicContact CB-CE2 3.96Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.2Å; M215-F303 HydrophobicContact CE-CE2 4.24Å; M215-F303 HydrophobicContact CG-CD1 4.43Å; M215-F303 HydrophobicContact CG-CD2 4.35Å; M215-F303 HydrophobicContact CG-CE1 4.18Å; M215-F303 HydrophobicContact CG-CE2 4.14Å; M215-F303 HydrophobicContact CG-CG 4.5Å; M215-F303 HydrophobicContact CG-CZ 4.04Å; W216-F303 HydrophobicContact CB-CB 4.36Å; V299-F303 HydrophobicContact CB-CD2 4.5Å; V299-F303 HydrophobicContact CG1-CD2 3.66Å; V299-F303 HydrophobicContact CG1-CE2 3.97Å; V299-F303 WeakPolarHBondContact O-CD2 3.44Å; V299-F303 PolarHBondContact O-N 3.2Å; R300-F303 PolarHBondContact O-N 2.84Å |
| 304 | S | 89.2 | Confident | 90.9 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | trans | -56.8 | 138.2 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 112.7 | Q212 W216 R300 N306 K307 | Q212-S304 PolarHBondContact NE2-O 2.96Å; W216-S304 VanDerWaalsContact CZ3-CB 3.43Å; R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.33Å; R300-S304 PolarHBondContact O-N 3.29Å; S304-N306 PolarHBondContact OG-O 3.42Å; S304-K307 PolarHBondContact O-NZ 3.49Å | ||
| 305 | P | 88.4 | Confident | 90.3 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -63.7 | -43.9 | 175.3 | 24 | -32.7 | 0 | 0 | 0 | 112.3 | I175 | I175-P305 HydrophobicContact CB-CG 4.03Å; I175-P305 HydrophobicContact CD1-CB 4.07Å; I175-P305 HydrophobicContact CD1-CG 3.91Å; I175-P305 HydrophobicContact CG2-CB 3.73Å; I175-P305 HydrophobicContact CG2-CG 3.68Å |
| 306 | N | 90 | Very high | 90 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | trans | -126.1 | 106.1 | -176.4 | -82.5 | -4.9 | 0 | 0 | 0 | 111.7 | I175 S304 L308 E309 F310 | I175-N306 HydrophobicContact CD1-CB 3.77Å; I175-N306 WeakPolarHBondContact CD1-ND2 3.24Å; S304-N306 PolarHBondContact OG-O 3.42Å; N306-L308 PolarHBondContact O-N 3.28Å; N306-E309 HydrophobicContact CB-CB 3.83Å; N306-E309 PolarHBondContact ND2-OE2 2.9Å; N306-E309 PolarHBondContact O-N 3.21Å; N306-F310 WeakPolarHBondContact O-CB 3.33Å; N306-F310 PolarHBondContact O-N 2.93Å | ||
| 307 | K | 90.5 | Very high | 89.8 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -36.2 | -176.2 | -49.5 | -50.6 | -174.9 | -159.1 | 0 | 113.6 | I301 V302 S304 F310 I311 | I301-K307 WeakPolarHBondContact O-CD 3.39Å; I301-K307 WeakPolarHBondContact O-CE 3.29Å; I301-K307 PolarHBondContact O-NZ 2.88Å; V302-K307 VanDerWaalsContact C-NZ 3.26Å; V302-K307 PolarHBondContact O-NZ 2.95Å; S304-K307 PolarHBondContact O-NZ 3.49Å; K307-F310 WeakPolarHBondContact O-CB 3.49Å; K307-F310 PolarHBondContact O-N 3.32Å; K307-I311 VanDerWaalsContact O-CG1 3.3Å; K307-I311 WeakPolarHBondContact O-CG1 3.49Å; K307-I311 PolarHBondContact O-N 3.5Å |
| 308 | L | 90.5 | Very high | 89.6 | Confident | 135 Ų | 135 | 60.5 Ų | 60.5 | 71% | 0.707 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.2 | -38.5 | 179 | -71 | 174.3 | 0 | 0 | 0 | 112 | N306 K312 | N306-L308 PolarHBondContact O-N 3.28Å; L308-K312 VanDerWaalsContact O-CG 3.31Å; L308-K312 WeakPolarHBondContact O-CG 3.34Å; L308-K312 PolarHBondContact O-N 3.03Å; L308-K312 VanDerWaalsContact O-N 3.14Å |
| 309 | E | 87.6 | Confident | 89.3 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 175 | -173.4 | 171.8 | -175 | 0 | 0 | 110.7 | I175 N306 I311 K312 N313 | I175-E309 WeakPolarHBondContact CD1-OE2 3.16Å; N306-E309 HydrophobicContact CB-CB 3.83Å; N306-E309 PolarHBondContact ND2-OE2 2.9Å; N306-E309 PolarHBondContact O-N 3.21Å; E309-I311 PolarHBondContact O-N 2.86Å; E309-K312 PolarHBondContact O-N 3.06Å; E309-N313 PolarHBondContact O-N 3.44Å; E309-N313 VanDerWaalsContact O-N 3.11Å |
| 310 | F | 89.5 | Confident | 89.2 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.8 | -51 | 172.3 | -175.7 | -92.5 | 0 | 0 | 0 | 111.9 | W216 F297 R300 I301 N306 K307 K312 N313 N316 | W216-F310 AromaticContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CE2 4.02Å; W216-F310 AromaticContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CE2 4.01Å; F297-F310 HydrophobicContact CD2-CE1 4.37Å; F297-F310 HydrophobicContact CD2-CZ 4.33Å; F297-F310 AromaticContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CZ 4.15Å; F297-F310 HydrophobicContact CZ-CE1 4.23Å; R300-F310 HydrophobicContact CB-CE2 3.68Å; R300-F310 HydrophobicContact CB-CZ 3.78Å; I301-F310 HydrophobicContact CB-CD1 4.22Å; I301-F310 HydrophobicContact CB-CE1 3.81Å; I301-F310 HydrophobicContact CB-CZ 4.3Å; I301-F310 HydrophobicContact CD1-CD1 4.47Å; I301-F310 HydrophobicContact CD1-CE1 4.44Å; I301-F310 HydrophobicContact CG1-CD1 3.97Å; I301-F310 HydrophobicContact CG1-CE1 4.02Å; N306-F310 WeakPolarHBondContact O-CB 3.33Å; N306-F310 PolarHBondContact O-N 2.93Å; K307-F310 WeakPolarHBondContact O-CB 3.49Å; K307-F310 PolarHBondContact O-N 3.32Å; F310-K312 VanDerWaalsContact C-N 3.29Å; F310-K312 PolarHBondContact O-N 3.47Å; F310-N313 PolarHBondContact O-N 2.89Å; F310-N316 HydrophobicContact CD1-CB 4.22Å; F310-N316 HydrophobicContact CD2-CB 4.45Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.41Å; F310-N316 HydrophobicContact CE1-CB 3.9Å; F310-N316 HydrophobicContact CE2-CB 4.13Å; F310-N316 VanDerWaalsContact CE2-ND2 3.26Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.49Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.02Å; F310-N316 HydrophobicContact CG-CB 4.48Å; F310-N316 WeakPolarHBondContact CG-ND2 3.25Å; F310-N316 HydrophobicContact CZ-CB 3.85Å; F310-N316 VanDerWaalsContact CZ-CG 3.46Å; F310-N316 WeakPolarHBondContact CZ-OD1 3.5Å; F310-N316 WeakPolarHBondContact O-CB 3.48Å; F310-N316 PolarHBondContact O-ND2 3.32Å |
| 311 | I | 90.4 | Very high | 89.1 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.2 | -29.3 | -178.2 | -66.9 | 165.4 | 0 | 0 | 0 | 112.1 | K307 E309 I317 | K307-I311 VanDerWaalsContact O-CG1 3.3Å; K307-I311 WeakPolarHBondContact O-CG1 3.49Å; K307-I311 PolarHBondContact O-N 3.5Å; E309-I311 PolarHBondContact O-N 2.86Å; I311-I317 VanDerWaalsContact O-CG1 3.29Å; I311-I317 WeakPolarHBondContact O-CG1 3.2Å |
| 312 | K | 88.8 | Confident | 88.9 | Confident | 175 Ų | 175 | 59.7 Ų | 59.7 | 76% | 0.761 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -79.4 | -18.6 | 177.9 | -74.8 | 177.7 | 177.8 | -176.9 | 0 | 113.9 | L308 E309 F310 L314 | L308-K312 VanDerWaalsContact O-CG 3.31Å; L308-K312 WeakPolarHBondContact O-CG 3.34Å; L308-K312 PolarHBondContact O-N 3.03Å; L308-K312 VanDerWaalsContact O-N 3.14Å; E309-K312 PolarHBondContact O-N 3.06Å; F310-K312 VanDerWaalsContact C-N 3.29Å; F310-K312 PolarHBondContact O-N 3.47Å; K312-L314 PolarHBondContact O-N 3.43Å |
| 313 | N | 84.4 | Confident | 88.7 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -73.5 | 124.7 | -178.4 | -176.7 | -18.7 | 0 | 0 | 0 | 110.8 | E309 F310 L315 N316 I317 | E309-N313 PolarHBondContact O-N 3.44Å; E309-N313 VanDerWaalsContact O-N 3.11Å; F310-N313 PolarHBondContact O-N 2.89Å; N313-L315 PolarHBondContact O-N 3.26Å; N313-L315 PolarHBondContact OD1-N 3.46Å; N313-L315 VanDerWaalsContact OD1-N 3.12Å; N313-N316 HydrophobicContact CB-CB 4.47Å; N313-N316 WeakPolarHBondContact CB-ND2 3.34Å; N313-N316 PolarHBondContact O-N 2.94Å; N313-I317 PolarHBondContact O-N 3.31Å; N313-I317 VanDerWaalsContact O-N 3.09Å |
| 314 | L | 84.7 | Confident | 88.6 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -52.8 | -39.7 | -177.5 | -177.6 | 65.2 | 0 | 0 | 0 | 112.8 | K312 N316 I317 I318 | K312-L314 PolarHBondContact O-N 3.43Å; L314-N316 VanDerWaalsContact C-N 3.32Å; L314-N316 PolarHBondContact O-N 2.96Å; L314-I317 PolarHBondContact O-N 2.82Å; L314-I318 HydrophobicContact CG-CD1 4.2Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 PolarHBondContact O-N 3.31Å |
| 315 | L | 83.3 | Confident | 88.5 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | -179.9 | -60.8 | -177 | 0 | 0 | 0 | 111.8 | N313 D319 T362 R363 | N313-L315 PolarHBondContact O-N 3.26Å; N313-L315 PolarHBondContact OD1-N 3.46Å; N313-L315 VanDerWaalsContact OD1-N 3.12Å; L315-D319 PolarHBondContact O-N 2.87Å; L315-D319 VanDerWaalsContact O-N 3.13Å; L315-D319 VanDerWaalsContact O-OD1 3.06Å; L315-T362 WeakPolarHBondContact CD2-OG1 3.48Å; L315-R363 HydrophobicContact CD1-CG 4.21Å; L315-R363 PolarHBondContact O-NH2 3.5Å |
| 316 | N | 88.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.3 | -32.4 | 178.3 | -63.1 | -34 | 0 | 0 | 0 | 111.9 | F310 N313 L314 D319 F320 R363 | F310-N316 HydrophobicContact CD1-CB 4.22Å; F310-N316 HydrophobicContact CD2-CB 4.45Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.41Å; F310-N316 HydrophobicContact CE1-CB 3.9Å; F310-N316 HydrophobicContact CE2-CB 4.13Å; F310-N316 VanDerWaalsContact CE2-ND2 3.26Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.49Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.02Å; F310-N316 HydrophobicContact CG-CB 4.48Å; F310-N316 WeakPolarHBondContact CG-ND2 3.25Å; F310-N316 HydrophobicContact CZ-CB 3.85Å; F310-N316 VanDerWaalsContact CZ-CG 3.46Å; F310-N316 WeakPolarHBondContact CZ-OD1 3.5Å; F310-N316 WeakPolarHBondContact O-CB 3.48Å; F310-N316 PolarHBondContact O-ND2 3.32Å; N313-N316 HydrophobicContact CB-CB 4.47Å; N313-N316 WeakPolarHBondContact CB-ND2 3.34Å; N313-N316 PolarHBondContact O-N 2.94Å; L314-N316 VanDerWaalsContact C-N 3.32Å; L314-N316 PolarHBondContact O-N 2.96Å; N316-D319 WeakPolarHBondContact O-CB 3.27Å; N316-D319 PolarHBondContact O-N 3.48Å; N316-F320 PolarHBondContact O-N 2.91Å; N316-F320 VanDerWaalsContact O-N 3.14Å; N316-R363 VanDerWaalsContact OD1-CZ 3.29Å; N316-R363 PolarHBondContact OD1-NH1 3.49Å; N316-R363 PolarHBondContact OD1-NH2 3.19Å |
| 317 | I | 89.1 | Confident | 88.5 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 172.6 | -63.9 | 171 | 0 | 0 | 0 | 109.9 | I311 N313 L314 D319 F320 V321 | I311-I317 VanDerWaalsContact O-CG1 3.29Å; I311-I317 WeakPolarHBondContact O-CG1 3.2Å; N313-I317 PolarHBondContact O-N 3.31Å; N313-I317 VanDerWaalsContact O-N 3.09Å; L314-I317 PolarHBondContact O-N 2.82Å; I317-D319 VanDerWaalsContact C-N 3.29Å; I317-D319 PolarHBondContact O-N 3.5Å; I317-F320 PolarHBondContact O-N 3.17Å; I317-V321 HydrophobicContact CG2-CG2 4.16Å; I317-V321 WeakPolarHBondContact O-CB 3.15Å; I317-V321 WeakPolarHBondContact O-CG2 3.32Å; I317-V321 PolarHBondContact O-N 3.34Å |
| 318 | I | 88.1 | Confident | 88.4 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.5 | -69.8 | 168 | 0 | 0 | 0 | 110.7 | L314 F320 V321 A322 L356 F359 | L314-I318 HydrophobicContact CG-CD1 4.2Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 PolarHBondContact O-N 3.31Å; I318-F320 VanDerWaalsContact C-N 3.3Å; I318-F320 PolarHBondContact O-N 3.49Å; I318-V321 PolarHBondContact O-N 3.25Å; I318-A322 VanDerWaalsContact O-CB 3.29Å; I318-A322 WeakPolarHBondContact O-CB 3.31Å; I318-A322 PolarHBondContact O-N 3.37Å; I318-L356 HydrophobicContact CG2-CB 4.31Å; I318-L356 WeakPolarHBondContact CG2-O 3.43Å; I318-F359 HydrophobicContact CD1-CB 3.95Å; I318-F359 HydrophobicContact CD1-CG 4.41Å; I318-F359 HydrophobicContact CG2-CB 4.04Å |
| 319 | D | 89 | Confident | 88.1 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 177.6 | -75.5 | 17.2 | 0 | 0 | 0 | 112.8 | F297 R300 L315 N316 I317 K360 R363 | F297-D319 HydrophobicContact CD2-CB 3.89Å; F297-D319 HydrophobicContact CE2-CB 4.49Å; R300-D319 IonicContact NH1-OD2 3.27Å; R300-D319 PolarHBondContact NH1-OD2 2.92Å; L315-D319 PolarHBondContact O-N 2.87Å; L315-D319 VanDerWaalsContact O-N 3.13Å; L315-D319 VanDerWaalsContact O-OD1 3.06Å; N316-D319 WeakPolarHBondContact O-CB 3.27Å; N316-D319 PolarHBondContact O-N 3.48Å; I317-D319 VanDerWaalsContact C-N 3.29Å; I317-D319 PolarHBondContact O-N 3.5Å; D319-K360 WeakPolarHBondContact OD1-CE 3.15Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.38Å; D319-R363 VanDerWaalsContact CG-NH2 3.28Å; D319-R363 IonicContact OD1-NE 3.63Å; D319-R363 IonicContact OD1-NH2 3.94Å; D319-R363 PolarHBondContact OD1-NH2 3.25Å; D319-R363 IonicContact OD2-CZ 3.58Å; D319-R363 IonicContact OD2-NE 3.87Å; D319-R363 IonicContact OD2-NH2 3.73Å; D319-R363 PolarHBondContact OD2-NH2 3.45Å |
| 320 | F | 91.2 | Very high | 88 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.2 | -48.6 | 178.1 | 176.1 | -104.3 | 0 | 0 | 0 | 112.2 | F297 N316 I317 I318 A322 I323 L324 | F297-F320 HydrophobicContact CE1-CD2 4.01Å; F297-F320 HydrophobicContact CE2-CB 3.89Å; F297-F320 HydrophobicContact CZ-CB 3.89Å; F297-F320 AromaticContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CG 4.31Å; N316-F320 PolarHBondContact O-N 2.91Å; N316-F320 VanDerWaalsContact O-N 3.14Å; I317-F320 PolarHBondContact O-N 3.17Å; I318-F320 VanDerWaalsContact C-N 3.3Å; I318-F320 PolarHBondContact O-N 3.49Å; F320-A322 PolarHBondContact O-N 2.92Å; F320-I323 WeakPolarHBondContact O-CG1 3.47Å; F320-I323 PolarHBondContact O-N 3.2Å; F320-L324 HydrophobicContact CE1-CD2 4.31Å; F320-L324 HydrophobicContact CZ-CD1 4.28Å; F320-L324 PolarHBondContact O-N 3.18Å |
| 321 | V | 89.9 | Confident | 87.9 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -30.6 | -180 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I317 I318 I323 P325 V353 L356 | I317-V321 HydrophobicContact CG2-CG2 4.16Å; I317-V321 WeakPolarHBondContact O-CB 3.15Å; I317-V321 WeakPolarHBondContact O-CG2 3.32Å; I317-V321 PolarHBondContact O-N 3.34Å; I318-V321 PolarHBondContact O-N 3.25Å; V321-I323 PolarHBondContact O-N 3.21Å; V321-P325 WeakPolarHBondContact O-CD 3.48Å; V321-V353 HydrophobicContact CG1-CG1 3.3Å; V321-L356 HydrophobicContact CG1-CD1 3.9Å |
| 322 | A | 88.2 | Confident | 87.7 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69 | -28.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I318 F320 R357 | I318-A322 VanDerWaalsContact O-CB 3.29Å; I318-A322 WeakPolarHBondContact O-CB 3.31Å; I318-A322 PolarHBondContact O-N 3.37Å; F320-A322 PolarHBondContact O-N 2.92Å; A322-R357 HydrophobicContact CB-CB 4.11Å |
| 323 | I | 90.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -92.9 | -23.9 | 179.4 | 60.3 | 170.5 | 0 | 0 | 0 | 112.9 | V290 F293 T294 F297 F320 V321 F326 Y327 | V290-I323 HydrophobicContact CG1-CB 4.22Å; V290-I323 HydrophobicContact CG1-CG2 4.31Å; F293-I323 HydrophobicContact CB-CG2 3.6Å; T294-I323 HydrophobicContact CG2-CD1 4.4Å; F297-I323 HydrophobicContact CD1-CD1 4.32Å; F320-I323 WeakPolarHBondContact O-CG1 3.47Å; F320-I323 PolarHBondContact O-N 3.2Å; V321-I323 PolarHBondContact O-N 3.21Å; I323-F326 PolarHBondContact O-N 3.14Å; I323-Y327 HydrophobicContact CB-CD2 4.44Å; I323-Y327 HydrophobicContact CB-CE2 4.33Å; I323-Y327 HydrophobicContact CD1-CE2 4.47Å; I323-Y327 WeakPolarHBondContact O-CD2 3.29Å |
| 324 | L | 89.4 | Confident | 86.9 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | -172.1 | -179.4 | 68.2 | 0 | 0 | 0 | 114.1 | F320 F326 Y327 L328 | F320-L324 HydrophobicContact CE1-CD2 4.31Å; F320-L324 HydrophobicContact CZ-CD1 4.28Å; F320-L324 PolarHBondContact O-N 3.18Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.05Å; L324-Y327 PolarHBondContact O-N 3.26Å; L324-L328 HydrophobicContact CD1-CD1 3.97Å; L324-L328 HydrophobicContact CD1-CD2 4.24Å; L324-L328 HydrophobicContact CD1-CG 3.86Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.72Å; L324-L328 HydrophobicContact CG-CG 4.04Å; L324-L328 WeakPolarHBondContact O-CG 3.29Å; L324-L328 PolarHBondContact O-N 3.24Å |
| 325 | P | 86.1 | Confident | 86.8 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.9 | -37.7 | -176.9 | -26.7 | 35.3 | 0 | 0 | 0 | 113.7 | V321 E329 V350 | V321-P325 WeakPolarHBondContact O-CD 3.48Å; P325-E329 VanDerWaalsContact O-CB 3.3Å; P325-E329 WeakPolarHBondContact O-CB 3.45Å; P325-E329 PolarHBondContact O-N 3.45Å; P325-V350 HydrophobicContact CG-CG1 4.36Å |
| 326 | F | 88.6 | Confident | 86.4 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 179.7 | -178.6 | -89.8 | 0 | 0 | 0 | 111.5 | E286 V290 I323 L324 L328 E329 V330 | E286-F326 HydrophobicContact CG-CD2 4.09Å; E286-F326 HydrophobicContact CG-CE2 4.46Å; V290-F326 HydrophobicContact CB-CB 4.45Å; V290-F326 HydrophobicContact CB-CD1 4.12Å; V290-F326 HydrophobicContact CB-CG 4.2Å; V290-F326 HydrophobicContact CG1-CB 4.1Å; V290-F326 HydrophobicContact CG1-CD1 3.75Å; V290-F326 HydrophobicContact CG1-CG 4.08Å; V290-F326 HydrophobicContact CG2-CB 3.85Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 4.27Å; V290-F326 HydrophobicContact CG2-CG 3.9Å; I323-F326 PolarHBondContact O-N 3.14Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.05Å; F326-L328 PolarHBondContact O-N 3Å; F326-E329 PolarHBondContact O-N 3.32Å; F326-V330 HydrophobicContact CD1-CG2 4.2Å; F326-V330 HydrophobicContact CE1-CG2 3.8Å; F326-V330 HydrophobicContact CE2-CG2 4.45Å; F326-V330 HydrophobicContact CZ-CG2 3.93Å; F326-V330 WeakPolarHBondContact O-CG2 3.49Å; F326-V330 PolarHBondContact O-N 3.44Å |
| 327 | Y | 90.5 | Very high | 86.1 | Confident | 102 Ų | 102 | 54.9 Ų | 54.9 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 177.8 | -74.9 | -68.4 | 0 | 0 | 0 | 113 | V290 T294 I323 L324 G331 | V290-Y327 HydrophobicContact CG1-CD2 4.26Å; V290-Y327 HydrophobicContact CG1-CE2 3.66Å; T294-Y327 HydrophobicContact CG2-CE2 4.23Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.24Å; T294-Y327 VanDerWaalsContact OG1-CE2 3.28Å; T294-Y327 WeakPolarHBondContact OG1-CE2 2.96Å; T294-Y327 PolarHBondContact OG1-OH 2.71Å; T294-Y327 VanDerWaalsContact OG1-OH 3.08Å; I323-Y327 HydrophobicContact CB-CD2 4.44Å; I323-Y327 HydrophobicContact CB-CE2 4.33Å; I323-Y327 HydrophobicContact CD1-CE2 4.47Å; I323-Y327 WeakPolarHBondContact O-CD2 3.29Å; L324-Y327 PolarHBondContact O-N 3.26Å; Y327-G331 PolarHBondContact O-N 3.41Å |
| 328 | L | 87.6 | Confident | 85.8 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.366 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 174.4 | -68.6 | 179.5 | 0 | 0 | 0 | 111.4 | L324 F326 L332 L347 | L324-L328 HydrophobicContact CD1-CD1 3.97Å; L324-L328 HydrophobicContact CD1-CD2 4.24Å; L324-L328 HydrophobicContact CD1-CG 3.86Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.72Å; L324-L328 HydrophobicContact CG-CG 4.04Å; L324-L328 WeakPolarHBondContact O-CG 3.29Å; L324-L328 PolarHBondContact O-N 3.24Å; F326-L328 PolarHBondContact O-N 3Å; L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.05Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.85Å; L328-L347 HydrophobicContact CB-CD1 3.61Å; L328-L347 HydrophobicContact CB-CD2 4.04Å; L328-L347 HydrophobicContact CD1-CD2 3.82Å |
| 329 | E | 84.1 | Confident | 85.6 | Confident | 50 Ų | 50 | 60.3 Ų | 60.3 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 177.3 | -176.4 | 169 | -170.9 | 0 | 0 | 111.6 | P325 F326 S333 L344 R351 R354 | P325-E329 VanDerWaalsContact O-CB 3.3Å; P325-E329 WeakPolarHBondContact O-CB 3.45Å; P325-E329 PolarHBondContact O-N 3.45Å; F326-E329 PolarHBondContact O-N 3.32Å; E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 3Å; E329-L344 HydrophobicContact CG-CD2 4.31Å; E329-R351 IonicContact OE1-CZ 3.82Å; E329-R351 IonicContact OE1-NE 3.36Å; E329-R351 IonicContact OE1-NH2 3.53Å; E329-R351 PolarHBondContact OE1-NH2 2.93Å; E329-R351 IonicContact OE2-NE 3.24Å; E329-R351 IonicContact OE2-NH2 2.68Å; E329-R354 IonicContact OE2-NH2 3.09Å; E329-R354 PolarHBondContact OE2-NH2 3.47Å |
| 330 | V | 87 | Confident | 85.2 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | F326 L332 S333 | F326-V330 HydrophobicContact CD1-CG2 4.2Å; F326-V330 HydrophobicContact CE1-CG2 3.8Å; F326-V330 HydrophobicContact CE2-CG2 4.45Å; F326-V330 HydrophobicContact CZ-CG2 3.93Å; F326-V330 WeakPolarHBondContact O-CG2 3.49Å; F326-V330 PolarHBondContact O-N 3.44Å; V330-L332 PolarHBondContact O-N 3.14Å; V330-S333 PolarHBondContact O-N 3.31Å; V330-S333 PolarHBondContact O-OG 3.19Å |
| 331 | G | 86.6 | Confident | 84.8 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y327 L335 | Y327-G331 PolarHBondContact O-N 3.41Å; G331-L335 WeakPolarHBondContact O-CD1 3.35Å |
| 332 | L | 85.5 | Confident | 84.5 | Confident | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -83 | -24.1 | 179.4 | -67.1 | 174.2 | 0 | 0 | 0 | 113.5 | L328 V330 G334 L335 V343 L344 L347 | L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.05Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.85Å; V330-L332 PolarHBondContact O-N 3.14Å; L332-G334 PolarHBondContact O-N 2.95Å; L332-G334 VanDerWaalsContact O-N 3.11Å; L332-L335 HydrophobicContact CD2-CD1 4.03Å; L332-L335 PolarHBondContact O-N 3.15Å; L332-V343 HydrophobicContact CD1-CB 4.05Å; L332-V343 HydrophobicContact CD1-CG1 3.36Å; L332-L344 HydrophobicContact CB-CD1 4.45Å; L332-L344 HydrophobicContact CB-CD2 3.74Å; L332-L344 HydrophobicContact CB-CG 3.94Å; L332-L347 HydrophobicContact CD1-CD1 3.61Å |
| 333 | S | 81 | Confident | 84.2 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 58% | 0.58 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.2 | -25.1 | -179.7 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | E329 V330 | E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 3Å; V330-S333 PolarHBondContact O-N 3.31Å; V330-S333 PolarHBondContact O-OG 3.19Å |
| 334 | G | 75.9 | Confident | 83.7 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 74% | 0.742 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | L332 | L332-G334 PolarHBondContact O-N 2.95Å; L332-G334 VanDerWaalsContact O-N 3.11Å |
| 335 | L | 83.4 | Confident | 83.2 | Confident | 94 Ų | 94 | 66.7 Ų | 66.7 | 49% | 0.492 | 41% | 0.405 | S | S | . | . | trans | -92.1 | 116.1 | 179.2 | -70.7 | 115.7 | 0 | 0 | 0 | 110.1 | G331 L332 S337 A340 | G331-L335 WeakPolarHBondContact O-CD1 3.35Å; L332-L335 HydrophobicContact CD2-CD1 4.03Å; L332-L335 PolarHBondContact O-N 3.15Å; L335-S337 PolarHBondContact O-N 3.48Å; L335-A340 HydrophobicContact CB-CB 3.59Å; L335-A340 VanDerWaalsContact O-CB 3.3Å; L335-A340 WeakPolarHBondContact O-CB 3.35Å | ||
| 336 | S | 75.3 | Confident | 83 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 77% | 0.769 | 43% | 0.431 | S | S | * | . | trans | -78.5 | 2.1 | -179.6 | -165.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 337 | S | 82.4 | Confident | 82.5 | Confident | 57 Ų | 57 | 71.9 Ų | 71.9 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -70.1 | 148.1 | -175.1 | 75.2 | 0 | 0 | 0 | 0 | 111.9 | L335 A339 A340 K341 | L335-S337 PolarHBondContact O-N 3.48Å; S337-A339 PolarHBondContact O-N 2.97Å; S337-A340 WeakPolarHBondContact O-CB 3.32Å; S337-A340 PolarHBondContact O-N 3.11Å; S337-A340 WeakPolarHBondContact OG-CB 3.16Å; S337-A340 PolarHBondContact OG-N 3.02Å; S337-A340 VanDerWaalsContact OG-N 3.14Å; S337-K341 PolarHBondContact O-N 3.23Å; S337-K341 VanDerWaalsContact O-N 3.1Å |
| 338 | K | 81.3 | Confident | 81.7 | Confident | 147 Ų | 147 | 72.6 Ų | 72.6 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -55.3 | -39.8 | 175.6 | -179.8 | 54.9 | 178.8 | 148.6 | 0 | 111.8 | A340 K341 D342 | K338-A340 PolarHBondContact O-N 3.28Å; K338-K341 PolarHBondContact O-N 2.6Å; K338-D342 WeakPolarHBondContact CE-OD1 3.26Å; K338-D342 IonicContact NZ-OD1 3.8Å; K338-D342 PolarHBondContact NZ-OD1 3.36Å; K338-D342 IonicContact NZ-OD2 3.77Å; K338-D342 PolarHBondContact O-N 3.04Å |
| 339 | A | 83.6 | Confident | 81.2 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S337 D342 V343 | S337-A339 PolarHBondContact O-N 2.97Å; A339-D342 PolarHBondContact O-N 3.41Å; A339-V343 VanDerWaalsContact O-CG2 3.29Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.11Å |
| 340 | A | 82.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 72.8 Ų | 72.8 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L335 S337 K338 D342 V343 L344 | L335-A340 HydrophobicContact CB-CB 3.59Å; L335-A340 VanDerWaalsContact O-CB 3.3Å; L335-A340 WeakPolarHBondContact O-CB 3.35Å; S337-A340 WeakPolarHBondContact O-CB 3.32Å; S337-A340 PolarHBondContact O-N 3.11Å; S337-A340 WeakPolarHBondContact OG-CB 3.16Å; S337-A340 PolarHBondContact OG-N 3.02Å; S337-A340 VanDerWaalsContact OG-N 3.14Å; K338-A340 PolarHBondContact O-N 3.28Å; A340-D342 PolarHBondContact O-N 3.22Å; A340-V343 PolarHBondContact O-N 2.91Å; A340-L344 WeakPolarHBondContact O-CB 3.45Å; A340-L344 WeakPolarHBondContact O-CG 3.17Å; A340-L344 PolarHBondContact O-N 2.9Å |
| 341 | K | 81.1 | Confident | 80.7 | Confident | 103 Ų | 103 | 70.7 Ų | 70.7 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60 | -43 | 174.1 | -67.6 | -174.5 | 177.8 | -175 | 0 | 112.3 | E262 S337 K338 L344 G345 | E262-K341 IonicContact OE1-NZ 3.16Å; S337-K341 PolarHBondContact O-N 3.23Å; S337-K341 VanDerWaalsContact O-N 3.1Å; K338-K341 PolarHBondContact O-N 2.6Å; K341-L344 PolarHBondContact O-N 3.44Å; K341-G345 PolarHBondContact O-N 3.33Å |
| 342 | D | 83.5 | Confident | 80.5 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 179.8 | -64.4 | -14.7 | 0 | 0 | 0 | 111.5 | K338 A339 A340 G345 F346 | K338-D342 WeakPolarHBondContact CE-OD1 3.26Å; K338-D342 IonicContact NZ-OD1 3.8Å; K338-D342 PolarHBondContact NZ-OD1 3.36Å; K338-D342 IonicContact NZ-OD2 3.77Å; K338-D342 PolarHBondContact O-N 3.04Å; A339-D342 PolarHBondContact O-N 3.41Å; A340-D342 PolarHBondContact O-N 3.22Å; D342-G345 PolarHBondContact O-N 3.49Å; D342-F346 PolarHBondContact O-N 2.84Å |
| 343 | V | 82.6 | Confident | 80.5 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 42% | 0.418 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | L332 A339 A340 G345 F346 L347 | L332-V343 HydrophobicContact CD1-CB 4.05Å; L332-V343 HydrophobicContact CD1-CG1 3.36Å; A339-V343 VanDerWaalsContact O-CG2 3.29Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.11Å; A340-V343 PolarHBondContact O-N 2.91Å; V343-G345 VanDerWaalsContact C-N 3.27Å; V343-G345 PolarHBondContact O-N 3.49Å; V343-F346 PolarHBondContact O-N 3.48Å; V343-F346 VanDerWaalsContact O-N 3.15Å; V343-L347 HydrophobicContact CG1-CD1 4.28Å; V343-L347 HydrophobicContact CG1-CG 4.32Å; V343-L347 WeakPolarHBondContact O-CG 3.47Å; V343-L347 PolarHBondContact O-N 3.06Å |
| 344 | L | 80.8 | Confident | 80.5 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 173.1 | -75.5 | 166.8 | 0 | 0 | 0 | 111.5 | E329 L332 A340 K341 L347 R348 | E329-L344 HydrophobicContact CG-CD2 4.31Å; L332-L344 HydrophobicContact CB-CD1 4.45Å; L332-L344 HydrophobicContact CB-CD2 3.74Å; L332-L344 HydrophobicContact CB-CG 3.94Å; A340-L344 WeakPolarHBondContact O-CB 3.45Å; A340-L344 WeakPolarHBondContact O-CG 3.17Å; A340-L344 PolarHBondContact O-N 2.9Å; K341-L344 PolarHBondContact O-N 3.44Å; L344-L347 PolarHBondContact O-N 2.91Å; L344-R348 PolarHBondContact O-N 3.1Å; L344-R348 VanDerWaalsContact O-N 3.1Å |
| 345 | G | 77.3 | Confident | 80.9 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 38% | 0.381 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K341 D342 V343 R348 | K341-G345 PolarHBondContact O-N 3.33Å; D342-G345 PolarHBondContact O-N 3.49Å; V343-G345 VanDerWaalsContact C-N 3.27Å; V343-G345 PolarHBondContact O-N 3.49Å; G345-R348 VanDerWaalsContact O-CB 3.27Å; G345-R348 WeakPolarHBondContact O-CB 3.35Å; G345-R348 PolarHBondContact O-N 2.99Å |
| 346 | F | 81.7 | Confident | 81 | Confident | 134 Ų | 134 | 68.7 Ų | 68.7 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 174.7 | -178.8 | -102 | 0 | 0 | 0 | 112.5 | D342 V343 R348 V349 V350 | D342-F346 PolarHBondContact O-N 2.84Å; V343-F346 PolarHBondContact O-N 3.48Å; V343-F346 VanDerWaalsContact O-N 3.15Å; F346-R348 PolarHBondContact O-N 2.95Å; F346-V349 WeakPolarHBondContact O-CA 3.3Å; F346-V349 WeakPolarHBondContact O-CB 3.21Å; F346-V349 PolarHBondContact O-N 2.72Å; F346-V350 HydrophobicContact CD1-CG2 3.85Å; F346-V350 HydrophobicContact CE1-CG2 3.46Å; F346-V350 VanDerWaalsContact CE1-CG2 3.46Å; F346-V350 HydrophobicContact CZ-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å |
| 347 | L | 78.9 | Confident | 81.4 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -29.4 | 176.4 | -72.7 | 175.1 | 0 | 0 | 0 | 112.5 | L328 L332 V343 L344 V349 V350 R351 | L328-L347 HydrophobicContact CB-CD1 3.61Å; L328-L347 HydrophobicContact CB-CD2 4.04Å; L328-L347 HydrophobicContact CD1-CD2 3.82Å; L332-L347 HydrophobicContact CD1-CD1 3.61Å; V343-L347 HydrophobicContact CG1-CD1 4.28Å; V343-L347 HydrophobicContact CG1-CG 4.32Å; V343-L347 WeakPolarHBondContact O-CG 3.47Å; V343-L347 PolarHBondContact O-N 3.06Å; L344-L347 PolarHBondContact O-N 2.91Å; L347-V349 VanDerWaalsContact C-N 3.29Å; L347-V349 PolarHBondContact O-N 3.24Å; L347-V350 CarbonylContact O-C 3.54Å; L347-V350 PolarHBondContact O-N 3.39Å; L347-R351 PolarHBondContact O-N 3.34Å |
| 348 | R | 74.5 | Confident | 81.6 | Confident | 116 Ų | 116 | 64.4 Ų | 64.4 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 171.5 | -163.5 | 178.9 | -68.4 | 178.2 | -0.2 | 111.6 | E275 L344 G345 F346 R351 | E275-R348 IonicContact OE1-CZ 3.9Å; E275-R348 IonicContact OE1-NH1 4Å; E275-R348 IonicContact OE1-NH2 3.78Å; E275-R348 PolarHBondContact OE1-NH2 3.44Å; L344-R348 PolarHBondContact O-N 3.1Å; L344-R348 VanDerWaalsContact O-N 3.1Å; G345-R348 VanDerWaalsContact O-CB 3.27Å; G345-R348 WeakPolarHBondContact O-CB 3.35Å; G345-R348 PolarHBondContact O-N 2.99Å; F346-R348 PolarHBondContact O-N 2.95Å; R348-R351 VanDerWaalsContact O-CB 3.29Å; R348-R351 WeakPolarHBondContact O-CB 2.98Å; R348-R351 WeakPolarHBondContact O-CG 3.25Å; R348-R351 PolarHBondContact O-N 3.24Å |
| 349 | V | 76.8 | Confident | 81.7 | Confident | 93 Ų | 93 | 62.2 Ų | 62.2 | 56% | 0.564 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.1 | -42.8 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | F346 L347 R351 F352 | F346-V349 WeakPolarHBondContact O-CA 3.3Å; F346-V349 WeakPolarHBondContact O-CB 3.21Å; F346-V349 PolarHBondContact O-N 2.72Å; L347-V349 VanDerWaalsContact C-N 3.29Å; L347-V349 PolarHBondContact O-N 3.24Å; V349-R351 PolarHBondContact O-N 2.7Å; V349-F352 HydrophobicContact CG1-CE1 4.47Å; V349-F352 WeakPolarHBondContact O-CD1 3.26Å; V349-F352 WeakPolarHBondContact O-CE1 3.36Å; V349-F352 PolarHBondContact O-N 2.99Å |
| 350 | V | 81.8 | Confident | 81.4 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -8.7 | 178 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | P325 F346 L347 F352 V353 | P325-V350 HydrophobicContact CG-CG1 4.36Å; F346-V350 HydrophobicContact CD1-CG2 3.85Å; F346-V350 HydrophobicContact CE1-CG2 3.46Å; F346-V350 VanDerWaalsContact CE1-CG2 3.46Å; F346-V350 HydrophobicContact CZ-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å; L347-V350 CarbonylContact O-C 3.54Å; L347-V350 PolarHBondContact O-N 3.39Å; V350-F352 PolarHBondContact O-N 3.35Å; V350-F352 VanDerWaalsContact O-N 3.1Å; V350-V353 HydrophobicContact CG1-CB 4.04Å; V350-V353 HydrophobicContact CG1-CG2 3.6Å; V350-V353 WeakPolarHBondContact O-CB 3.36Å; V350-V353 WeakPolarHBondContact O-CG2 3.48Å; V350-V353 PolarHBondContact O-N 2.93Å |
| 351 | R | 78 | Confident | 81.2 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -55.7 | -28.6 | 174.2 | -71.9 | -176.4 | -178.3 | -179.9 | 4.6 | 112.8 | E329 L347 R348 V349 V353 R354 | E329-R351 IonicContact OE1-CZ 3.82Å; E329-R351 IonicContact OE1-NE 3.36Å; E329-R351 IonicContact OE1-NH2 3.53Å; E329-R351 PolarHBondContact OE1-NH2 2.93Å; E329-R351 IonicContact OE2-NE 3.24Å; E329-R351 IonicContact OE2-NH2 2.68Å; L347-R351 PolarHBondContact O-N 3.34Å; R348-R351 VanDerWaalsContact O-CB 3.29Å; R348-R351 WeakPolarHBondContact O-CB 2.98Å; R348-R351 WeakPolarHBondContact O-CG 3.25Å; R348-R351 PolarHBondContact O-N 3.24Å; V349-R351 PolarHBondContact O-N 2.7Å; R351-V353 PolarHBondContact O-N 3.49Å; R351-R354 WeakPolarHBondContact O-CB 3.45Å; R351-R354 VanDerWaalsContact O-CG 3.23Å; R351-R354 WeakPolarHBondContact O-CG 3.3Å; R351-R354 PolarHBondContact O-N 3.45Å |
| 352 | F | 82.8 | Confident | 81 | Confident | 126 Ų | 126 | 56.6 Ų | 56.6 | 55% | 0.553 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -62.3 | -23.7 | 174.8 | 78.1 | -102.1 | 0 | 0 | 0 | 112.6 | V349 V350 R354 I355 | V349-F352 HydrophobicContact CG1-CE1 4.47Å; V349-F352 WeakPolarHBondContact O-CD1 3.26Å; V349-F352 WeakPolarHBondContact O-CE1 3.36Å; V349-F352 PolarHBondContact O-N 2.99Å; V350-F352 PolarHBondContact O-N 3.35Å; V350-F352 VanDerWaalsContact O-N 3.1Å; F352-R354 PolarHBondContact O-N 3.23Å; F352-R354 VanDerWaalsContact O-N 3.13Å; F352-I355 WeakPolarHBondContact O-CB 3.17Å; F352-I355 WeakPolarHBondContact O-CG2 3.2Å; F352-I355 PolarHBondContact O-N 3.42Å |
| 353 | V | 84.7 | Confident | 80.6 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -59.8 | -24 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | V321 V350 R351 I355 L356 | V321-V353 HydrophobicContact CG1-CG1 3.3Å; V350-V353 HydrophobicContact CG1-CB 4.04Å; V350-V353 HydrophobicContact CG1-CG2 3.6Å; V350-V353 WeakPolarHBondContact O-CB 3.36Å; V350-V353 WeakPolarHBondContact O-CG2 3.48Å; V350-V353 PolarHBondContact O-N 2.93Å; R351-V353 PolarHBondContact O-N 3.49Å; V353-I355 PolarHBondContact O-N 3.04Å; V353-I355 VanDerWaalsContact O-N 3.12Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.28Å; V353-L356 WeakPolarHBondContact O-CB 3.24Å; V353-L356 VanDerWaalsContact O-CG 3.25Å; V353-L356 WeakPolarHBondContact O-CG 3.28Å; V353-L356 PolarHBondContact O-N 3.26Å |
| 354 | R | 82 | Confident | 80.2 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -54.5 | -27.5 | 169.2 | -71 | 176.5 | -173 | -178.7 | 2.8 | 112.5 | F246 E249 E329 R351 F352 L356 R357 | F246-R354 HydrophobicContact CD2-CB 4.25Å; E249-R354 IonicContact OE1-NH1 2.82Å; E249-R354 PolarHBondContact OE1-NH1 3.34Å; E249-R354 IonicContact OE2-NH1 3.41Å; E249-R354 PolarHBondContact OE2-NH1 3Å; E329-R354 IonicContact OE2-NH2 3.09Å; E329-R354 PolarHBondContact OE2-NH2 3.47Å; R351-R354 WeakPolarHBondContact O-CB 3.45Å; R351-R354 VanDerWaalsContact O-CG 3.23Å; R351-R354 WeakPolarHBondContact O-CG 3.3Å; R351-R354 PolarHBondContact O-N 3.45Å; F352-R354 PolarHBondContact O-N 3.23Å; F352-R354 VanDerWaalsContact O-N 3.13Å; R354-L356 PolarHBondContact O-N 2.88Å; R354-R357 VanDerWaalsContact CB-NH2 3.25Å; R354-R357 WeakPolarHBondContact O-CB 3.36Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 3.44Å; R354-R357 VanDerWaalsContact O-N 3.1Å; R354-R357 PolarHBondContact O-NE 3.14Å |
| 355 | I | 85.1 | Confident | 80.1 | Confident | 88 Ų | 88 | 54 Ų | 54 | 45% | 0.451 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -59 | -27.9 | 174.9 | -154.5 | 169 | 0 | 0 | 0 | 111.9 | F352 V353 R357 I358 | F352-I355 WeakPolarHBondContact O-CB 3.17Å; F352-I355 WeakPolarHBondContact O-CG2 3.2Å; F352-I355 PolarHBondContact O-N 3.42Å; V353-I355 PolarHBondContact O-N 3.04Å; V353-I355 VanDerWaalsContact O-N 3.12Å; I355-R357 PolarHBondContact O-N 2.95Å; I355-I358 VanDerWaalsContact O-CB 3.31Å; I355-I358 WeakPolarHBondContact O-CB 3.27Å; I355-I358 WeakPolarHBondContact O-CG2 3.46Å; I355-I358 PolarHBondContact O-N 3.26Å |
| 356 | L | 85.2 | Confident | 79.7 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -60.7 | -20.3 | 178.5 | -61.1 | -175.8 | 0 | 0 | 0 | 112.7 | I318 V321 V353 R354 I358 F359 | I318-L356 HydrophobicContact CG2-CB 4.31Å; I318-L356 WeakPolarHBondContact CG2-O 3.43Å; V321-L356 HydrophobicContact CG1-CD1 3.9Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.28Å; V353-L356 WeakPolarHBondContact O-CB 3.24Å; V353-L356 VanDerWaalsContact O-CG 3.25Å; V353-L356 WeakPolarHBondContact O-CG 3.28Å; V353-L356 PolarHBondContact O-N 3.26Å; R354-L356 PolarHBondContact O-N 2.88Å; L356-I358 PolarHBondContact O-N 3.08Å; L356-I358 VanDerWaalsContact O-N 3.11Å; L356-F359 HydrophobicContact CB-CD2 4.31Å; L356-F359 HydrophobicContact CD2-CD2 3.9Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.4Å; L356-F359 WeakPolarHBondContact O-CD2 3.29Å; L356-F359 PolarHBondContact O-N 2.69Å |
| 357 | R | 83.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.5 | -22.6 | 172.9 | 83.9 | -174.8 | 82.2 | -149.7 | 36.4 | 112.3 | S242 I243 E286 A322 R354 I355 F359 K360 | S242-R357 VanDerWaalsContact OG-CD 3.28Å; S242-R357 WeakPolarHBondContact OG-CD 3.42Å; S242-R357 PolarHBondContact OG-NE 2.87Å; S242-R357 PolarHBondContact OG-NH1 3.49Å; S242-R357 PolarHBondContact OG-NH2 2.98Å; S242-R357 VanDerWaalsContact OG-NH2 3.08Å; I243-R357 HydrophobicContact CG1-CG 4.15Å; E286-R357 VanDerWaalsContact CD-NH2 3.32Å; E286-R357 IonicContact OE1-CZ 2.88Å; E286-R357 VanDerWaalsContact OE1-CZ 3.24Å; E286-R357 IonicContact OE1-NH1 3.62Å; E286-R357 PolarHBondContact OE1-NH1 3.15Å; E286-R357 IonicContact OE1-NH2 2.67Å; E286-R357 PolarHBondContact OE1-NH2 3.09Å; E286-R357 IonicContact OE2-CZ 2.85Å; E286-R357 IonicContact OE2-NH1 3.56Å; E286-R357 IonicContact OE2-NH2 3.25Å; E286-R357 PolarHBondContact OE2-NH2 2.94Å; A322-R357 HydrophobicContact CB-CB 4.11Å; R354-R357 VanDerWaalsContact CB-NH2 3.25Å; R354-R357 WeakPolarHBondContact O-CB 3.36Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 3.44Å; R354-R357 VanDerWaalsContact O-N 3.1Å; R354-R357 PolarHBondContact O-NE 3.14Å; I355-R357 PolarHBondContact O-N 2.95Å; R357-F359 PolarHBondContact O-N 3.38Å; R357-K360 VanDerWaalsContact O-CB 3.23Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 PolarHBondContact O-N 3.32Å |
| 358 | I | 85.6 | Confident | 79.2 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -59.5 | -31.8 | 172.5 | -159.2 | 169.9 | 0 | 0 | 0 | 112 | I243 I355 L356 K360 L361 | I243-I358 HydrophobicContact CD1-CB 4.17Å; I243-I358 HydrophobicContact CD1-CD1 4.47Å; I243-I358 HydrophobicContact CD1-CG1 4.05Å; I355-I358 VanDerWaalsContact O-CB 3.31Å; I355-I358 WeakPolarHBondContact O-CB 3.27Å; I355-I358 WeakPolarHBondContact O-CG2 3.46Å; I355-I358 PolarHBondContact O-N 3.26Å; L356-I358 PolarHBondContact O-N 3.08Å; L356-I358 VanDerWaalsContact O-N 3.11Å; I358-K360 PolarHBondContact O-N 3.31Å; I358-L361 HydrophobicContact CG1-CD1 3.89Å; I358-L361 WeakPolarHBondContact O-CB 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.33Å; I358-L361 PolarHBondContact O-N 3.12Å; I358-L361 VanDerWaalsContact O-N 3.13Å |
| 359 | F | 83.2 | Confident | 79.3 | Confident | 102 Ų | 102 | 50.2 Ų | 50.2 | 45% | 0.447 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -71.7 | -13.7 | 177.6 | -64.5 | -67.6 | 0 | 0 | 0 | 112.5 | I318 L356 R357 L361 T362 | I318-F359 HydrophobicContact CD1-CB 3.95Å; I318-F359 HydrophobicContact CD1-CG 4.41Å; I318-F359 HydrophobicContact CG2-CB 4.04Å; L356-F359 HydrophobicContact CB-CD2 4.31Å; L356-F359 HydrophobicContact CD2-CD2 3.9Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.4Å; L356-F359 WeakPolarHBondContact O-CD2 3.29Å; L356-F359 PolarHBondContact O-N 2.69Å; R357-F359 PolarHBondContact O-N 3.38Å; F359-L361 PolarHBondContact O-N 2.82Å; F359-T362 VanDerWaalsContact O-CB 3.26Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.44Å; F359-T362 PolarHBondContact O-N 3.24Å; F359-T362 PolarHBondContact O-OG1 3.31Å |
| 360 | K | 78.3 | Confident | 79.2 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.4 | -27.3 | 168 | -74.1 | -176 | 152.1 | 153 | 0 | 112.6 | I239 F293 D319 R357 I358 T362 R363 | I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CD1-CD 4.49Å; I239-K360 HydrophobicContact CG1-CB 4.29Å; F293-K360 HydrophobicContact CD1-CD 4.46Å; D319-K360 WeakPolarHBondContact OD1-CE 3.15Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.38Å; R357-K360 VanDerWaalsContact O-CB 3.23Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 PolarHBondContact O-N 3.32Å; I358-K360 PolarHBondContact O-N 3.31Å; K360-T362 PolarHBondContact O-N 2.95Å; K360-T362 VanDerWaalsContact O-N 3.11Å; K360-R363 PolarHBondContact O-N 3.46Å; K360-R363 VanDerWaalsContact O-N 3.11Å |
| 361 | L | 78 | Confident | 79.2 | Confident | 26 Ų | 26 | 47.4 Ų | 47.4 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.8 | -26.5 | 174.2 | -62 | 178.4 | 0 | 0 | 0 | 112.6 | L236 I239 I358 F359 R363 H364 F365 L368 | L236-L361 HydrophobicContact CD1-CD2 3.22Å; I239-L361 HydrophobicContact CB-CD2 4.48Å; I239-L361 HydrophobicContact CD1-CD2 4.04Å; I239-L361 HydrophobicContact CG2-CD2 3.96Å; I239-L361 HydrophobicContact CG2-CG 4.2Å; I358-L361 HydrophobicContact CG1-CD1 3.89Å; I358-L361 WeakPolarHBondContact O-CB 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.33Å; I358-L361 PolarHBondContact O-N 3.12Å; I358-L361 VanDerWaalsContact O-N 3.13Å; F359-L361 PolarHBondContact O-N 2.82Å; L361-R363 PolarHBondContact O-N 2.97Å; L361-H364 PolarHBondContact O-N 3.41Å; L361-F365 HydrophobicContact CB-CD2 4.12Å; L361-F365 HydrophobicContact CD2-CE2 4.26Å; L361-F365 WeakPolarHBondContact O-CD2 3.26Å; L361-F365 PolarHBondContact O-N 2.92Å; L361-L368 HydrophobicContact CB-CD1 4.03Å |
| 362 | T | 77.6 | Confident | 79.3 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -31.3 | 177.4 | 63 | 0 | 0 | 0 | 0 | 112.9 | L315 F359 K360 H364 L368 R369 | L315-T362 WeakPolarHBondContact CD2-OG1 3.48Å; F359-T362 VanDerWaalsContact O-CB 3.26Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.44Å; F359-T362 PolarHBondContact O-N 3.24Å; F359-T362 PolarHBondContact O-OG1 3.31Å; K360-T362 PolarHBondContact O-N 2.95Å; K360-T362 VanDerWaalsContact O-N 3.11Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 3.5Å; T362-L368 HydrophobicContact CG2-CB 4.09Å; T362-L368 HydrophobicContact CG2-CD1 4.33Å; T362-R369 VanDerWaalsContact O-CG 3.24Å; T362-R369 WeakPolarHBondContact O-CG 3.17Å |
| 363 | R | 74.2 | Confident | 79 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 6% | 0.06 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.5 | -34.2 | 176.8 | -63.7 | -172.3 | -166.3 | -113.5 | 1.3 | 112.5 | E220 L315 N316 D319 K360 L361 | E220-R363 IonicContact OE1-NH1 3.27Å; E220-R363 PolarHBondContact OE1-NH1 3.37Å; E220-R363 VanDerWaalsContact OE1-NH1 3.16Å; E220-R363 IonicContact OE2-NH1 3.05Å; E220-R363 PolarHBondContact OE2-NH1 3.19Å; E220-R363 VanDerWaalsContact OE2-NH1 3.09Å; L315-R363 HydrophobicContact CD1-CG 4.21Å; L315-R363 PolarHBondContact O-NH2 3.5Å; N316-R363 VanDerWaalsContact OD1-CZ 3.29Å; N316-R363 PolarHBondContact OD1-NH1 3.49Å; N316-R363 PolarHBondContact OD1-NH2 3.19Å; D319-R363 VanDerWaalsContact CG-NH2 3.28Å; D319-R363 IonicContact OD1-NE 3.63Å; D319-R363 IonicContact OD1-NH2 3.94Å; D319-R363 PolarHBondContact OD1-NH2 3.25Å; D319-R363 IonicContact OD2-CZ 3.58Å; D319-R363 IonicContact OD2-NE 3.87Å; D319-R363 IonicContact OD2-NH2 3.73Å; D319-R363 PolarHBondContact OD2-NH2 3.45Å; K360-R363 PolarHBondContact O-N 3.46Å; K360-R363 VanDerWaalsContact O-N 3.11Å; L361-R363 PolarHBondContact O-N 2.97Å |
| 364 | H | 74.8 | Confident | 78.8 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -91.2 | -31.6 | -174 | -56.1 | -53.8 | 0 | 0 | 0 | 112.4 | A232 L361 T362 | A232-H364 WeakPolarHBondContact CB-ND1 3.34Å; L361-H364 PolarHBondContact O-N 3.41Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 3.5Å |
| 365 | F | 78.4 | Confident | 78.8 | Confident | 103 Ų | 103 | 45.6 Ų | 45.6 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | trans | -103.4 | 99.7 | 179.1 | -68.9 | -78.3 | 0 | 0 | 0 | 110.7 | L236 L361 G367 L368 R369 | L236-F365 HydrophobicContact CD1-CE2 4.18Å; L236-F365 HydrophobicContact CD2-CZ 4.38Å; L361-F365 HydrophobicContact CB-CD2 4.12Å; L361-F365 HydrophobicContact CD2-CE2 4.26Å; L361-F365 WeakPolarHBondContact O-CD2 3.26Å; L361-F365 PolarHBondContact O-N 2.92Å; F365-G367 PolarHBondContact O-N 2.67Å; F365-G367 VanDerWaalsContact O-N 3.1Å; F365-L368 HydrophobicContact CB-CB 4.41Å; F365-L368 HydrophobicContact CB-CD1 4.11Å; F365-L368 HydrophobicContact CB-CG 4.15Å; F365-L368 PolarHBondContact O-N 2.85Å; F365-R369 PolarHBondContact O-N 3.47Å | ||
| 366 | V | 69.5 | Low | 78.7 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.4 | -34.2 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | Y223 L368 R369 V370 | Y223-V366 HydrophobicContact CE2-CG2 3.87Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 3.29Å; V366-R369 WeakPolarHBondContact O-CB 3.13Å; V366-R369 PolarHBondContact O-N 3.5Å; V366-R369 VanDerWaalsContact O-N 3.08Å; V366-V370 HydrophobicContact CG1-CG2 4.06Å; V366-V370 WeakPolarHBondContact O-CG2 3.23Å; V366-V370 PolarHBondContact O-N 2.86Å |
| 367 | G | 73.1 | Confident | 78.4 | Confident | 37 Ų | 37 | 50 Ų | 50 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.3 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | F365 L371 | F365-G367 PolarHBondContact O-N 2.67Å; F365-G367 VanDerWaalsContact O-N 3.1Å; G367-L371 WeakPolarHBondContact O-CB 3.44Å; G367-L371 PolarHBondContact O-N 3.21Å |
| 368 | L | 76.9 | Confident | 78.5 | Confident | 69 Ų | 69 | 49.9 Ų | 49.9 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -74.7 | -34.4 | 176.1 | -71.7 | 175.7 | 0 | 0 | 0 | 112.4 | L361 T362 F365 V366 L371 G372 | L361-L368 HydrophobicContact CB-CD1 4.03Å; T362-L368 HydrophobicContact CG2-CB 4.09Å; T362-L368 HydrophobicContact CG2-CD1 4.33Å; F365-L368 HydrophobicContact CB-CB 4.41Å; F365-L368 HydrophobicContact CB-CD1 4.11Å; F365-L368 HydrophobicContact CB-CG 4.15Å; F365-L368 PolarHBondContact O-N 2.85Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 3.29Å; L368-L371 HydrophobicContact CD2-CD2 4.26Å; L368-L371 PolarHBondContact O-N 3.49Å; L368-G372 PolarHBondContact O-N 3.39Å |
| 369 | R | 75.7 | Confident | 78.6 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 170.7 | -68.2 | 173 | 57.8 | -175.2 | -0.6 | 110.3 | T362 F365 V366 L371 G372 H373 | T362-R369 VanDerWaalsContact O-CG 3.24Å; T362-R369 WeakPolarHBondContact O-CG 3.17Å; F365-R369 PolarHBondContact O-N 3.47Å; V366-R369 WeakPolarHBondContact O-CB 3.13Å; V366-R369 PolarHBondContact O-N 3.5Å; V366-R369 VanDerWaalsContact O-N 3.08Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 3.28Å; R369-G372 PolarHBondContact O-N 3.45Å; R369-G372 VanDerWaalsContact O-N 3.17Å; R369-H373 PolarHBondContact O-CD2 3.1Å; R369-H373 PolarHBondContact O-N 3.21Å |
| 370 | V | 74.9 | Confident | 78.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | F169 V366 G372 H373 T374 Y480 A483 | F169-V370 HydrophobicContact CE1-CB 4.31Å; F169-V370 HydrophobicContact CE1-CG2 3.94Å; F169-V370 HydrophobicContact CZ-CB 4.47Å; F169-V370 HydrophobicContact CZ-CG1 4.2Å; F169-V370 HydrophobicContact CZ-CG2 4.22Å; V366-V370 HydrophobicContact CG1-CG2 4.06Å; V366-V370 WeakPolarHBondContact O-CG2 3.23Å; V366-V370 PolarHBondContact O-N 2.86Å; V370-G372 VanDerWaalsContact C-N 3.34Å; V370-G372 PolarHBondContact O-N 2.95Å; V370-H373 PolarHBondContact O-N 3.1Å; V370-T374 WeakPolarHBondContact O-CB 3.38Å; V370-T374 PolarHBondContact O-N 3.04Å; V370-T374 PolarHBondContact O-OG1 2.97Å; V370-Y480 HydrophobicContact CG1-CD2 4.38Å; V370-A483 HydrophobicContact CG1-CB 4.39Å; V370-A483 HydrophobicContact CG2-CB 3.55Å |
| 371 | L | 81.4 | Confident | 79.5 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.8 | -48.4 | 174.8 | -178.7 | 63.7 | 0 | 0 | 0 | 111.7 | G367 L368 R369 H373 T374 L375 F476 | G367-L371 WeakPolarHBondContact O-CB 3.44Å; G367-L371 PolarHBondContact O-N 3.21Å; L368-L371 HydrophobicContact CD2-CD2 4.26Å; L368-L371 PolarHBondContact O-N 3.49Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 3.28Å; L371-H373 PolarHBondContact O-N 2.87Å; L371-T374 PolarHBondContact O-N 3.13Å; L371-L375 HydrophobicContact CD1-CD1 4.33Å; L371-L375 HydrophobicContact CD1-CD2 4.45Å; L371-L375 HydrophobicContact CD1-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 HydrophobicContact CG-CG 4.31Å; L371-L375 WeakPolarHBondContact O-CB 3.25Å; L371-L375 VanDerWaalsContact O-CG 3.22Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 3.45Å; L371-F476 HydrophobicContact CB-CE2 4.28Å; L371-F476 HydrophobicContact CD1-CD2 4.04Å; L371-F476 HydrophobicContact CD1-CE2 3.77Å |
| 372 | G | 80.2 | Confident | 80 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L368 R369 V370 L375 R376 | L368-G372 PolarHBondContact O-N 3.39Å; R369-G372 PolarHBondContact O-N 3.45Å; R369-G372 VanDerWaalsContact O-N 3.17Å; V370-G372 VanDerWaalsContact C-N 3.34Å; V370-G372 PolarHBondContact O-N 2.95Å; G372-L375 PolarHBondContact O-N 2.92Å; G372-R376 PolarHBondContact O-N 3.36Å; G372-R376 VanDerWaalsContact O-N 3.09Å |
| 373 | H | 76.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -41.8 | 176.1 | -73.3 | -73.3 | 0 | 0 | 0 | 112.1 | I168 F169 R369 V370 L371 L375 R376 A377 | I168-H373 HydrophobicContact CG2-CB 4.19Å; I168-H373 WeakPolarHBondContact CG2-ND1 3.22Å; I168-H373 PolarHBondContact O-CE1 3.37Å; F169-H373 HydrophobicContact CD1-CB 4.31Å; F169-H373 AromaticContact CD1-CD2 3.59Å; F169-H373 HydrophobicContact CE1-CB 3.6Å; F169-H373 AromaticContact CE1-CD2 3.57Å; F169-H373 AromaticContact CE1-CG 3.78Å; F169-H373 HydrophobicContact CZ-CB 4.07Å; R369-H373 PolarHBondContact O-CD2 3.1Å; R369-H373 PolarHBondContact O-N 3.21Å; V370-H373 PolarHBondContact O-N 3.1Å; L371-H373 PolarHBondContact O-N 2.87Å; H373-L375 PolarHBondContact O-N 3.18Å; H373-R376 PolarHBondContact O-N 2.92Å; H373-A377 PolarHBondContact O-N 2.88Å |
| 374 | T | 80.2 | Confident | 81.5 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | V370 L371 R376 A377 S378 F476 Y479 | V370-T374 WeakPolarHBondContact O-CB 3.38Å; V370-T374 PolarHBondContact O-N 3.04Å; V370-T374 PolarHBondContact O-OG1 2.97Å; L371-T374 PolarHBondContact O-N 3.13Å; T374-R376 VanDerWaalsContact C-N 3.29Å; T374-R376 PolarHBondContact O-N 3.12Å; T374-A377 PolarHBondContact O-N 2.92Å; T374-S378 WeakPolarHBondContact O-CB 3.44Å; T374-S378 PolarHBondContact O-N 3.11Å; T374-S378 PolarHBondContact O-OG 3.13Å; T374-F476 VanDerWaalsContact CG2-CA 3.47Å; T374-F476 HydrophobicContact CG2-CB 3.84Å; T374-F476 HydrophobicContact CG2-CD2 3.96Å; T374-F476 HydrophobicContact CG2-CG 4.38Å; T374-Y479 HydrophobicContact CG2-CD2 4.07Å; T374-Y479 VanDerWaalsContact OG1-CB 3.29Å; T374-Y479 WeakPolarHBondContact OG1-CB 3.47Å |
| 375 | L | 83.6 | Confident | 82.4 | Confident | 74 Ų | 74 | 61 Ų | 61 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 177.3 | -71.5 | 176.7 | 0 | 0 | 0 | 111 | L371 G372 H373 S378 T379 F382 | L371-L375 HydrophobicContact CD1-CD1 4.33Å; L371-L375 HydrophobicContact CD1-CD2 4.45Å; L371-L375 HydrophobicContact CD1-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 HydrophobicContact CG-CG 4.31Å; L371-L375 WeakPolarHBondContact O-CB 3.25Å; L371-L375 VanDerWaalsContact O-CG 3.22Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 3.45Å; G372-L375 PolarHBondContact O-N 2.92Å; H373-L375 PolarHBondContact O-N 3.18Å; L375-S378 CarbonylContact O-C 3.5Å; L375-S378 PolarHBondContact O-N 2.96Å; L375-T379 PolarHBondContact O-N 2.94Å; L375-T379 VanDerWaalsContact O-N 3.15Å; L375-T379 PolarHBondContact O-OG1 3.43Å; L375-F382 HydrophobicContact CD2-CD2 4.27Å; L375-F382 HydrophobicContact CD2-CE1 4.37Å; L375-F382 HydrophobicContact CD2-CE2 3.26Å; L375-F382 HydrophobicContact CD2-CZ 3.31Å |
| 376 | R | 82.3 | Confident | 83.1 | Confident | 196 Ų | 196 | 61.2 Ų | 61.2 | 74% | 0.74 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 174.9 | -174 | 179 | 179.5 | -175.1 | -1.5 | 111.9 | G372 H373 T374 S378 T379 | G372-R376 PolarHBondContact O-N 3.36Å; G372-R376 VanDerWaalsContact O-N 3.09Å; H373-R376 PolarHBondContact O-N 2.92Å; T374-R376 VanDerWaalsContact C-N 3.29Å; T374-R376 PolarHBondContact O-N 3.12Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.29Å; R376-T379 WeakPolarHBondContact CA-OG1 3.02Å; R376-T379 WeakPolarHBondContact O-CB 3.31Å; R376-T379 PolarHBondContact O-N 3.3Å; R376-T379 PolarHBondContact O-OG1 3.3Å |
| 377 | A | 78.9 | Confident | 84.3 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.1 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H373 T374 Y479 | H373-A377 PolarHBondContact O-N 2.88Å; T374-A377 PolarHBondContact O-N 2.92Å; A377-Y479 HydrophobicContact CB-CE1 4.25Å; A377-Y479 HydrophobicContact CB-CE2 3.81Å; A377-Y479 WeakPolarHBondContact CB-OH 3.47Å |
| 378 | S | 85 | Confident | 85.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 16.3 | -177.4 | -47.5 | 0 | 0 | 0 | 0 | 113.4 | T374 L375 R376 N380 E381 F382 N475 | T374-S378 WeakPolarHBondContact O-CB 3.44Å; T374-S378 PolarHBondContact O-N 3.11Å; T374-S378 PolarHBondContact O-OG 3.13Å; L375-S378 CarbonylContact O-C 3.5Å; L375-S378 PolarHBondContact O-N 2.96Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.29Å; S378-N380 PolarHBondContact O-N 2.91Å; S378-E381 WeakPolarHBondContact CA-OE2 3.07Å; S378-E381 PolarHBondContact O-N 2.87Å; S378-E381 VanDerWaalsContact O-OE2 3.11Å; S378-F382 WeakPolarHBondContact O-CD2 3.28Å; S378-F382 PolarHBondContact O-N 3.06Å; S378-N475 PolarHBondContact OG-ND2 3.16Å |
| 379 | T | 88.7 | Confident | 86.2 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -31.4 | -174 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | L375 R376 F382 L383 | L375-T379 PolarHBondContact O-N 2.94Å; L375-T379 VanDerWaalsContact O-N 3.15Å; L375-T379 PolarHBondContact O-OG1 3.43Å; R376-T379 WeakPolarHBondContact CA-OG1 3.02Å; R376-T379 WeakPolarHBondContact O-CB 3.31Å; R376-T379 PolarHBondContact O-N 3.3Å; R376-T379 PolarHBondContact O-OG1 3.3Å; T379-F382 PolarHBondContact O-N 3.06Å; T379-L383 VanDerWaalsContact O-CB 3.25Å; T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.22Å |
| 380 | N | 88.7 | Confident | 87.2 | Confident | 117 Ų | 117 | 63.3 Ų | 63.3 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 177.7 | -66.8 | -38.4 | 0 | 0 | 0 | 111.1 | S378 L383 L384 | S378-N380 PolarHBondContact O-N 2.91Å; N380-L383 PolarHBondContact O-N 2.9Å; N380-L384 VanDerWaalsContact O-CG 3.31Å; N380-L384 WeakPolarHBondContact O-CG 3.15Å; N380-L384 PolarHBondContact O-N 3.37Å |
| 381 | E | 90.1 | Very high | 88.2 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 177.6 | -61.9 | 88.4 | 153.6 | 0 | 0 | 111.3 | S378 L384 L385 V471 I472 N475 | S378-E381 WeakPolarHBondContact CA-OE2 3.07Å; S378-E381 PolarHBondContact O-N 2.87Å; S378-E381 VanDerWaalsContact O-OE2 3.11Å; E381-L384 PolarHBondContact O-N 3.44Å; E381-L385 PolarHBondContact O-N 2.89Å; E381-V471 HydrophobicContact CG-CG1 3.9Å; E381-I472 HydrophobicContact CB-CD1 4.43Å; E381-I472 HydrophobicContact CB-CG1 3.92Å; E381-N475 PolarHBondContact OE1-ND2 3.4Å; E381-N475 VanDerWaalsContact OE1-ND2 3.13Å |
| 382 | F | 89.4 | Confident | 88.9 | Confident | 63 Ų | 63 | 65 Ų | 65 | 28% | 0.276 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 171.5 | -83.4 | -72.3 | 0 | 0 | 0 | 112.2 | L375 S378 T379 L384 L385 I386 I472 | L375-F382 HydrophobicContact CD2-CD2 4.27Å; L375-F382 HydrophobicContact CD2-CE1 4.37Å; L375-F382 HydrophobicContact CD2-CE2 3.26Å; L375-F382 HydrophobicContact CD2-CZ 3.31Å; S378-F382 WeakPolarHBondContact O-CD2 3.28Å; S378-F382 PolarHBondContact O-N 3.06Å; T379-F382 PolarHBondContact O-N 3.06Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L385 WeakPolarHBondContact O-CB 3.18Å; F382-L385 PolarHBondContact O-N 3.35Å; F382-I386 WeakPolarHBondContact O-CG1 3.21Å; F382-I386 PolarHBondContact O-N 3.44Å; F382-I472 HydrophobicContact CD1-CD1 4.07Å; F382-I472 HydrophobicContact CD2-CD1 4.33Å; F382-I472 HydrophobicContact CE1-CD1 3.91Å; F382-I472 HydrophobicContact CE2-CD1 4.14Å; F382-I472 HydrophobicContact CE2-CG1 4.32Å; F382-I472 HydrophobicContact CE2-CG2 3.81Å; F382-I472 HydrophobicContact CG-CD1 4.27Å; F382-I472 HydrophobicContact CZ-CD1 3.94Å; F382-I472 HydrophobicContact CZ-CG1 4.46Å; F382-I472 HydrophobicContact CZ-CG2 3.67Å |
| 383 | L | 92.6 | Very high | 89.8 | Confident | 91 Ų | 91 | 63.6 Ų | 63.6 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.2 | -178.6 | 62.1 | 0 | 0 | 0 | 111 | T379 N380 L385 I386 I387 | T379-L383 VanDerWaalsContact O-CB 3.25Å; T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.22Å; N380-L383 PolarHBondContact O-N 2.9Å; L383-L385 PolarHBondContact O-N 3.45Å; L383-I386 PolarHBondContact O-N 3.16Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.38Å; L383-I387 HydrophobicContact CG-CD1 3.88Å; L383-I387 WeakPolarHBondContact O-CB 3.28Å; L383-I387 VanDerWaalsContact O-CG1 3.24Å; L383-I387 WeakPolarHBondContact O-CG1 3.49Å; L383-I387 PolarHBondContact O-N 3.43Å |
| 384 | L | 91.3 | Very high | 90.8 | Very high | 89 Ų | 89 | 66.1 Ų | 66.1 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.1 | -73.6 | 171.4 | 0 | 0 | 0 | 112 | N380 E381 F382 I386 I387 F388 | N380-L384 VanDerWaalsContact O-CG 3.31Å; N380-L384 WeakPolarHBondContact O-CG 3.15Å; N380-L384 PolarHBondContact O-N 3.37Å; E381-L384 PolarHBondContact O-N 3.44Å; F382-L384 VanDerWaalsContact C-N 3.34Å; L384-I386 PolarHBondContact O-N 3.45Å; L384-I387 PolarHBondContact O-N 3.4Å; L384-F388 WeakPolarHBondContact O-CD2 3.42Å; L384-F388 PolarHBondContact O-N 2.92Å |
| 385 | L | 92.2 | Very high | 91.7 | Very high | 30 Ų | 30 | 70.3 Ų | 70.3 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.1 | 176.9 | 64.7 | 0 | 0 | 0 | 111.6 | E381 F382 L383 I387 F388 L389 P468 | E381-L385 PolarHBondContact O-N 2.89Å; F382-L385 WeakPolarHBondContact O-CB 3.18Å; F382-L385 PolarHBondContact O-N 3.35Å; L383-L385 PolarHBondContact O-N 3.45Å; L385-I387 VanDerWaalsContact C-N 3.35Å; L385-I387 PolarHBondContact O-N 3.49Å; L385-F388 PolarHBondContact O-N 3.46Å; L385-L389 VanDerWaalsContact O-CB 3.3Å; L385-L389 WeakPolarHBondContact O-CB 3.31Å; L385-L389 PolarHBondContact O-N 3.26Å; L385-P468 HydrophobicContact CB-CB 4.06Å; L385-P468 HydrophobicContact CB-CG 4.03Å; L385-P468 HydrophobicContact CD1-CB 4.41Å; L385-P468 HydrophobicContact CD1-CG 3.97Å |
| 386 | I | 93.9 | Very high | 92.3 | Very high | 106 Ų | 106 | 67.9 Ų | 67.9 | 54% | 0.544 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -42 | 178.7 | -68.2 | 166.9 | 0 | 0 | 0 | 110.8 | F382 L383 L384 L389 A390 | F382-I386 WeakPolarHBondContact O-CG1 3.21Å; F382-I386 PolarHBondContact O-N 3.44Å; L383-I386 PolarHBondContact O-N 3.16Å; L384-I386 PolarHBondContact O-N 3.45Å; I386-L389 PolarHBondContact O-N 3.15Å; I386-A390 VanDerWaalsContact O-CB 3.25Å; I386-A390 WeakPolarHBondContact O-CB 3.49Å; I386-A390 PolarHBondContact O-N 3.23Å |
| 387 | I | 94.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 178.6 | -70.6 | 166.2 | 0 | 0 | 0 | 110.9 | L383 L384 L385 L389 A390 L391 | L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.38Å; L383-I387 HydrophobicContact CG-CD1 3.88Å; L383-I387 WeakPolarHBondContact O-CB 3.28Å; L383-I387 VanDerWaalsContact O-CG1 3.24Å; L383-I387 WeakPolarHBondContact O-CG1 3.49Å; L383-I387 PolarHBondContact O-N 3.43Å; L384-I387 PolarHBondContact O-N 3.4Å; L385-I387 VanDerWaalsContact C-N 3.35Å; L385-I387 PolarHBondContact O-N 3.49Å; I387-L389 VanDerWaalsContact C-N 3.34Å; I387-L389 PolarHBondContact O-N 2.93Å; I387-A390 PolarHBondContact O-N 2.84Å; I387-L391 HydrophobicContact CG2-CD1 3.98Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CB 3.38Å; I387-L391 WeakPolarHBondContact O-CG 3.02Å; I387-L391 PolarHBondContact O-N 3.31Å |
| 388 | F | 94 | Very high | 94 | Very high | 88 Ų | 88 | 58.9 Ų | 58.9 | 39% | 0.386 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 179.3 | -68.1 | -37.9 | 0 | 0 | 0 | 112.3 | L384 L385 G392 T464 | L384-F388 WeakPolarHBondContact O-CD2 3.42Å; L384-F388 PolarHBondContact O-N 2.92Å; L385-F388 PolarHBondContact O-N 3.46Å; F388-G392 PolarHBondContact O-N 3.1Å; F388-T464 HydrophobicContact CB-CG2 3.61Å |
| 389 | L | 95.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.6 | -172.4 | 67.6 | 0 | 0 | 0 | 111.3 | L385 I386 I387 L391 G392 V393 M435 | L385-L389 VanDerWaalsContact O-CB 3.3Å; L385-L389 WeakPolarHBondContact O-CB 3.31Å; L385-L389 PolarHBondContact O-N 3.26Å; I386-L389 PolarHBondContact O-N 3.15Å; I387-L389 VanDerWaalsContact C-N 3.34Å; I387-L389 PolarHBondContact O-N 2.93Å; L389-L391 PolarHBondContact O-N 3.43Å; L389-G392 PolarHBondContact O-N 2.97Å; L389-V393 HydrophobicContact CD1-CG2 4.48Å; L389-V393 HydrophobicContact CG-CG2 4.38Å; L389-V393 WeakPolarHBondContact O-CB 3.41Å; L389-V393 WeakPolarHBondContact O-CG2 3.18Å; L389-V393 PolarHBondContact O-N 3.11Å; L389-M435 HydrophobicContact CD1-CB 4.11Å; L389-M435 HydrophobicContact CD1-CE 3.98Å; L389-M435 HydrophobicContact CD1-SD 4.2Å |
| 390 | A | 96.7 | Very high | 94.9 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 48% | 0.479 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I386 I387 V393 L394 | I386-A390 VanDerWaalsContact O-CB 3.25Å; I386-A390 WeakPolarHBondContact O-CB 3.49Å; I386-A390 PolarHBondContact O-N 3.23Å; I387-A390 PolarHBondContact O-N 2.84Å; A390-V393 PolarHBondContact O-N 2.7Å; A390-L394 WeakPolarHBondContact O-CB 3.49Å; A390-L394 PolarHBondContact O-N 3.4Å |
| 391 | L | 96.7 | Very high | 95.2 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.8 | -71.8 | 175.3 | 0 | 0 | 0 | 111.5 | I387 L389 L394 I395 | I387-L391 HydrophobicContact CG2-CD1 3.98Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CB 3.38Å; I387-L391 WeakPolarHBondContact O-CG 3.02Å; I387-L391 PolarHBondContact O-N 3.31Å; L389-L391 PolarHBondContact O-N 3.43Å; L391-L394 PolarHBondContact O-N 3.29Å; L391-I395 WeakPolarHBondContact O-CB 3.27Å; L391-I395 WeakPolarHBondContact O-CD1 3.26Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.28Å; L391-I395 PolarHBondContact O-N 2.95Å |
| 392 | G | 96.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 60.2 Ų | 60.2 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | F388 L389 L394 I395 F396 M435 | F388-G392 PolarHBondContact O-N 3.1Å; L389-G392 PolarHBondContact O-N 2.97Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 2.99Å; G392-I395 PolarHBondContact O-N 3.32Å; G392-F396 WeakPolarHBondContact O-CB 3.43Å; G392-F396 WeakPolarHBondContact O-CD2 3.3Å; G392-F396 PolarHBondContact O-N 3.39Å; G392-M435 VanDerWaalsContact C-SD 3.55Å |
| 393 | V | 97.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 177 | 166.6 | 0 | 0 | 0 | 0 | 111 | L389 A390 A397 F428 A431 V432 M435 | L389-V393 HydrophobicContact CD1-CG2 4.48Å; L389-V393 HydrophobicContact CG-CG2 4.38Å; L389-V393 WeakPolarHBondContact O-CB 3.41Å; L389-V393 WeakPolarHBondContact O-CG2 3.18Å; L389-V393 PolarHBondContact O-N 3.11Å; A390-V393 PolarHBondContact O-N 2.7Å; V393-A397 WeakPolarHBondContact O-CB 3.33Å; V393-A397 PolarHBondContact O-N 3.48Å; V393-F428 HydrophobicContact CG1-CB 3.83Å; V393-F428 HydrophobicContact CG1-CD1 3.65Å; V393-F428 HydrophobicContact CG1-CE1 4.48Å; V393-F428 HydrophobicContact CG1-CG 3.93Å; V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.23Å; V393-A431 HydrophobicContact CG2-CB 4.41Å; V393-V432 HydrophobicContact CG1-CG2 4.12Å; V393-V432 HydrophobicContact CG2-CB 4.46Å; V393-V432 HydrophobicContact CG2-CG2 3.52Å; V393-M435 HydrophobicContact CG2-SD 3.98Å |
| 394 | L | 98.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 177.9 | 178.5 | 61.7 | 0 | 0 | 0 | 112.3 | A390 L391 G392 T398 F428 | A390-L394 WeakPolarHBondContact O-CB 3.49Å; A390-L394 PolarHBondContact O-N 3.4Å; L391-L394 PolarHBondContact O-N 3.29Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 2.99Å; L394-T398 WeakPolarHBondContact O-CB 3.41Å; L394-T398 PolarHBondContact O-N 2.97Å; L394-T398 VanDerWaalsContact O-N 3.08Å; L394-T398 PolarHBondContact O-OG1 3.4Å; L394-F428 HydrophobicContact CD1-CE1 3.98Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å |
| 395 | I | 98.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 51.5 Ų | 51.5 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -52.3 | -178.4 | -70.9 | 166 | 0 | 0 | 0 | 110.5 | L391 G392 T398 M399 | L391-I395 WeakPolarHBondContact O-CB 3.27Å; L391-I395 WeakPolarHBondContact O-CD1 3.26Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.28Å; L391-I395 PolarHBondContact O-N 2.95Å; G392-I395 PolarHBondContact O-N 3.32Å; I395-T398 PolarHBondContact O-N 3.14Å; I395-M399 HydrophobicContact CG2-CE 3.52Å; I395-M399 HydrophobicContact CG2-SD 4.28Å; I395-M399 WeakPolarHBondContact O-CG 3.22Å; I395-M399 PolarHBondContact O-N 3Å |
| 396 | F | 98.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 55.8 Ų | 55.8 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.8 | -36.2 | -177.5 | -72.8 | -68.3 | 0 | 0 | 0 | 113 | G392 T398 M399 I400 A431 M435 V453 L456 C457 A460 | G392-F396 WeakPolarHBondContact O-CB 3.43Å; G392-F396 WeakPolarHBondContact O-CD2 3.3Å; G392-F396 PolarHBondContact O-N 3.39Å; F396-T398 VanDerWaalsContact C-N 3.29Å; F396-T398 PolarHBondContact O-N 3.33Å; F396-M399 HydrophobicContact CD1-CE 3.2Å; F396-M399 HydrophobicContact CE1-CE 3.37Å; F396-M399 HydrophobicContact CG-CE 3.95Å; F396-M399 HydrophobicContact CZ-CE 4.24Å; F396-M399 PolarHBondContact O-N 2.9Å; F396-I400 WeakPolarHBondContact O-CB 3.26Å; F396-I400 VanDerWaalsContact O-CG2 3.31Å; F396-I400 WeakPolarHBondContact O-CG2 3.45Å; F396-I400 PolarHBondContact O-N 3.5Å; F396-A431 HydrophobicContact CB-CB 4.38Å; F396-M435 HydrophobicContact CD2-SD 4.21Å; F396-V453 HydrophobicContact CD1-CG1 4.19Å; F396-L456 HydrophobicContact CE1-CB 4.03Å; F396-C457 HydrophobicContact CB-CB 4.21Å; F396-C457 HydrophobicContact CD1-CB 3.48Å; F396-C457 VanDerWaalsContact CD1-CB 3.48Å; F396-C457 HydrophobicContact CD2-CB 4.18Å; F396-C457 VanDerWaalsContact CE1-CA 3.44Å; F396-C457 HydrophobicContact CE1-CB 3.86Å; F396-C457 HydrophobicContact CG-CB 3.69Å; F396-C457 VanDerWaalsContact CG-SG 3.58Å; F396-C457 HydrophobicContact CZ-CB 4.38Å; F396-A460 HydrophobicContact CE2-CB 3.52Å; F396-A460 HydrophobicContact CZ-CB 3.56Å |
| 397 | A | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V393 I400 Y401 I424 F428 A431 | V393-A397 WeakPolarHBondContact O-CB 3.33Å; V393-A397 PolarHBondContact O-N 3.48Å; A397-I400 WeakPolarHBondContact O-CG2 3.38Å; A397-Y401 WeakPolarHBondContact O-CB 3.47Å; A397-Y401 PolarHBondContact O-N 3.08Å; A397-I424 HydrophobicContact CB-CG2 4.21Å; A397-F428 HydrophobicContact CB-CD1 3.45Å; A397-F428 VanDerWaalsContact CB-CD1 3.45Å; A397-F428 HydrophobicContact CB-CE1 3.88Å; A397-A431 HydrophobicContact CB-CB 4.3Å |
| 398 | T | 97.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.7 | -45.9 | 174.9 | -55 | 0 | 0 | 0 | 0 | 110.9 | L394 I395 F396 I400 Y401 Y402 | L394-T398 WeakPolarHBondContact O-CB 3.41Å; L394-T398 PolarHBondContact O-N 2.97Å; L394-T398 VanDerWaalsContact O-N 3.08Å; L394-T398 PolarHBondContact O-OG1 3.4Å; I395-T398 PolarHBondContact O-N 3.14Å; F396-T398 VanDerWaalsContact C-N 3.29Å; F396-T398 PolarHBondContact O-N 3.33Å; T398-I400 PolarHBondContact O-N 2.78Å; T398-Y401 PolarHBondContact O-N 3.06Å; T398-Y402 HydrophobicContact CG2-CD2 3.95Å; T398-Y402 HydrophobicContact CG2-CE2 3.79Å; T398-Y402 VanDerWaalsContact O-CD2 3.26Å; T398-Y402 WeakPolarHBondContact O-CD2 3.24Å; T398-Y402 PolarHBondContact O-N 3.47Å |
| 399 | M | 97.2 | Very high | 92.7 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.9 | -73.4 | -172.3 | -59.5 | 0 | 0 | 112.2 | I395 F396 Y402 A403 V453 | I395-M399 HydrophobicContact CG2-CE 3.52Å; I395-M399 HydrophobicContact CG2-SD 4.28Å; I395-M399 WeakPolarHBondContact O-CG 3.22Å; I395-M399 PolarHBondContact O-N 3Å; F396-M399 HydrophobicContact CD1-CE 3.2Å; F396-M399 HydrophobicContact CE1-CE 3.37Å; F396-M399 HydrophobicContact CG-CE 3.95Å; F396-M399 HydrophobicContact CZ-CE 4.24Å; F396-M399 PolarHBondContact O-N 2.9Å; M399-Y402 PolarHBondContact O-N 3.27Å; M399-A403 WeakPolarHBondContact O-CB 3.48Å; M399-A403 PolarHBondContact O-N 3.41Å; M399-V453 HydrophobicContact CB-CG1 3.82Å; M399-V453 HydrophobicContact CB-CG2 4.16Å |
| 400 | I | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | -179.9 | -161.7 | 63.2 | 0 | 0 | 0 | 111.8 | F396 A397 T398 Y402 A403 E404 F421 W430 P445 G450 V453 | F396-I400 WeakPolarHBondContact O-CB 3.26Å; F396-I400 VanDerWaalsContact O-CG2 3.31Å; F396-I400 WeakPolarHBondContact O-CG2 3.45Å; F396-I400 PolarHBondContact O-N 3.5Å; A397-I400 WeakPolarHBondContact O-CG2 3.38Å; T398-I400 PolarHBondContact O-N 2.78Å; I400-Y402 VanDerWaalsContact C-N 3.31Å; I400-Y402 PolarHBondContact O-N 3.1Å; I400-A403 PolarHBondContact O-N 2.86Å; I400-E404 HydrophobicContact CD1-CG 4.16Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.38Å; I400-E404 WeakPolarHBondContact O-CG 3.35Å; I400-E404 PolarHBondContact O-N 3.05Å; I400-F421 HydrophobicContact CB-CE1 4.38Å; I400-F421 HydrophobicContact CD1-CZ 4.49Å; I400-F421 HydrophobicContact CG1-CD1 4.03Å; I400-F421 HydrophobicContact CG1-CD2 4.18Å; I400-F421 HydrophobicContact CG1-CE1 3.68Å; I400-F421 HydrophobicContact CG1-CE2 3.85Å; I400-F421 HydrophobicContact CG1-CG 4.26Å; I400-F421 HydrophobicContact CG1-CZ 3.59Å; I400-F421 HydrophobicContact CG2-CD1 3.64Å; I400-F421 HydrophobicContact CG2-CE1 3.71Å; I400-F421 HydrophobicContact CG2-CG 4.36Å; I400-F421 HydrophobicContact CG2-CZ 4.48Å; I400-W430 HydrophobicContact CB-CE3 4.16Å; I400-W430 HydrophobicContact CB-CH2 4.08Å; I400-W430 HydrophobicContact CB-CZ3 3.64Å; I400-W430 HydrophobicContact CD1-CH2 3.84Å; I400-W430 HydrophobicContact CD1-CZ2 4.21Å; I400-W430 HydrophobicContact CD1-CZ3 4.27Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.82Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.76Å; I400-W430 HydrophobicContact CG2-CE3 3.78Å; I400-W430 HydrophobicContact CG2-CZ3 3.72Å; I400-P445 HydrophobicContact CD1-CB 3.84Å; I400-P445 HydrophobicContact CD1-CG 4.46Å; I400-G450 WeakPolarHBondContact CD1-O 3.47Å; I400-V453 HydrophobicContact CB-CG1 4.16Å; I400-V453 HydrophobicContact CD1-CB 4.19Å; I400-V453 HydrophobicContact CD1-CG1 4.13Å |
| 401 | Y | 95 | Very high | 90.9 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 176.9 | 168.6 | -85.3 | 0 | 0 | 0 | 112.2 | A397 T398 R405 I424 | A397-Y401 WeakPolarHBondContact O-CB 3.47Å; A397-Y401 PolarHBondContact O-N 3.08Å; T398-Y401 PolarHBondContact O-N 3.06Å; Y401-R405 VanDerWaalsContact CE2-NH2 3.25Å; Y401-R405 WeakPolarHBondContact O-CG 3.27Å; Y401-R405 PolarHBondContact O-NH1 3.31Å; Y401-R405 VanDerWaalsContact OH-CZ 3.25Å; Y401-R405 PolarHBondContact OH-NH2 3.06Å; Y401-I424 HydrophobicContact CD1-CG1 4.17Å; Y401-I424 HydrophobicContact CD2-CG1 3.95Å; Y401-I424 HydrophobicContact CE2-CG1 4.36Å; Y401-I424 HydrophobicContact CG-CG1 3.85Å |
| 402 | Y | 94.4 | Very high | 90.2 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -78.9 | -42.7 | 176.3 | -75.1 | -67.8 | 0 | 0 | 0 | 112.2 | T398 M399 I400 E404 R405 V406 | T398-Y402 HydrophobicContact CG2-CD2 3.95Å; T398-Y402 HydrophobicContact CG2-CE2 3.79Å; T398-Y402 VanDerWaalsContact O-CD2 3.26Å; T398-Y402 WeakPolarHBondContact O-CD2 3.24Å; T398-Y402 PolarHBondContact O-N 3.47Å; M399-Y402 PolarHBondContact O-N 3.27Å; I400-Y402 VanDerWaalsContact C-N 3.31Å; I400-Y402 PolarHBondContact O-N 3.1Å; Y402-E404 VanDerWaalsContact C-N 3.28Å; Y402-E404 PolarHBondContact O-N 3.27Å; Y402-R405 PolarHBondContact O-N 3.2Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; Y402-V406 WeakPolarHBondContact O-CG2 3.41Å; Y402-V406 PolarHBondContact O-N 3.38Å |
| 403 | A | 94.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.2 | -38.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M399 I400 T447 S449 V453 | M399-A403 WeakPolarHBondContact O-CB 3.48Å; M399-A403 PolarHBondContact O-N 3.41Å; I400-A403 PolarHBondContact O-N 2.86Å; A403-T447 PolarHBondContact O-OG1 3.15Å; A403-S449 PolarHBondContact O-OG 2.82Å; A403-S449 VanDerWaalsContact O-OG 3.09Å; A403-V453 HydrophobicContact CB-CG2 4.11Å |
| 404 | E | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.6 | -29 | 179.1 | -71.1 | -73.8 | 110.5 | 0 | 0 | 112.6 | I400 Y402 V406 G407 H418 T419 F421 P445 Q446 T447 | I400-E404 HydrophobicContact CD1-CG 4.16Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.38Å; I400-E404 WeakPolarHBondContact O-CG 3.35Å; I400-E404 PolarHBondContact O-N 3.05Å; Y402-E404 VanDerWaalsContact C-N 3.28Å; Y402-E404 PolarHBondContact O-N 3.27Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 2.78Å; E404-G407 PolarHBondContact O-N 2.68Å; E404-H418 PolarHBondContact O-NE2 3.4Å; E404-T419 HydrophobicContact CB-CG2 4.49Å; E404-T419 WeakPolarHBondContact CB-OG1 3.37Å; E404-T419 PolarHBondContact OE2-OG1 3.31Å; E404-F421 HydrophobicContact CB-CD2 4.32Å; E404-F421 HydrophobicContact CG-CD2 3.66Å; E404-F421 HydrophobicContact CG-CE2 4.07Å; E404-F421 HydrophobicContact CG-CG 4.45Å; E404-P445 WeakPolarHBondContact OE1-CB 3.41Å; E404-Q446 PolarHBondContact OE1-N 2.85Å; E404-Q446 VanDerWaalsContact OE1-N 3.12Å; E404-Q446 PolarHBondContact OE2-N 2.99Å; E404-T447 WeakPolarHBondContact OE1-CB 3.41Å; E404-T447 PolarHBondContact OE1-N 2.85Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å |
| 405 | R | 89.7 | Confident | 87.3 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.4 | -21.2 | 175.6 | -78.8 | -171.5 | 170.8 | 68.8 | -3.2 | 114 | Y401 Y402 G407 A408 A415 F421 K422 | Y401-R405 VanDerWaalsContact CE2-NH2 3.25Å; Y401-R405 WeakPolarHBondContact O-CG 3.27Å; Y401-R405 PolarHBondContact O-NH1 3.31Å; Y401-R405 VanDerWaalsContact OH-CZ 3.25Å; Y401-R405 PolarHBondContact OH-NH2 3.06Å; Y402-R405 PolarHBondContact O-N 3.2Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; R405-G407 PolarHBondContact O-N 3.02Å; R405-A408 VanDerWaalsContact O-CB 3.26Å; R405-A408 WeakPolarHBondContact O-CB 3.29Å; R405-A408 PolarHBondContact O-N 3.46Å; R405-A408 VanDerWaalsContact O-N 3.13Å; R405-A415 HydrophobicContact CB-CB 4.33Å; R405-A415 HydrophobicContact CG-CB 3.85Å; R405-F421 PolarHBondContact NH1-O 3.17Å; R405-K422 PolarHBondContact NH2-O 2.93Å |
| 406 | V | 84.4 | Confident | 86.4 | Confident | 120 Ų | 120 | 59.6 Ų | 59.6 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.2 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | Y402 E404 | Y402-V406 WeakPolarHBondContact O-CG2 3.41Å; Y402-V406 PolarHBondContact O-N 3.38Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 2.78Å |
| 407 | G | 77 | Confident | 85.5 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 9.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E404 R405 | E404-G407 PolarHBondContact O-N 2.68Å; R405-G407 PolarHBondContact O-N 3.02Å |
| 408 | A | 77.7 | Confident | 84.7 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | trans | -63.3 | 138.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R405 A415 H418 | R405-A408 VanDerWaalsContact O-CB 3.26Å; R405-A408 WeakPolarHBondContact O-CB 3.29Å; R405-A408 PolarHBondContact O-N 3.46Å; R405-A408 VanDerWaalsContact O-N 3.13Å; A408-A415 HydrophobicContact CB-CB 3.48Å; A408-A415 VanDerWaalsContact CB-CB 3.48Å; A408-H418 WeakPolarHBondContact CA-CE1 3.22Å; A408-H418 WeakPolarHBondContact CB-CE1 3.3Å | ||
| 409 | Q | 74.4 | Confident | 84.3 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | trans | -66.7 | 140.7 | 174.2 | -64.9 | -177.8 | 16.5 | 0 | 0 | 109.6 | N411 D412 | Q409-N411 PolarHBondContact O-N 2.95Å; Q409-D412 PolarHBondContact O-N 3.34Å | ||
| 410 | P | 77.1 | Confident | 84 | Confident | 130 Ų | 130 | 66 Ų | 66 | 84% | 0.844 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.9 | 179.9 | -24.1 | 32.6 | 0 | 0 | 0 | 114.2 | D412 | P410-D412 VanDerWaalsContact C-N 3.31Š|
| 411 | N | 78.8 | Confident | 83.9 | Confident | 145 Ų | 145 | 66 Ų | 66 | 78% | 0.775 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -6 | -178 | -61.5 | -13.5 | 0 | 0 | 0 | 113.3 | Q409 P413 | Q409-N411 PolarHBondContact O-N 2.95Å; N411-P413 WeakPolarHBondContact O-CD 3.35Å |
| 412 | D | 81.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | trans | -110.8 | 92 | 175.6 | 178.9 | 10.5 | 0 | 0 | 0 | 110.5 | Q409 P410 S414 A415 S416 E417 | Q409-D412 PolarHBondContact O-N 3.34Å; P410-D412 VanDerWaalsContact C-N 3.31Å; D412-S414 PolarHBondContact O-N 3.23Å; D412-S414 VanDerWaalsContact O-N 3.13Å; D412-S414 WeakPolarHBondContact OD1-CA 3.46Å; D412-S414 WeakPolarHBondContact OD1-CB 3.23Å; D412-S414 PolarHBondContact OD1-N 3.03Å; D412-S414 PolarHBondContact OD1-OG 3.18Å; D412-A415 VanDerWaalsContact CG-N 3.35Å; D412-A415 PolarHBondContact O-N 3.08Å; D412-A415 PolarHBondContact OD1-N 2.81Å; D412-A415 VanDerWaalsContact OD2-CA 3.31Å; D412-A415 WeakPolarHBondContact OD2-CA 3.28Å; D412-A415 PolarHBondContact OD2-N 3.23Å; D412-S416 PolarHBondContact OD2-N 3.18Å; D412-E417 PolarHBondContact OD2-N 2.95Å | ||
| 413 | P | 75.8 | Confident | 83.6 | Confident | 135 Ų | 135 | 66 Ų | 66 | 88% | 0.877 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.4 | 179 | 25.3 | -32.9 | 0 | 0 | 0 | 113.2 | N411 | N411-P413 WeakPolarHBondContact O-CD 3.35Š|
| 414 | S | 79.1 | Confident | 83.7 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -15.8 | 177.3 | 76.9 | 0 | 0 | 0 | 0 | 113.2 | D412 S416 | D412-S414 PolarHBondContact O-N 3.23Å; D412-S414 VanDerWaalsContact O-N 3.13Å; D412-S414 WeakPolarHBondContact OD1-CA 3.46Å; D412-S414 WeakPolarHBondContact OD1-CB 3.23Å; D412-S414 PolarHBondContact OD1-N 3.03Å; D412-S414 PolarHBondContact OD1-OG 3.18Å; S414-S416 PolarHBondContact O-N 3.25Å; S414-S416 WeakPolarHBondContact OG-CB 3.07Å; S414-S416 PolarHBondContact OG-N 3.06Å; S414-S416 PolarHBondContact OG-OG 3Å |
| 415 | A | 78.1 | Confident | 83.9 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 12% | 0.116 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 49.2 | 39.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R405 A408 D412 H418 | R405-A415 HydrophobicContact CB-CB 4.33Å; R405-A415 HydrophobicContact CG-CB 3.85Å; A408-A415 HydrophobicContact CB-CB 3.48Å; A408-A415 VanDerWaalsContact CB-CB 3.48Å; D412-A415 VanDerWaalsContact CG-N 3.35Å; D412-A415 PolarHBondContact O-N 3.08Å; D412-A415 PolarHBondContact OD1-N 2.81Å; D412-A415 VanDerWaalsContact OD2-CA 3.31Å; D412-A415 WeakPolarHBondContact OD2-CA 3.28Å; D412-A415 PolarHBondContact OD2-N 3.23Å; A415-H418 PolarHBondContact O-CE1 3.39Å |
| 416 | S | 77.5 | Confident | 84.2 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -121.5 | -12.8 | -172.5 | 77.3 | 0 | 0 | 0 | 0 | 114.8 | D412 S414 | D412-S416 PolarHBondContact OD2-N 3.18Å; S414-S416 PolarHBondContact O-N 3.25Å; S414-S416 WeakPolarHBondContact OG-CB 3.07Å; S414-S416 PolarHBondContact OG-N 3.06Å; S414-S416 PolarHBondContact OG-OG 3Å | ||
| 417 | E | 79.6 | Confident | 84.8 | Confident | 164 Ų | 164 | 66.7 Ų | 66.7 | 77% | 0.766 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -76.3 | -35.3 | -178.8 | -68.5 | -166.6 | 158.9 | 0 | 0 | 112.7 | D412 | D412-E417 PolarHBondContact OD2-N 2.95Š|
| 418 | H | 82.5 | Confident | 85.8 | Confident | 32 Ų | 32 | 68 Ų | 68 | 15% | 0.148 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -89.5 | -0.7 | -176 | 70.2 | -68.8 | 0 | 0 | 0 | 113.9 | E404 A408 A415 Q446 | E404-H418 PolarHBondContact O-NE2 3.4Å; A408-H418 WeakPolarHBondContact CA-CE1 3.22Å; A408-H418 WeakPolarHBondContact CB-CE1 3.3Å; A415-H418 PolarHBondContact O-CE1 3.39Å; H418-Q446 PolarHBondContact O-OE1 3.3Å |
| 419 | T | 89 | Confident | 86.7 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | trans | -141.3 | 146.6 | -173.6 | -171.2 | 0 | 0 | 0 | 0 | 112.9 | E404 F421 | E404-T419 HydrophobicContact CB-CG2 4.49Å; E404-T419 WeakPolarHBondContact CB-OG1 3.37Å; E404-T419 PolarHBondContact OE2-OG1 3.31Å; T419-F421 VanDerWaalsContact C-N 3.28Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.49Å; T419-F421 PolarHBondContact OG1-N 2.94Å | ||
| 420 | Q | 90.5 | Very high | 87.9 | Confident | 71 Ų | 71 | 67 Ų | 67 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -80.6 | -12.8 | 174.3 | -62.7 | 172.2 | -56 | 0 | 0 | 111.8 | K422 D442 M443 | Q420-K422 VanDerWaalsContact C-N 3.31Å; Q420-K422 PolarHBondContact O-N 3Å; Q420-D442 PolarHBondContact NE2-O 3.42Å; Q420-D442 PolarHBondContact OE1-O 3Å; Q420-M443 HydrophobicContact CB-CE 4.04Å; Q420-M443 HydrophobicContact CB-CG 4.35Å; Q420-M443 VanDerWaalsContact OE1-CA 3.29Å |
| 421 | F | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | -85.6 | 60.8 | -175.5 | -61.6 | -82.9 | 0 | 0 | 0 | 113.1 | I400 E404 R405 T419 N423 W430 M443 | I400-F421 HydrophobicContact CB-CE1 4.38Å; I400-F421 HydrophobicContact CD1-CZ 4.49Å; I400-F421 HydrophobicContact CG1-CD1 4.03Å; I400-F421 HydrophobicContact CG1-CD2 4.18Å; I400-F421 HydrophobicContact CG1-CE1 3.68Å; I400-F421 HydrophobicContact CG1-CE2 3.85Å; I400-F421 HydrophobicContact CG1-CG 4.26Å; I400-F421 HydrophobicContact CG1-CZ 3.59Å; I400-F421 HydrophobicContact CG2-CD1 3.64Å; I400-F421 HydrophobicContact CG2-CE1 3.71Å; I400-F421 HydrophobicContact CG2-CG 4.36Å; I400-F421 HydrophobicContact CG2-CZ 4.48Å; E404-F421 HydrophobicContact CB-CD2 4.32Å; E404-F421 HydrophobicContact CG-CD2 3.66Å; E404-F421 HydrophobicContact CG-CE2 4.07Å; E404-F421 HydrophobicContact CG-CG 4.45Å; R405-F421 PolarHBondContact NH1-O 3.17Å; T419-F421 VanDerWaalsContact C-N 3.28Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.49Å; T419-F421 PolarHBondContact OG1-N 2.94Å; F421-N423 PolarHBondContact O-N 3.44Å; F421-W430 HydrophobicContact CE1-CB 3.66Å; F421-W430 AromaticContact CE1-CD2 3.61Å; F421-W430 HydrophobicContact CE1-CD2 3.61Å; F421-W430 AromaticContact CE1-CE3 3.91Å; F421-W430 HydrophobicContact CE1-CE3 3.91Å; F421-W430 AromaticContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CE1-CG 3.49Å; F421-W430 VanDerWaalsContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CZ-CB 4.25Å; F421-W430 AromaticContact CZ-CD1 3.83Å; F421-W430 AromaticContact CZ-CD2 3.74Å; F421-W430 HydrophobicContact CZ-CD2 3.74Å; F421-W430 AromaticContact CZ-CE2 3.93Å; F421-W430 HydrophobicContact CZ-CE3 4.34Å; F421-W430 AromaticContact CZ-CG 3.67Å; F421-W430 HydrophobicContact CZ-CG 3.67Å; F421-W430 AromaticContact CZ-NE1 3.96Å; F421-M443 HydrophobicContact CD1-CE 3.61Å; F421-M443 HydrophobicContact CE1-CE 3.67Å; F421-M443 HydrophobicContact CG-CE 4.15Å; F421-M443 HydrophobicContact CZ-CE 4.24Å | ||
| 422 | K | 91.4 | Very high | 89.7 | Confident | 123 Ų | 123 | 56.5 Ų | 56.5 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | trans | -64.6 | -36.9 | -172.8 | -58.6 | -175 | 178.5 | -174.6 | 0 | 113.9 | R405 Q420 I426 | R405-K422 PolarHBondContact NH2-O 2.93Å; Q420-K422 VanDerWaalsContact C-N 3.31Å; Q420-K422 PolarHBondContact O-N 3Å; K422-I426 HydrophobicContact CB-CD1 4.26Å | ||
| 423 | N | 92.9 | Very high | 90.5 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -151.2 | 155 | 179 | 48.8 | -65.4 | 0 | 0 | 0 | 110.8 | F421 I426 G427 | F421-N423 PolarHBondContact O-N 3.44Å; N423-I426 WeakPolarHBondContact O-CB 3.48Å; N423-I426 PolarHBondContact O-N 3.27Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.19Å; N423-I426 WeakPolarHBondContact OD1-CG1 2.95Å; N423-G427 PolarHBondContact O-N 3.38Å |
| 424 | I | 95.8 | Very high | 91.6 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54 | -42.8 | -174.1 | -58.9 | 171.9 | 0 | 0 | 0 | 112.7 | A397 Y401 I426 G427 F428 | A397-I424 HydrophobicContact CB-CG2 4.21Å; Y401-I424 HydrophobicContact CD1-CG1 4.17Å; Y401-I424 HydrophobicContact CD2-CG1 3.95Å; Y401-I424 HydrophobicContact CE2-CG1 4.36Å; Y401-I424 HydrophobicContact CG-CG1 3.85Å; I424-I426 VanDerWaalsContact C-N 3.3Å; I424-I426 PolarHBondContact O-N 2.86Å; I424-G427 CarbonylContact O-C 3.59Å; I424-G427 VanDerWaalsContact O-CA 3.28Å; I424-G427 WeakPolarHBondContact O-CA 3.46Å; I424-G427 PolarHBondContact O-N 3.41Å; I424-F428 HydrophobicContact CG2-CD1 4.38Å; I424-F428 HydrophobicContact CG2-CE1 3.65Å; I424-F428 HydrophobicContact CG2-CZ 4.03Å; I424-F428 PolarHBondContact O-N 3.19Å |
| 425 | P | 97.2 | Very high | 92.4 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -31.5 | 176.2 | -26.8 | 36.1 | 0 | 0 | 0 | 115.2 | G427 F428 | P425-G427 VanDerWaalsContact C-N 3.32Å; P425-F428 HydrophobicContact CB-CD2 4.28Å; P425-F428 HydrophobicContact CB-CE2 4.41Å; P425-F428 WeakPolarHBondContact O-CB 3.01Å; P425-F428 PolarHBondContact O-N 3Å |
| 426 | I | 95.5 | Very high | 93.3 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.9 | -37.8 | 171.9 | -64.2 | -178 | 0 | 0 | 0 | 109.5 | K422 N423 I424 F428 W429 M443 | K422-I426 HydrophobicContact CB-CD1 4.26Å; N423-I426 WeakPolarHBondContact O-CB 3.48Å; N423-I426 PolarHBondContact O-N 3.27Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.19Å; N423-I426 WeakPolarHBondContact OD1-CG1 2.95Å; I424-I426 VanDerWaalsContact C-N 3.3Å; I424-I426 PolarHBondContact O-N 2.86Å; I426-F428 PolarHBondContact O-N 3.21Å; I426-W429 WeakPolarHBondContact O-CB 3.47Å; I426-W429 PolarHBondContact O-N 3.28Å; I426-M443 HydrophobicContact CG2-CE 3.64Å; I426-M443 HydrophobicContact CG2-SD 3.91Å |
| 427 | G | 96.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -26.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N423 I424 P425 W429 W430 A431 | N423-G427 PolarHBondContact O-N 3.38Å; I424-G427 CarbonylContact O-C 3.59Å; I424-G427 VanDerWaalsContact O-CA 3.28Å; I424-G427 WeakPolarHBondContact O-CA 3.46Å; I424-G427 PolarHBondContact O-N 3.41Å; P425-G427 VanDerWaalsContact C-N 3.32Å; G427-W429 VanDerWaalsContact C-N 3.3Å; G427-W429 PolarHBondContact O-N 2.91Å; G427-W430 PolarHBondContact O-N 3.08Å; G427-A431 WeakPolarHBondContact O-CB 3.4Å; G427-A431 PolarHBondContact O-N 3.42Å |
| 428 | F | 98 | Very high | 95 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 33% | 0.325 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 174.6 | -63.8 | -22.2 | 0 | 0 | 0 | 112.2 | V393 L394 A397 I424 P425 I426 A431 V432 | V393-F428 HydrophobicContact CG1-CB 3.83Å; V393-F428 HydrophobicContact CG1-CD1 3.65Å; V393-F428 HydrophobicContact CG1-CE1 4.48Å; V393-F428 HydrophobicContact CG1-CG 3.93Å; L394-F428 HydrophobicContact CD1-CE1 3.98Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å; A397-F428 HydrophobicContact CB-CD1 3.45Å; A397-F428 VanDerWaalsContact CB-CD1 3.45Å; A397-F428 HydrophobicContact CB-CE1 3.88Å; I424-F428 HydrophobicContact CG2-CD1 4.38Å; I424-F428 HydrophobicContact CG2-CE1 3.65Å; I424-F428 HydrophobicContact CG2-CZ 4.03Å; I424-F428 PolarHBondContact O-N 3.19Å; P425-F428 HydrophobicContact CB-CD2 4.28Å; P425-F428 HydrophobicContact CB-CE2 4.41Å; P425-F428 WeakPolarHBondContact O-CB 3.01Å; P425-F428 PolarHBondContact O-N 3Å; I426-F428 PolarHBondContact O-N 3.21Å; F428-A431 PolarHBondContact O-N 2.92Å; F428-V432 WeakPolarHBondContact O-CB 3.49Å; F428-V432 VanDerWaalsContact O-CG2 3.28Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.37Å |
| 429 | W | 97.7 | Very high | 95.6 | Very high | 120 Ų | 120 | 49.6 Ų | 49.6 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.1 | -51.7 | 177.3 | 167.7 | -110.8 | 0 | 0 | 0 | 111.3 | I426 G427 A431 V432 V433 Y440 D442 | I426-W429 WeakPolarHBondContact O-CB 3.47Å; I426-W429 PolarHBondContact O-N 3.28Å; G427-W429 VanDerWaalsContact C-N 3.3Å; G427-W429 PolarHBondContact O-N 2.91Å; W429-A431 PolarHBondContact O-N 2.86Å; W429-V432 PolarHBondContact O-N 3.04Å; W429-V433 HydrophobicContact CD2-CG2 4.07Å; W429-V433 HydrophobicContact CE3-CG2 4.17Å; W429-V433 HydrophobicContact CH2-CG2 4.01Å; W429-V433 HydrophobicContact CZ2-CG2 3.89Å; W429-V433 HydrophobicContact CZ3-CG2 4.14Å; W429-V433 WeakPolarHBondContact O-CB 3.23Å; W429-V433 VanDerWaalsContact O-CG2 3.29Å; W429-V433 WeakPolarHBondContact O-CG2 3.42Å; W429-V433 PolarHBondContact O-N 3.06Å; W429-V433 VanDerWaalsContact O-N 3.08Å; W429-Y440 HydrophobicContact CH2-CD2 4.1Å; W429-Y440 AromaticContact CH2-CE2 3.72Å; W429-Y440 HydrophobicContact CH2-CE2 3.72Å; W429-Y440 AromaticContact CZ2-CD2 3.71Å; W429-Y440 HydrophobicContact CZ2-CD2 3.71Å; W429-Y440 AromaticContact CZ2-CE2 3.83Å; W429-Y440 HydrophobicContact CZ2-CE2 3.83Å; W429-D442 PolarHBondContact NE1-OD2 3.23Å |
| 430 | W | 97.9 | Very high | 96 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 176 | 173 | 82 | 0 | 0 | 0 | 111.9 | I400 F421 G427 V432 V433 T434 M443 V453 C457 | I400-W430 HydrophobicContact CB-CE3 4.16Å; I400-W430 HydrophobicContact CB-CH2 4.08Å; I400-W430 HydrophobicContact CB-CZ3 3.64Å; I400-W430 HydrophobicContact CD1-CH2 3.84Å; I400-W430 HydrophobicContact CD1-CZ2 4.21Å; I400-W430 HydrophobicContact CD1-CZ3 4.27Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.82Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.76Å; I400-W430 HydrophobicContact CG2-CE3 3.78Å; I400-W430 HydrophobicContact CG2-CZ3 3.72Å; F421-W430 HydrophobicContact CE1-CB 3.66Å; F421-W430 AromaticContact CE1-CD2 3.61Å; F421-W430 HydrophobicContact CE1-CD2 3.61Å; F421-W430 AromaticContact CE1-CE3 3.91Å; F421-W430 HydrophobicContact CE1-CE3 3.91Å; F421-W430 AromaticContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CE1-CG 3.49Å; F421-W430 VanDerWaalsContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CZ-CB 4.25Å; F421-W430 AromaticContact CZ-CD1 3.83Å; F421-W430 AromaticContact CZ-CD2 3.74Å; F421-W430 HydrophobicContact CZ-CD2 3.74Å; F421-W430 AromaticContact CZ-CE2 3.93Å; F421-W430 HydrophobicContact CZ-CE3 4.34Å; F421-W430 AromaticContact CZ-CG 3.67Å; F421-W430 HydrophobicContact CZ-CG 3.67Å; F421-W430 AromaticContact CZ-NE1 3.96Å; G427-W430 PolarHBondContact O-N 3.08Å; W430-V432 PolarHBondContact O-N 2.85Å; W430-V433 PolarHBondContact O-N 3.4Å; W430-T434 PolarHBondContact NE1-OG1 3.34Å; W430-T434 WeakPolarHBondContact O-CB 3.45Å; W430-T434 PolarHBondContact O-N 3.4Å; W430-T434 PolarHBondContact O-OG1 3.43Å; W430-M443 HydrophobicContact CB-CB 4.16Å; W430-M443 HydrophobicContact CB-CE 4.34Å; W430-M443 HydrophobicContact CB-SD 4.25Å; W430-M443 HydrophobicContact CG-CB 4.36Å; W430-V453 HydrophobicContact CH2-CG1 4.48Å; W430-C457 HydrophobicContact CH2-CB 4.24Å |
| 431 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V393 F396 A397 G427 F428 W429 M435 | V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.23Å; V393-A431 HydrophobicContact CG2-CB 4.41Å; F396-A431 HydrophobicContact CB-CB 4.38Å; A397-A431 HydrophobicContact CB-CB 4.3Å; G427-A431 WeakPolarHBondContact O-CB 3.4Å; G427-A431 PolarHBondContact O-N 3.42Å; F428-A431 PolarHBondContact O-N 2.92Å; W429-A431 PolarHBondContact O-N 2.86Å; A431-M435 VanDerWaalsContact O-CB 3.23Å; A431-M435 WeakPolarHBondContact O-CB 3.38Å; A431-M435 WeakPolarHBondContact O-CG 3.29Å; A431-M435 PolarHBondContact O-N 3.49Å |
| 432 | V | 97.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 59 Ų | 59 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -52.9 | 173.9 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | V393 F428 W429 W430 T434 M435 T436 | V393-V432 HydrophobicContact CG1-CG2 4.12Å; V393-V432 HydrophobicContact CG2-CB 4.46Å; V393-V432 HydrophobicContact CG2-CG2 3.52Å; F428-V432 WeakPolarHBondContact O-CB 3.49Å; F428-V432 VanDerWaalsContact O-CG2 3.28Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.37Å; W429-V432 PolarHBondContact O-N 3.04Å; W430-V432 PolarHBondContact O-N 2.85Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.42Å; V432-M435 PolarHBondContact O-N 3.47Å; V432-T436 WeakPolarHBondContact O-CG2 3.46Å; V432-T436 PolarHBondContact O-N 3.27Å; V432-T436 PolarHBondContact O-OG1 3.06Å |
| 433 | V | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.7 | -37.9 | -177.6 | 168.7 | 0 | 0 | 0 | 0 | 112.2 | W429 W430 T437 L438 G439 Y440 | W429-V433 HydrophobicContact CD2-CG2 4.07Å; W429-V433 HydrophobicContact CE3-CG2 4.17Å; W429-V433 HydrophobicContact CH2-CG2 4.01Å; W429-V433 HydrophobicContact CZ2-CG2 3.89Å; W429-V433 HydrophobicContact CZ3-CG2 4.14Å; W429-V433 WeakPolarHBondContact O-CB 3.23Å; W429-V433 VanDerWaalsContact O-CG2 3.29Å; W429-V433 WeakPolarHBondContact O-CG2 3.42Å; W429-V433 PolarHBondContact O-N 3.06Å; W429-V433 VanDerWaalsContact O-N 3.08Å; W430-V433 PolarHBondContact O-N 3.4Å; V433-T437 PolarHBondContact O-N 2.81Å; V433-L438 HydrophobicContact CG1-CB 4.02Å; V433-L438 PolarHBondContact O-N 2.94Å; V433-G439 PolarHBondContact O-N 2.96Å; V433-Y440 HydrophobicContact CB-CD2 4.39Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.31Å; V433-Y440 HydrophobicContact CG1-CG 4.3Å; V433-Y440 HydrophobicContact CG2-CD2 3.72Å; V433-Y440 HydrophobicContact CG2-CE2 3.83Å |
| 434 | T | 97.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75 | -44.9 | 177 | -57.6 | 0 | 0 | 0 | 0 | 112 | W430 V432 T436 T437 C457 A458 | W430-T434 PolarHBondContact NE1-OG1 3.34Å; W430-T434 WeakPolarHBondContact O-CB 3.45Å; W430-T434 PolarHBondContact O-N 3.4Å; W430-T434 PolarHBondContact O-OG1 3.43Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.42Å; T434-T436 VanDerWaalsContact C-N 3.32Å; T434-T436 PolarHBondContact O-N 2.89Å; T434-T437 PolarHBondContact O-N 3.28Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; T434-A458 HydrophobicContact CG2-CB 4.17Å |
| 435 | M | 96.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 179.4 | -74.9 | -174.2 | 74.4 | 0 | 0 | 112.6 | L389 G392 V393 F396 A431 V432 T437 C457 G461 | L389-M435 HydrophobicContact CD1-CB 4.11Å; L389-M435 HydrophobicContact CD1-CE 3.98Å; L389-M435 HydrophobicContact CD1-SD 4.2Å; G392-M435 VanDerWaalsContact C-SD 3.55Å; V393-M435 HydrophobicContact CG2-SD 3.98Å; F396-M435 HydrophobicContact CD2-SD 4.21Å; A431-M435 VanDerWaalsContact O-CB 3.23Å; A431-M435 WeakPolarHBondContact O-CB 3.38Å; A431-M435 WeakPolarHBondContact O-CG 3.29Å; A431-M435 PolarHBondContact O-N 3.49Å; V432-M435 PolarHBondContact O-N 3.47Å; M435-T437 PolarHBondContact O-N 3.18Å; M435-C457 VanDerWaalsContact CG-SG 3.58Å; M435-G461 CarbonylContact O-C 3.52Å; M435-G461 VanDerWaalsContact O-CA 3.27Å; M435-G461 WeakPolarHBondContact O-CA 3.45Å |
| 436 | T | 96 | Very high | 96.2 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 10.4 | 175 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | V432 T434 L438 I465 | V432-T436 WeakPolarHBondContact O-CG2 3.46Å; V432-T436 PolarHBondContact O-N 3.27Å; V432-T436 PolarHBondContact O-OG1 3.06Å; T434-T436 VanDerWaalsContact C-N 3.32Å; T434-T436 PolarHBondContact O-N 2.89Å; T436-L438 PolarHBondContact O-N 3.31Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.38Å; T436-L438 WeakPolarHBondContact OG1-CG 3.49Å; T436-I465 HydrophobicContact CG2-CD1 4.22Å |
| 437 | T | 96.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 60% | 0.601 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 26 | 178.5 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | V433 T434 M435 V462 | V433-T437 PolarHBondContact O-N 2.81Å; T434-T437 PolarHBondContact O-N 3.28Å; M435-T437 PolarHBondContact O-N 3.18Å; T437-V462 HydrophobicContact CG2-CG2 3.59Å |
| 438 | L | 97 | Very high | 95.9 | Very high | 100 Ų | 100 | 63.9 Ų | 63.9 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | trans | -75.7 | -50.7 | 178.1 | -71.7 | 174.9 | 0 | 0 | 0 | 110.8 | V433 T436 Y440 | V433-L438 HydrophobicContact CG1-CB 4.02Å; V433-L438 PolarHBondContact O-N 2.94Å; T436-L438 PolarHBondContact O-N 3.31Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.38Å; T436-L438 WeakPolarHBondContact OG1-CG 3.49Å; L438-Y440 HydrophobicContact CD1-CE2 4.25Å | ||
| 439 | G | 95.7 | Very high | 95.7 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | trans | 58.1 | 56.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V433 G441 | V433-G439 PolarHBondContact O-N 2.96Å; G439-G441 PolarHBondContact O-N 3.25Å | ||
| 440 | Y | 96.6 | Very high | 95.6 | Very high | 151 Ų | 151 | 56.6 Ų | 56.6 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | trans | -57.9 | -29.6 | 179 | -66.5 | -58.8 | 0 | 0 | 0 | 114.2 | W429 V433 L438 D442 | W429-Y440 HydrophobicContact CH2-CD2 4.1Å; W429-Y440 AromaticContact CH2-CE2 3.72Å; W429-Y440 HydrophobicContact CH2-CE2 3.72Å; W429-Y440 AromaticContact CZ2-CD2 3.71Å; W429-Y440 HydrophobicContact CZ2-CD2 3.71Å; W429-Y440 AromaticContact CZ2-CE2 3.83Å; W429-Y440 HydrophobicContact CZ2-CE2 3.83Å; V433-Y440 HydrophobicContact CB-CD2 4.39Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.31Å; V433-Y440 HydrophobicContact CG1-CG 4.3Å; V433-Y440 HydrophobicContact CG2-CD2 3.72Å; V433-Y440 HydrophobicContact CG2-CE2 3.83Å; L438-Y440 HydrophobicContact CD1-CE2 4.25Å; Y440-D442 VanDerWaalsContact C-N 3.32Å; Y440-D442 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 441 | G | 94.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 61 Ų | 61 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 81.7 | 7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G439 M443 | G439-G441 PolarHBondContact O-N 3.25Å; G441-M443 VanDerWaalsContact C-N 3.34Å |
| 442 | D | 95.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -70.9 | -30.3 | 173.3 | 64.3 | -44 | 0 | 0 | 0 | 112.5 | Q420 W429 Y440 | Q420-D442 PolarHBondContact NE2-O 3.42Å; Q420-D442 PolarHBondContact OE1-O 3Å; W429-D442 PolarHBondContact NE1-OD2 3.23Å; Y440-D442 VanDerWaalsContact C-N 3.32Å; Y440-D442 WeakPolarHBondContact CB-OD1 3.43Å |
| 443 | M | 94.5 | Very high | 95.5 | Very high | 20 Ų | 20 | 63.6 Ų | 63.6 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -125.7 | 132.8 | 171.3 | -68.4 | -174.2 | 70.5 | 0 | 0 | 111.5 | Q420 F421 I426 W430 G441 | Q420-M443 HydrophobicContact CB-CE 4.04Å; Q420-M443 HydrophobicContact CB-CG 4.35Å; Q420-M443 VanDerWaalsContact OE1-CA 3.29Å; F421-M443 HydrophobicContact CD1-CE 3.61Å; F421-M443 HydrophobicContact CE1-CE 3.67Å; F421-M443 HydrophobicContact CG-CE 4.15Å; F421-M443 HydrophobicContact CZ-CE 4.24Å; I426-M443 HydrophobicContact CG2-CE 3.64Å; I426-M443 HydrophobicContact CG2-SD 3.91Å; W430-M443 HydrophobicContact CB-CB 4.16Å; W430-M443 HydrophobicContact CB-CE 4.34Å; W430-M443 HydrophobicContact CB-SD 4.25Å; W430-M443 HydrophobicContact CG-CB 4.36Å; G441-M443 VanDerWaalsContact C-N 3.34Å |
| 444 | Y | 94.8 | Very high | 95.4 | Very high | 126 Ų | 126 | 64 Ų | 64 | 49% | 0.494 | 34% | 0.34 | S | S | . | . | trans | -152.2 | 149 | 177.6 | 57.8 | -88.8 | 0 | 0 | 0 | 112.5 | Q446 | Y444-Q446 HydrophobicContact CD2-CG 4.32Å; Y444-Q446 HydrophobicContact CE2-CG 4.04Å | ||
| 445 | P | 94.4 | Very high | 95.4 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 13% | 0.13 | 36% | 0.358 | C | S | . | . | trans | -69.6 | 138.6 | 175.1 | 26.5 | -32.1 | 0 | 0 | 0 | 111.8 | I400 E404 M451 | I400-P445 HydrophobicContact CD1-CB 3.84Å; I400-P445 HydrophobicContact CD1-CG 4.46Å; E404-P445 WeakPolarHBondContact OE1-CB 3.41Å; P445-M451 HydrophobicContact CB-CG 4.46Å; P445-M451 HydrophobicContact CG-CG 4.24Å | ||
| 446 | Q | 91.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 70.1 Ų | 70.1 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | trans | -103.4 | -24.5 | 176.2 | -59.5 | -171.7 | 5.3 | 0 | 0 | 112.3 | E404 H418 Y444 | E404-Q446 PolarHBondContact OE1-N 2.85Å; E404-Q446 VanDerWaalsContact OE1-N 3.12Å; E404-Q446 PolarHBondContact OE2-N 2.99Å; H418-Q446 PolarHBondContact O-OE1 3.3Å; Y444-Q446 HydrophobicContact CD2-CG 4.32Å; Y444-Q446 HydrophobicContact CE2-CG 4.04Å | ||
| 447 | T | 92.8 | Very high | 95.6 | Very high | 20 Ų | 20 | 68.2 Ų | 68.2 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -85.7 | 151.8 | 179.7 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | A403 E404 S449 G450 M451 | A403-T447 PolarHBondContact O-OG1 3.15Å; E404-T447 WeakPolarHBondContact OE1-CB 3.41Å; E404-T447 PolarHBondContact OE1-N 2.85Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å; T447-S449 VanDerWaalsContact C-N 3.28Å; T447-S449 PolarHBondContact O-N 3.4Å; T447-S449 PolarHBondContact OG1-OG 2.83Å; T447-G450 PolarHBondContact O-N 3.27Å; T447-G450 VanDerWaalsContact O-N 3.11Å; T447-G450 PolarHBondContact OG1-N 3.45Å; T447-M451 WeakPolarHBondContact O-CG 3.17Å; T447-M451 PolarHBondContact O-N 3.34Å |
| 448 | W | 92.7 | Very high | 95.6 | Very high | 207 Ų | 207 | 65.3 Ų | 65.3 | 78% | 0.784 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.3 | -39.5 | 175.5 | -178 | 79.7 | 0 | 0 | 0 | 112.2 | M451 L452 | W448-M451 PolarHBondContact O-N 2.84Å; W448-L452 PolarHBondContact O-N 3.37Å |
| 449 | S | 94.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 172.5 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | A403 T447 L452 V453 | A403-S449 PolarHBondContact O-OG 2.82Å; A403-S449 VanDerWaalsContact O-OG 3.09Å; T447-S449 VanDerWaalsContact C-N 3.28Å; T447-S449 PolarHBondContact O-N 3.4Å; T447-S449 PolarHBondContact OG1-OG 2.83Å; S449-L452 PolarHBondContact O-N 2.93Å; S449-V453 WeakPolarHBondContact O-CG2 3.26Å; S449-V453 PolarHBondContact O-N 3.27Å |
| 450 | G | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I400 T447 V453 G454 | I400-G450 WeakPolarHBondContact CD1-O 3.47Å; T447-G450 PolarHBondContact O-N 3.27Å; T447-G450 VanDerWaalsContact O-N 3.11Å; T447-G450 PolarHBondContact OG1-N 3.45Å; G450-V453 PolarHBondContact O-N 3.36Å; G450-G454 PolarHBondContact O-N 3.48Å |
| 451 | M | 95.6 | Very high | 95.6 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175.2 | -69 | 177.3 | -175 | 0 | 0 | 111.8 | P445 T447 W448 G454 A455 | P445-M451 HydrophobicContact CB-CG 4.46Å; P445-M451 HydrophobicContact CG-CG 4.24Å; T447-M451 WeakPolarHBondContact O-CG 3.17Å; T447-M451 PolarHBondContact O-N 3.34Å; W448-M451 PolarHBondContact O-N 2.84Å; M451-G454 PolarHBondContact O-N 2.99Å; M451-A455 PolarHBondContact O-N 3.31Å |
| 452 | L | 97 | Very high | 95.7 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 173.9 | 178.8 | 64 | 0 | 0 | 0 | 111.5 | W448 S449 G454 A455 L456 | W448-L452 PolarHBondContact O-N 3.37Å; S449-L452 PolarHBondContact O-N 2.93Å; L452-G454 VanDerWaalsContact C-N 3.31Å; L452-G454 PolarHBondContact O-N 3.04Å; L452-A455 PolarHBondContact O-N 3.36Å; L452-L456 HydrophobicContact CG-CD1 4.48Å; L452-L456 WeakPolarHBondContact O-CG 3.45Å; L452-L456 PolarHBondContact O-N 3.04Å |
| 453 | V | 97.5 | Very high | 95.6 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | F396 M399 I400 A403 W430 S449 G450 L456 C457 | F396-V453 HydrophobicContact CD1-CG1 4.19Å; M399-V453 HydrophobicContact CB-CG1 3.82Å; M399-V453 HydrophobicContact CB-CG2 4.16Å; I400-V453 HydrophobicContact CB-CG1 4.16Å; I400-V453 HydrophobicContact CD1-CB 4.19Å; I400-V453 HydrophobicContact CD1-CG1 4.13Å; A403-V453 HydrophobicContact CB-CG2 4.11Å; W430-V453 HydrophobicContact CH2-CG1 4.48Å; S449-V453 WeakPolarHBondContact O-CG2 3.26Å; S449-V453 PolarHBondContact O-N 3.27Å; G450-V453 PolarHBondContact O-N 3.36Å; V453-L456 PolarHBondContact O-N 3.17Å; V453-C457 VanDerWaalsContact O-CB 3.26Å; V453-C457 WeakPolarHBondContact O-CB 3.49Å; V453-C457 PolarHBondContact O-N 3.48Å |
| 454 | G | 97.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G450 M451 L452 C457 A458 | G450-G454 PolarHBondContact O-N 3.48Å; M451-G454 PolarHBondContact O-N 2.99Å; L452-G454 VanDerWaalsContact C-N 3.31Å; L452-G454 PolarHBondContact O-N 3.04Å; G454-C457 WeakPolarHBondContact O-CB 3.38Å; G454-C457 PolarHBondContact O-N 3.18Å; G454-A458 PolarHBondContact O-N 2.98Å |
| 455 | A | 97.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 51% | 0.512 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M451 L452 C457 A458 L459 | M451-A455 PolarHBondContact O-N 3.31Å; L452-A455 PolarHBondContact O-N 3.36Å; A455-C457 VanDerWaalsContact C-N 3.34Å; A455-A458 PolarHBondContact O-N 3.43Å; A455-L459 PolarHBondContact O-N 2.98Å; A455-L459 VanDerWaalsContact O-N 3.17Å |
| 456 | L | 97.7 | Very high | 95.4 | Very high | 92 Ų | 92 | 59.1 Ų | 59.1 | 48% | 0.482 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 175.6 | -66.9 | 175.3 | 0 | 0 | 0 | 112 | F396 L452 V453 L459 A460 | F396-L456 HydrophobicContact CE1-CB 4.03Å; L452-L456 HydrophobicContact CG-CD1 4.48Å; L452-L456 WeakPolarHBondContact O-CG 3.45Å; L452-L456 PolarHBondContact O-N 3.04Å; V453-L456 PolarHBondContact O-N 3.17Å; L456-L459 PolarHBondContact O-N 2.92Å; L456-A460 VanDerWaalsContact O-CB 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.43Å; L456-A460 PolarHBondContact O-N 3.26Å |
| 457 | C | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 177 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | F396 W430 T434 M435 V453 G454 A455 A460 G461 | F396-C457 HydrophobicContact CB-CB 4.21Å; F396-C457 HydrophobicContact CD1-CB 3.48Å; F396-C457 VanDerWaalsContact CD1-CB 3.48Å; F396-C457 HydrophobicContact CD2-CB 4.18Å; F396-C457 VanDerWaalsContact CE1-CA 3.44Å; F396-C457 HydrophobicContact CE1-CB 3.86Å; F396-C457 HydrophobicContact CG-CB 3.69Å; F396-C457 VanDerWaalsContact CG-SG 3.58Å; F396-C457 HydrophobicContact CZ-CB 4.38Å; W430-C457 HydrophobicContact CH2-CB 4.24Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; M435-C457 VanDerWaalsContact CG-SG 3.58Å; V453-C457 VanDerWaalsContact O-CB 3.26Å; V453-C457 WeakPolarHBondContact O-CB 3.49Å; V453-C457 PolarHBondContact O-N 3.48Å; G454-C457 WeakPolarHBondContact O-CB 3.38Å; G454-C457 PolarHBondContact O-N 3.18Å; A455-C457 VanDerWaalsContact C-N 3.34Å; C457-A460 PolarHBondContact O-N 3.36Å; C457-G461 PolarHBondContact O-N 3.09Å |
| 458 | A | 97.4 | Very high | 95 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T434 G454 A455 G461 V462 | T434-A458 HydrophobicContact CG2-CB 4.17Å; G454-A458 PolarHBondContact O-N 2.98Å; A455-A458 PolarHBondContact O-N 3.43Å; A458-G461 PolarHBondContact O-N 3.26Å; A458-V462 WeakPolarHBondContact O-CG2 3.45Å; A458-V462 PolarHBondContact O-N 2.88Å; A458-V462 VanDerWaalsContact O-N 3.15Å |
| 459 | L | 96.8 | Very high | 94.9 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 177.2 | 179.6 | 61 | 0 | 0 | 0 | 111.9 | A455 L456 G461 V462 L463 | A455-L459 PolarHBondContact O-N 2.98Å; A455-L459 VanDerWaalsContact O-N 3.17Å; L456-L459 PolarHBondContact O-N 2.92Å; L459-G461 VanDerWaalsContact C-N 3.33Å; L459-G461 PolarHBondContact O-N 3.47Å; L459-V462 PolarHBondContact O-N 2.67Å; L459-L463 HydrophobicContact CD1-CD1 4.35Å; L459-L463 HydrophobicContact CG-CD1 4.24Å; L459-L463 WeakPolarHBondContact O-CG 3.43Å; L459-L463 PolarHBondContact O-N 2.89Å; L459-L463 VanDerWaalsContact O-N 3.16Å |
| 460 | A | 96.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F396 L456 C457 L463 T464 | F396-A460 HydrophobicContact CE2-CB 3.52Å; F396-A460 HydrophobicContact CZ-CB 3.56Å; L456-A460 VanDerWaalsContact O-CB 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.43Å; L456-A460 PolarHBondContact O-N 3.26Å; C457-A460 PolarHBondContact O-N 3.36Å; A460-L463 PolarHBondContact O-N 3.39Å; A460-T464 VanDerWaalsContact O-CB 3.3Å; A460-T464 WeakPolarHBondContact O-CB 3.41Å; A460-T464 PolarHBondContact O-N 3.41Å; A460-T464 PolarHBondContact O-OG1 2.87Å |
| 461 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M435 C457 A458 L459 L463 T464 I465 | M435-G461 CarbonylContact O-C 3.52Å; M435-G461 VanDerWaalsContact O-CA 3.27Å; M435-G461 WeakPolarHBondContact O-CA 3.45Å; C457-G461 PolarHBondContact O-N 3.09Å; A458-G461 PolarHBondContact O-N 3.26Å; L459-G461 VanDerWaalsContact C-N 3.33Å; L459-G461 PolarHBondContact O-N 3.47Å; G461-L463 PolarHBondContact O-N 3.36Å; G461-T464 PolarHBondContact O-N 3.31Å; G461-I465 WeakPolarHBondContact O-CG1 3.36Å; G461-I465 PolarHBondContact O-N 3.16Å |
| 462 | V | 95.9 | Very high | 93.9 | Very high | 77 Ų | 77 | 54.5 Ų | 54.5 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | T437 A458 L459 T464 I465 A466 | T437-V462 HydrophobicContact CG2-CG2 3.59Å; A458-V462 WeakPolarHBondContact O-CG2 3.45Å; A458-V462 PolarHBondContact O-N 2.88Å; A458-V462 VanDerWaalsContact O-N 3.15Å; L459-V462 PolarHBondContact O-N 2.67Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.94Å; V462-I465 PolarHBondContact O-N 3.41Å; V462-A466 WeakPolarHBondContact O-CB 3.47Å; V462-A466 PolarHBondContact O-N 3.23Å |
| 463 | L | 94.5 | Very high | 93.5 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 58% | 0.581 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 178.6 | -67.9 | 172.9 | 0 | 0 | 0 | 112.3 | L459 A460 G461 A466 M467 | L459-L463 HydrophobicContact CD1-CD1 4.35Å; L459-L463 HydrophobicContact CG-CD1 4.24Å; L459-L463 WeakPolarHBondContact O-CG 3.43Å; L459-L463 PolarHBondContact O-N 2.89Å; L459-L463 VanDerWaalsContact O-N 3.16Å; A460-L463 PolarHBondContact O-N 3.39Å; G461-L463 PolarHBondContact O-N 3.36Å; L463-A466 PolarHBondContact O-N 2.9Å; L463-M467 PolarHBondContact O-N 3.23Å |
| 464 | T | 93.5 | Very high | 93 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 179.7 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | F388 A460 G461 V462 P468 | F388-T464 HydrophobicContact CB-CG2 3.61Å; A460-T464 VanDerWaalsContact O-CB 3.3Å; A460-T464 WeakPolarHBondContact O-CB 3.41Å; A460-T464 PolarHBondContact O-N 3.41Å; A460-T464 PolarHBondContact O-OG1 2.87Å; G461-T464 PolarHBondContact O-N 3.31Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.94Å; T464-P468 WeakPolarHBondContact O-CD 3.49Å |
| 465 | I | 92.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 28% | 0.282 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -77.1 | -36.9 | 179.7 | -64.4 | 172.5 | 0 | 0 | 0 | 111 | T436 G461 V462 M467 P468 V469 | T436-I465 HydrophobicContact CG2-CD1 4.22Å; G461-I465 WeakPolarHBondContact O-CG1 3.36Å; G461-I465 PolarHBondContact O-N 3.16Å; V462-I465 PolarHBondContact O-N 3.41Å; I465-M467 PolarHBondContact O-N 3.1Å; I465-P468 WeakPolarHBondContact O-CD 3.47Å; I465-V469 HydrophobicContact CG2-CG2 3.77Å; I465-V469 WeakPolarHBondContact O-CB 3.44Å; I465-V469 WeakPolarHBondContact O-CG2 3.49Å; I465-V469 PolarHBondContact O-N 2.82Å |
| 466 | A | 92.3 | Very high | 91.7 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -24.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V462 L463 P470 | V462-A466 WeakPolarHBondContact O-CB 3.47Å; V462-A466 PolarHBondContact O-N 3.23Å; L463-A466 PolarHBondContact O-N 2.9Å; A466-P470 WeakPolarHBondContact O-CD 3.43Å; A466-P470 VanDerWaalsContact O-CG 3.25Å; A466-P470 WeakPolarHBondContact O-CG 3.46Å |
| 467 | M | 87.3 | Confident | 91.1 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 68% | 0.675 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -52.1 | -177.9 | 175.4 | -175.9 | 179.3 | 0 | 0 | 113.4 | L463 I465 | L463-M467 PolarHBondContact O-N 3.23Å; I465-M467 PolarHBondContact O-N 3.1Å |
| 468 | P | 88 | Confident | 90.3 | Very high | 11 Ų | 11 | 59.8 Ų | 59.8 | 7% | 0.071 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -79.8 | -29.6 | -177 | -19.3 | 35.6 | 0 | 0 | 0 | 114.3 | L385 T464 I465 V471 I472 | L385-P468 HydrophobicContact CB-CB 4.06Å; L385-P468 HydrophobicContact CB-CG 4.03Å; L385-P468 HydrophobicContact CD1-CB 4.41Å; L385-P468 HydrophobicContact CD1-CG 3.97Å; T464-P468 WeakPolarHBondContact O-CD 3.49Å; I465-P468 WeakPolarHBondContact O-CD 3.47Å; P468-V471 WeakPolarHBondContact O-CB 3.39Å; P468-V471 PolarHBondContact O-N 3.36Å; P468-I472 HydrophobicContact CB-CD1 4.47Å; P468-I472 WeakPolarHBondContact O-CG1 3.36Å; P468-I472 PolarHBondContact O-N 3.06Å |
| 469 | V | 90.6 | Very high | 89.5 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 35% | 0.352 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | -174.1 | 170.8 | 0 | 0 | 0 | 0 | 112.8 | I465 V471 I472 V473 | I465-V469 HydrophobicContact CG2-CG2 3.77Å; I465-V469 WeakPolarHBondContact O-CB 3.44Å; I465-V469 WeakPolarHBondContact O-CG2 3.49Å; I465-V469 PolarHBondContact O-N 2.82Å; V469-V471 VanDerWaalsContact C-N 3.28Å; V469-V471 PolarHBondContact O-N 3.27Å; V469-I472 PolarHBondContact O-N 2.96Å; V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 VanDerWaalsContact O-CG2 3.32Å; V469-V473 WeakPolarHBondContact O-CG2 3.4Å; V469-V473 PolarHBondContact O-N 3.33Å |
| 470 | P | 90.6 | Very high | 88.9 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -36.3 | 176.5 | -26 | 36 | 0 | 0 | 0 | 113.5 | A466 V473 N474 | A466-P470 WeakPolarHBondContact O-CD 3.43Å; A466-P470 VanDerWaalsContact O-CG 3.25Å; A466-P470 WeakPolarHBondContact O-CG 3.46Å; P470-V473 PolarHBondContact O-N 2.74Å; P470-N474 VanDerWaalsContact O-CB 3.29Å; P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 2.73Å |
| 471 | V | 87.2 | Confident | 88.2 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | E381 P468 V469 V473 N474 N475 | E381-V471 HydrophobicContact CG-CG1 3.9Å; P468-V471 WeakPolarHBondContact O-CB 3.39Å; P468-V471 PolarHBondContact O-N 3.36Å; V469-V471 VanDerWaalsContact C-N 3.28Å; V469-V471 PolarHBondContact O-N 3.27Å; V471-V473 PolarHBondContact O-N 3.02Å; V471-N474 PolarHBondContact O-N 2.58Å; V471-N475 PolarHBondContact O-N 3.48Å |
| 472 | I | 87 | Confident | 87.5 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 177.3 | -64.5 | 164.5 | 0 | 0 | 0 | 111 | E381 F382 P468 V469 N475 F476 | E381-I472 HydrophobicContact CB-CD1 4.43Å; E381-I472 HydrophobicContact CB-CG1 3.92Å; F382-I472 HydrophobicContact CD1-CD1 4.07Å; F382-I472 HydrophobicContact CD2-CD1 4.33Å; F382-I472 HydrophobicContact CE1-CD1 3.91Å; F382-I472 HydrophobicContact CE2-CD1 4.14Å; F382-I472 HydrophobicContact CE2-CG1 4.32Å; F382-I472 HydrophobicContact CE2-CG2 3.81Å; F382-I472 HydrophobicContact CG-CD1 4.27Å; F382-I472 HydrophobicContact CZ-CD1 3.94Å; F382-I472 HydrophobicContact CZ-CG1 4.46Å; F382-I472 HydrophobicContact CZ-CG2 3.67Å; P468-I472 HydrophobicContact CB-CD1 4.47Å; P468-I472 WeakPolarHBondContact O-CG1 3.36Å; P468-I472 PolarHBondContact O-N 3.06Å; V469-I472 PolarHBondContact O-N 2.96Å; I472-N475 PolarHBondContact O-N 3.26Å; I472-F476 WeakPolarHBondContact O-CB 3.31Å; I472-F476 PolarHBondContact O-N 3.06Å |
| 473 | V | 89 | Confident | 86.6 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | V469 P470 V471 F476 G477 | V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 VanDerWaalsContact O-CG2 3.32Å; V469-V473 WeakPolarHBondContact O-CG2 3.4Å; V469-V473 PolarHBondContact O-N 3.33Å; P470-V473 PolarHBondContact O-N 2.74Å; V471-V473 PolarHBondContact O-N 3.02Å; V473-F476 PolarHBondContact O-N 3.29Å; V473-G477 PolarHBondContact O-N 2.76Å |
| 474 | N | 87.2 | Confident | 85.9 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.2 | -174.4 | 58.4 | 0 | 0 | 0 | 111.2 | P470 V471 F476 G477 M478 | P470-N474 VanDerWaalsContact O-CB 3.29Å; P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 2.73Å; V471-N474 PolarHBondContact O-N 2.58Å; N474-F476 VanDerWaalsContact C-N 3.34Å; N474-F476 PolarHBondContact O-N 3.21Å; N474-G477 PolarHBondContact O-N 3.45Å; N474-M478 WeakPolarHBondContact O-CG 3.26Å; N474-M478 PolarHBondContact O-N 3.13Å |
| 475 | N | 83.3 | Confident | 85.2 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 173.2 | -73.6 | -10.5 | 0 | 0 | 0 | 110.3 | S378 E381 V471 I472 G477 M478 Y479 | S378-N475 PolarHBondContact OG-ND2 3.16Å; E381-N475 PolarHBondContact OE1-ND2 3.4Å; E381-N475 VanDerWaalsContact OE1-ND2 3.13Å; V471-N475 PolarHBondContact O-N 3.48Å; I472-N475 PolarHBondContact O-N 3.26Å; N475-G477 VanDerWaalsContact C-N 3.34Å; N475-G477 PolarHBondContact O-N 2.72Å; N475-M478 WeakPolarHBondContact O-CB 3.35Å; N475-M478 PolarHBondContact O-N 3.3Å; N475-M478 VanDerWaalsContact O-N 3.14Å; N475-Y479 HydrophobicContact CB-CD2 4.49Å; N475-Y479 WeakPolarHBondContact O-CD2 3.49Å; N475-Y479 PolarHBondContact O-N 3.12Å |
| 476 | F | 83.8 | Confident | 84.3 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 177 | -177.9 | -94.5 | 0 | 0 | 0 | 113 | L371 T374 I472 V473 N474 M478 Y479 Y480 | L371-F476 HydrophobicContact CB-CE2 4.28Å; L371-F476 HydrophobicContact CD1-CD2 4.04Å; L371-F476 HydrophobicContact CD1-CE2 3.77Å; T374-F476 VanDerWaalsContact CG2-CA 3.47Å; T374-F476 HydrophobicContact CG2-CB 3.84Å; T374-F476 HydrophobicContact CG2-CD2 3.96Å; T374-F476 HydrophobicContact CG2-CG 4.38Å; I472-F476 WeakPolarHBondContact O-CB 3.31Å; I472-F476 PolarHBondContact O-N 3.06Å; V473-F476 PolarHBondContact O-N 3.29Å; N474-F476 VanDerWaalsContact C-N 3.34Å; N474-F476 PolarHBondContact O-N 3.21Å; F476-M478 VanDerWaalsContact C-N 3.34Å; F476-M478 PolarHBondContact O-N 3.13Å; F476-Y479 PolarHBondContact O-N 2.9Å; F476-Y480 HydrophobicContact CZ-CD2 4.35Å; F476-Y480 WeakPolarHBondContact O-CB 3.19Å; F476-Y480 PolarHBondContact O-N 2.95Å |
| 477 | G | 85.5 | Confident | 83.2 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 38% | 0.381 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V473 N474 N475 S481 | V473-G477 PolarHBondContact O-N 2.76Å; N474-G477 PolarHBondContact O-N 3.45Å; N475-G477 VanDerWaalsContact C-N 3.34Å; N475-G477 PolarHBondContact O-N 2.72Å; G477-S481 WeakPolarHBondContact O-CB 3.45Å; G477-S481 PolarHBondContact O-N 3.28Å; G477-S481 PolarHBondContact O-OG 3.26Å |
| 478 | M | 81.1 | Confident | 82.5 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -56.9 | 176.7 | -68 | -56.7 | -63.3 | 0 | 0 | 111.7 | N474 N475 F476 Y480 S481 L482 L578 | N474-M478 WeakPolarHBondContact O-CG 3.26Å; N474-M478 PolarHBondContact O-N 3.13Å; N475-M478 WeakPolarHBondContact O-CB 3.35Å; N475-M478 PolarHBondContact O-N 3.3Å; N475-M478 VanDerWaalsContact O-N 3.14Å; F476-M478 VanDerWaalsContact C-N 3.34Å; F476-M478 PolarHBondContact O-N 3.13Å; M478-Y480 VanDerWaalsContact C-N 3.31Å; M478-Y480 PolarHBondContact O-N 2.95Å; M478-S481 PolarHBondContact O-N 3.44Å; M478-S481 PolarHBondContact O-OG 3.44Å; M478-L482 WeakPolarHBondContact O-CG 3.38Å; M478-L482 PolarHBondContact O-N 3.09Å; M478-L578 HydrophobicContact CE-CD1 3.73Å; M478-L578 HydrophobicContact CE-CD2 4.25Å; M478-L578 HydrophobicContact CE-CG 4.48Å |
| 479 | Y | 80.8 | Confident | 81.5 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | -179.5 | -79.1 | -81.7 | 0 | 0 | 0 | 112.6 | A165 F169 T374 A377 N475 F476 A483 | A165-Y479 HydrophobicContact CB-CD1 3.67Å; A165-Y479 HydrophobicContact CB-CE1 3.15Å; F169-Y479 HydrophobicContact CE2-CD1 4.02Å; F169-Y479 HydrophobicContact CZ-CD1 4.18Å; T374-Y479 HydrophobicContact CG2-CD2 4.07Å; T374-Y479 VanDerWaalsContact OG1-CB 3.29Å; T374-Y479 WeakPolarHBondContact OG1-CB 3.47Å; A377-Y479 HydrophobicContact CB-CE1 4.25Å; A377-Y479 HydrophobicContact CB-CE2 3.81Å; A377-Y479 WeakPolarHBondContact CB-OH 3.47Å; N475-Y479 HydrophobicContact CB-CD2 4.49Å; N475-Y479 WeakPolarHBondContact O-CD2 3.49Å; N475-Y479 PolarHBondContact O-N 3.12Å; F476-Y479 PolarHBondContact O-N 2.9Å; Y479-A483 WeakPolarHBondContact O-CB 3.34Å; Y479-A483 PolarHBondContact O-N 3.11Å |
| 480 | Y | 82.4 | Confident | 80 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 42% | 0.42 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 175.8 | -177.4 | -97.4 | 0 | 0 | 0 | 111.8 | V370 F476 M478 L482 A483 M484 | V370-Y480 HydrophobicContact CG1-CD2 4.38Å; F476-Y480 HydrophobicContact CZ-CD2 4.35Å; F476-Y480 WeakPolarHBondContact O-CB 3.19Å; F476-Y480 PolarHBondContact O-N 2.95Å; M478-Y480 VanDerWaalsContact C-N 3.31Å; M478-Y480 PolarHBondContact O-N 2.95Å; Y480-L482 VanDerWaalsContact C-N 3.33Å; Y480-L482 PolarHBondContact O-N 3.22Å; Y480-A483 PolarHBondContact O-N 3.17Å; Y480-M484 HydrophobicContact CD1-CG 4.04Å; Y480-M484 HydrophobicContact CE1-CG 3.66Å; Y480-M484 HydrophobicContact CE1-SD 4.48Å; Y480-M484 HydrophobicContact CE2-CE 4.13Å; Y480-M484 HydrophobicContact CE2-CG 4.19Å; Y480-M484 HydrophobicContact CE2-SD 4.33Å; Y480-M484 HydrophobicContact CG-CG 4.46Å; Y480-M484 WeakPolarHBondContact O-CB 3.27Å; Y480-M484 VanDerWaalsContact O-CG 3.26Å; Y480-M484 WeakPolarHBondContact O-CG 3.01Å; Y480-M484 PolarHBondContact O-N 2.59Å |
| 481 | S | 83.8 | Confident | 78.4 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 178.6 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | G477 M478 M484 A485 | G477-S481 WeakPolarHBondContact O-CB 3.45Å; G477-S481 PolarHBondContact O-N 3.28Å; G477-S481 PolarHBondContact O-OG 3.26Å; M478-S481 PolarHBondContact O-N 3.44Å; M478-S481 PolarHBondContact O-OG 3.44Å; S481-M484 PolarHBondContact O-N 3.13Å; S481-A485 VanDerWaalsContact O-CB 3.29Å; S481-A485 WeakPolarHBondContact O-CB 3.44Å; S481-A485 PolarHBondContact O-N 3.03Å |
| 482 | L | 80.6 | Confident | 76.7 | Confident | 6 Ų | 6 | 75.5 Ų | 75.5 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 177 | -70 | 172.7 | 0 | 0 | 0 | 111.7 | A162 A165 L166 M478 Y480 M484 A485 K486 | A162-L482 HydrophobicContact CB-CD1 3.8Å; A162-L482 HydrophobicContact CB-CD2 3.81Å; A162-L482 HydrophobicContact CB-CG 4.48Å; A165-L482 HydrophobicContact CB-CD1 4.02Å; L166-L482 HydrophobicContact CD1-CD2 4.34Å; L166-L482 HydrophobicContact CD2-CB 3.71Å; L166-L482 HydrophobicContact CG-CB 4.23Å; M478-L482 WeakPolarHBondContact O-CG 3.38Å; M478-L482 PolarHBondContact O-N 3.09Å; Y480-L482 VanDerWaalsContact C-N 3.33Å; Y480-L482 PolarHBondContact O-N 3.22Å; L482-M484 PolarHBondContact O-N 2.93Å; L482-A485 PolarHBondContact O-N 3.32Å; L482-K486 PolarHBondContact O-N 2.85Å |
| 483 | A | 76.3 | Confident | 74.7 | Confident | 9 Ų | 9 | 85.4 Ų | 85.4 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F169 V370 Y479 Y480 K486 Q487 | F169-A483 HydrophobicContact CE2-CB 4.35Å; F169-A483 HydrophobicContact CZ-CB 4.42Å; V370-A483 HydrophobicContact CG1-CB 4.39Å; V370-A483 HydrophobicContact CG2-CB 3.55Å; Y479-A483 WeakPolarHBondContact O-CB 3.34Å; Y479-A483 PolarHBondContact O-N 3.11Å; Y480-A483 PolarHBondContact O-N 3.17Å; A483-K486 PolarHBondContact O-N 2.82Å; A483-Q487 WeakPolarHBondContact O-CG 3.33Å; A483-Q487 PolarHBondContact O-N 3.09Å; A483-Q487 VanDerWaalsContact O-N 3.16Å |
| 484 | M | 80.2 | Confident | 72.5 | Confident | 39 Ų | 39 | 89.3 Ų | 89.3 | 19% | 0.192 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 176.4 | -68.8 | -59.6 | 104.6 | 0 | 0 | 112.5 | Y480 S481 L482 Q487 K488 | Y480-M484 HydrophobicContact CD1-CG 4.04Å; Y480-M484 HydrophobicContact CE1-CG 3.66Å; Y480-M484 HydrophobicContact CE1-SD 4.48Å; Y480-M484 HydrophobicContact CE2-CE 4.13Å; Y480-M484 HydrophobicContact CE2-CG 4.19Å; Y480-M484 HydrophobicContact CE2-SD 4.33Å; Y480-M484 HydrophobicContact CG-CG 4.46Å; Y480-M484 WeakPolarHBondContact O-CB 3.27Å; Y480-M484 VanDerWaalsContact O-CG 3.26Å; Y480-M484 WeakPolarHBondContact O-CG 3.01Å; Y480-M484 PolarHBondContact O-N 2.59Å; S481-M484 PolarHBondContact O-N 3.13Å; L482-M484 PolarHBondContact O-N 2.93Å; M484-Q487 VanDerWaalsContact CE-OE1 3.27Å; M484-Q487 PolarHBondContact O-N 3.2Å; M484-K488 WeakPolarHBondContact O-CG 3.34Å; M484-K488 PolarHBondContact O-N 3.37Å; M484-K488 VanDerWaalsContact O-N 3.15Å |
| 485 | A | 79.9 | Confident | 70.4 | Confident | 29 Ų | 29 | 94.1 Ų | 94.1 | 24% | 0.24 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | S481 L482 Q487 K488 L489 F576 | S481-A485 VanDerWaalsContact O-CB 3.29Å; S481-A485 WeakPolarHBondContact O-CB 3.44Å; S481-A485 PolarHBondContact O-N 3.03Å; L482-A485 PolarHBondContact O-N 3.32Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 3.38Å; A485-K488 PolarHBondContact O-N 2.88Å; A485-L489 WeakPolarHBondContact O-CG 3.29Å; A485-L489 PolarHBondContact O-N 2.73Å; A485-L489 VanDerWaalsContact O-N 3.14Å; A485-F576 HydrophobicContact CB-CE1 3.79Å; A485-F576 HydrophobicContact CB-CZ 4.26Å |
| 486 | K | 72.4 | Confident | 68.5 | Low | 64 Ų | 64 | 99.8 Ų | 99.8 | 28% | 0.278 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 173.1 | -87.2 | -158.6 | 175.9 | 179.5 | 0 | 112.8 | L166 E170 L482 A483 K488 | L166-K486 HydrophobicContact CB-CD 4.49Å; L166-K486 VanDerWaalsContact CB-CE 3.42Å; L166-K486 VanDerWaalsContact CB-NZ 3.35Å; L166-K486 HydrophobicContact CD1-CD 4.42Å; L166-K486 HydrophobicContact CD1-CG 4.28Å; L166-K486 HydrophobicContact CD2-CD 3.48Å; L166-K486 VanDerWaalsContact CD2-CD 3.48Å; L166-K486 HydrophobicContact CD2-CG 3.66Å; L166-K486 HydrophobicContact CG-CD 4.28Å; L166-K486 PolarHBondContact O-NZ 2.66Å; E170-K486 IonicContact OE1-NZ 3.87Å; E170-K486 PolarHBondContact OE1-NZ 2.86Å; L482-K486 PolarHBondContact O-N 2.85Å; A483-K486 PolarHBondContact O-N 2.82Å; K486-K488 VanDerWaalsContact C-N 3.33Å; K486-K488 PolarHBondContact O-N 2.68Å |
| 487 | Q | 69.2 | Low | 66.8 | Low | 102 Ų | 102 | 103.5 Ų | 103.5 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -31.1 | 179.7 | -73.7 | -175.1 | -20.2 | 0 | 0 | 113.8 | A483 M484 A485 | A483-Q487 WeakPolarHBondContact O-CG 3.33Å; A483-Q487 PolarHBondContact O-N 3.09Å; A483-Q487 VanDerWaalsContact O-N 3.16Å; M484-Q487 VanDerWaalsContact CE-OE1 3.27Å; M484-Q487 PolarHBondContact O-N 3.2Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 3.38Å |
| 488 | K | 73.9 | Confident | 64.9 | Low | 173 Ų | 173 | 106.3 Ų | 106.3 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -85 | -19.3 | -178.6 | -71.1 | 177.7 | -178.9 | 178.9 | 0 | 113.4 | M484 A485 K486 P490 | M484-K488 WeakPolarHBondContact O-CG 3.34Å; M484-K488 PolarHBondContact O-N 3.37Å; M484-K488 VanDerWaalsContact O-N 3.15Å; A485-K488 PolarHBondContact O-N 2.88Å; K486-K488 VanDerWaalsContact C-N 3.33Å; K486-K488 PolarHBondContact O-N 2.68Å; K488-P490 WeakPolarHBondContact O-CD 3.32Å |
| 489 | L | 67.2 | Low | 63 | Low | 73 Ų | 73 | 108.3 Ų | 108.3 | 38% | 0.382 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -66.9 | 122.6 | 178.1 | -80.9 | 164.8 | 0 | 0 | 0 | 109.9 | A485 R491 T574 F576 | A485-L489 WeakPolarHBondContact O-CG 3.29Å; A485-L489 PolarHBondContact O-N 2.73Å; A485-L489 VanDerWaalsContact O-N 3.14Å; L489-R491 PolarHBondContact O-N 2.95Å; L489-T574 HydrophobicContact CD1-CG2 4.25Å; L489-F576 HydrophobicContact CD1-CE1 4.17Å; L489-F576 HydrophobicContact CD1-CZ 3.63Å |
| 490 | P | 58.4 | Low | 61.2 | Low | 108 Ų | 108 | 110.2 Ų | 110.2 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | trans | -60.5 | 126.8 | 172.7 | 25.1 | -31.6 | 0 | 0 | 0 | 108.2 | K488 K492 | K488-P490 WeakPolarHBondContact O-CD 3.32Å; P490-K492 PolarHBondContact O-N 3.4Å | ||
| 491 | R | 57.5 | Low | 59.3 | Low | 210 Ų | 210 | 111.2 Ų | 111.2 | 79% | 0.792 | 56% | 0.559 | S | S | * | * | trans | -52.5 | 113.3 | 172.1 | -65.9 | 178.1 | 95.2 | 153.3 | 3.4 | 107 | L489 R493 | L489-R491 PolarHBondContact O-N 2.95Å; R491-R493 PolarHBondContact O-N 3.04Å | ||
| 492 | K | 52.2 | Low | 57.2 | Low | 164 Ų | 164 | 117.3 Ų | 117.3 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | trans | -58.4 | 103.3 | 180 | -83.7 | -176.2 | 178 | 173.2 | 0 | 107.6 | P490 K494 | P490-K492 PolarHBondContact O-N 3.4Å; K492-K494 PolarHBondContact O-N 2.94Å; K492-K494 VanDerWaalsContact O-N 3.1Å | ||
| 493 | R | 44 | Very low | 55 | Low | 230 Ų | 230 | 122.2 Ų | 122.2 | 87% | 0.868 | 62% | 0.624 | S | S | * | * | trans | -59.6 | 114.6 | 161.3 | -83.7 | -178.4 | 164.5 | -176.8 | -5.7 | 105.8 | R491 K495 | R491-R493 PolarHBondContact O-N 3.04Å; R493-K495 PolarHBondContact O-N 3.44Å | ||
| 494 | K | 42.9 | Very low | 53 | Low | 171 Ų | 171 | 126.3 Ų | 126.3 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | trans | -63.2 | 74.8 | 169.5 | -69.2 | 175.5 | -171.8 | 155.1 | 0 | 108.9 | D181 K492 H496 | D181-K494 IonicContact OD2-NZ 2.74Å; D181-K494 PolarHBondContact OD2-NZ 3.19Å; K492-K494 PolarHBondContact O-N 2.94Å; K492-K494 VanDerWaalsContact O-N 3.1Å; K494-H496 VanDerWaalsContact C-N 3.31Å; K494-H496 PolarHBondContact O-N 3.03Å; K494-H496 VanDerWaalsContact O-N 3.14Å | ||
| 495 | K | 42.3 | Very low | 50.8 | Low | 184 Ų | 184 | 129 Ų | 129 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -76.3 | 97.1 | 157.7 | -94.1 | -171.5 | 173.6 | -173.6 | 0 | 105.7 | R493 I497 | R493-K495 PolarHBondContact O-N 3.44Å; K495-I497 PolarHBondContact O-N 3.14Å | ||
| 496 | H | 45 | Very low | 48.6 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 72% | 0.718 | 71% | 0.705 | S | S | * | * | trans | -49.2 | 98.4 | 166.4 | -165.9 | -86 | 0 | 0 | 0 | 108.2 | K494 P498 | K494-H496 VanDerWaalsContact C-N 3.31Å; K494-H496 PolarHBondContact O-N 3.03Å; K494-H496 VanDerWaalsContact O-N 3.14Å; H496-P498 WeakPolarHBondContact O-CD 3.4Å | ||
| 497 | I | 47.7 | Very low | 47 | Very low | 150 Ų | 150 | 137 Ų | 137 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.6 | 163.4 | -59.6 | 172.5 | 0 | 0 | 0 | 104.1 | K495 | K495-I497 PolarHBondContact O-N 3.14Š|
| 498 | P | 45.4 | Very low | 45 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 136 | 175.8 | -19.4 | 30.5 | 0 | 0 | 0 | 108.9 | H496 A500 | H496-P498 WeakPolarHBondContact O-CD 3.4Å; P498-A500 PolarHBondContact O-N 2.88Å |
| 499 | P | 40.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.7 | 170 | -20.1 | 30.2 | 0 | 0 | 0 | 108.9 | ||
| 500 | A | 43.9 | Very low | 41.5 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109 | P498 Q502 | P498-A500 PolarHBondContact O-N 2.88Å; A500-Q502 PolarHBondContact O-N 3.15Å |
| 501 | P | 42.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 118.3 | 178.3 | 22.3 | -29.6 | 0 | 0 | 0 | 108.7 | A503 | P501-A503 PolarHBondContact O-N 3.11Å; P501-A503 VanDerWaalsContact O-N 3.1Å |
| 502 | Q | 39.4 | Very low | 39.4 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -59.9 | 114.5 | 172.7 | -72 | -179.1 | -4.3 | 0 | 0 | 108.2 | A500 S504 | A500-Q502 PolarHBondContact O-N 3.15Å; Q502-S504 PolarHBondContact O-N 2.69Å | ||
| 503 | A | 33.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | -78.1 | 98.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | P501 | P501-A503 PolarHBondContact O-N 3.11Å; P501-A503 VanDerWaalsContact O-N 3.1Å | ||
| 504 | S | 34.5 | Very low | 38.2 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | -155.8 | 130.9 | 163.6 | 54.2 | 0 | 0 | 0 | 0 | 106.7 | Q502 | Q502-S504 PolarHBondContact O-N 2.69Š| ||
| 505 | S | 34.1 | Very low | 37.9 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | -156.3 | 150.7 | -7.8 | -80.2 | 0 | 0 | 0 | 0 | 104.5 | T507 | S505-T507 PolarHBondContact O-N 2.81Š| ||
| 506 | P | 33.4 | Very low | 37.6 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -73.7 | 104.9 | -179.7 | 29.6 | -29.9 | 0 | 0 | 0 | 109.2 | F508 | P506-F508 PolarHBondContact O-N 3.41Š| ||
| 507 | T | 39.1 | Very low | 36.9 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -87.6 | 106.6 | 170.6 | -46.4 | 0 | 0 | 0 | 0 | 108.1 | S505 C509 | S505-T507 PolarHBondContact O-N 2.81Å; T507-C509 PolarHBondContact O-N 3.18Å | ||
| 508 | F | 28.5 | Very low | 36.2 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | trans | -65.8 | 109.7 | 171.5 | -177.1 | -92.1 | 0 | 0 | 0 | 109.7 | P506 K510 | P506-F508 PolarHBondContact O-N 3.41Å; F508-K510 HydrophobicContact CE1-CD 4.43Å; F508-K510 HydrophobicContact CE1-CG 4.26Å; F508-K510 HydrophobicContact CZ-CG 4.42Å | ||
| 509 | C | 33.8 | Very low | 35.7 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -128.7 | 105.2 | 160.9 | -80 | 0 | 0 | 0 | 0 | 108.8 | T507 | T507-C509 PolarHBondContact O-N 3.18Š| ||
| 510 | K | 32.2 | Very low | 35.3 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | trans | -41.6 | 142.2 | 152.2 | -89.9 | 168.4 | 166.2 | 166.3 | 0 | 109.2 | F508 | F508-K510 HydrophobicContact CE1-CD 4.43Å; F508-K510 HydrophobicContact CE1-CG 4.26Å; F508-K510 HydrophobicContact CZ-CG 4.42Å | ||
| 511 | T | 35.6 | Very low | 34.7 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | 168.1 | 120.5 | 123.7 | -72 | 0 | 0 | 0 | 0 | 110 | |||||
| 512 | E | 37.5 | Very low | 34.1 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 83.7 | 101.6 | 156 | -52 | -101.5 | 113.9 | 0 | 0 | 119.5 | ||||
| 513 | L | 34.8 | Very low | 33.9 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -53.5 | 128.1 | 145 | -81.5 | 84.6 | 0 | 0 | 0 | 109.6 | ||||
| 514 | N | 35.4 | Very low | 33.7 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | -172.7 | 115.3 | 123.4 | -99.4 | -17.3 | 0 | 0 | 0 | 112.4 | |||||
| 515 | M | 36.1 | Very low | 33.4 | Very low | 170 Ų | 170 | 136 Ų | 136 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | 55.1 | 114.4 | 127.3 | -124.7 | 170.4 | -88.7 | 0 | 0 | 120.8 | |||||
| 516 | A | 36.7 | Very low | 33.2 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 72 | 105.2 | 132.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 517 | C | 29.9 | Very low | 33.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | 31.9 | 124 | 126.5 | -60.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 518 | N | 33 | Very low | 32.8 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 125.3 | 128.5 | 123.8 | -80.6 | -6.6 | 0 | 0 | 0 | 117.9 | |||||
| 519 | S | 35.7 | Very low | 32.9 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | 74.5 | 105.1 | 138.6 | 55.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 520 | T | 31.4 | Very low | 32.8 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 54.1 | 133.9 | 126.5 | 43.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 521 | Q | 32.7 | Very low | 32.6 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 104 | 119.8 | 139.6 | -107.7 | 173.7 | 31.3 | 0 | 0 | 118.8 | ||||
| 522 | S | 29.8 | Very low | 32.4 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 62% | 0.622 | 82% | 0.816 | S | S | * | * | trans | 57.6 | 114.4 | 140.8 | 57.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 523 | D | 33.8 | Very low | 32 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | 176.9 | 152 | 94.7 | -92.5 | -34.1 | 0 | 0 | 0 | 113.2 | |||||
| 524 | T | 28.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -94.1 | 133.8 | -177.1 | -46.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 525 | C | 30.1 | Very low | 31.8 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 91% | 0.905 | 81% | 0.814 | S | S | * | * | trans | -152.6 | 130.5 | 158.9 | -95 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 526 | L | 28.2 | Very low | 31.6 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -58.3 | 154.4 | 172.3 | -92.4 | 103.4 | 0 | 0 | 0 | 114 | ||||
| 527 | G | 32.4 | Very low | 31.3 | Very low | 74 Ų | 74 | 154 Ų | 154 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 163.6 | 102.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 528 | K | 32.5 | Very low | 31.4 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | 91.6 | 110.6 | 130.1 | -127.8 | 164.5 | -176.1 | 170.4 | 0 | 121.1 | ||||
| 529 | D | 29.8 | Very low | 31.3 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -3.1 | 139.3 | 150 | -61.4 | -61.4 | 0 | 0 | 0 | 121 | ||||
| 530 | N | 32.7 | Very low | 31.3 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -144.8 | 113.5 | 141.3 | -117.3 | -3.3 | 0 | 0 | 0 | 110.3 | ||||
| 531 | R | 26.9 | Very low | 31.3 | Very low | 243 Ų | 243 | 154.6 Ų | 154.6 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -92.2 | 136 | 165.7 | -85.9 | -175.5 | 171.3 | -175.7 | -2.1 | 108.8 | ||||
| 532 | L | 33.2 | Very low | 31.4 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -136 | 140.4 | 161.3 | -143.4 | 151.2 | 0 | 0 | 0 | 109 | ||||
| 533 | L | 27.9 | Very low | 31.6 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | trans | -127.7 | 132.9 | -153.4 | -166.3 | 162.7 | 0 | 0 | 0 | 107.9 | ||||
| 534 | E | 32.6 | Very low | 31.6 | Very low | 187 Ų | 187 | 151.7 Ų | 151.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -162 | 159.1 | 167.5 | -109.8 | -175.2 | 143.3 | 0 | 0 | 109.8 | ||||
| 535 | H | 34.1 | Very low | 31.9 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 70% | 0.704 | 81% | 0.81 | S | S | * | * | -152 | 133.1 | -76.7 | 175 | -89 | 0 | 0 | 0 | 107.2 | |||||
| 536 | N | 30.5 | Very low | 32 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | trans | 25.4 | 138.4 | 157.1 | -63.9 | -39.8 | 0 | 0 | 0 | 124.4 | ||||
| 537 | R | 32.4 | Very low | 32.2 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | -168 | 130.4 | 121.5 | -114.3 | 177.3 | 165.4 | 135.7 | -2.8 | 114.8 | |||||
| 538 | S | 30.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -148.7 | 131.5 | 165.8 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 539 | V | 32.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -157.1 | 122 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 540 | L | 34.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | 63.1 | 144.6 | 144.9 | -58.4 | 164.4 | 0 | 0 | 0 | 121.4 | ||||
| 541 | S | 31.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | 123.7 | 136.8 | 2.2 | -80.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 542 | G | 34.6 | Very low | 33.2 | Very low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 112 | 108 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 543 | D | 35.3 | Very low | 33.2 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | 69 | 139.1 | 89.8 | -62 | -27.5 | 0 | 0 | 0 | 112.7 | |||||
| 544 | D | 34.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | cis | -172.2 | 154.3 | 25.1 | -140.4 | -26.3 | 0 | 0 | 0 | 112 | ||||
| 545 | S | 35 | Very low | 33.7 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | 57.9 | 129.1 | 139.8 | -67.9 | 0 | 0 | 0 | 0 | 128.7 | ||||
| 546 | T | 32.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | 81.6 | 118.7 | 134.4 | 48.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 547 | G | 31.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | 117.2 | 114.8 | 116.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 548 | S | 35.2 | Very low | 33.3 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | 106.6 | 139.8 | 142.5 | -37.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 549 | E | 33.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -79 | 172.9 | -159.6 | -85.5 | -173.1 | 108.5 | 0 | 0 | 119.5 | ||||
| 550 | P | 37 | Very low | 33 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -105 | -175.1 | -165.2 | 44.3 | -34.6 | 0 | 0 | 0 | 113.8 | ||||
| 551 | P | 36 | Very low | 32.7 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | -160.4 | 165.4 | 84.6 | 41.5 | -19.3 | 0 | 0 | 0 | 119.9 | |||||
| 552 | L | 33.4 | Very low | 32.4 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | 65.4 | 105.8 | 143.1 | -73.2 | 153.5 | 0 | 0 | 0 | 123.4 | ||||
| 553 | S | 33 | Very low | 32.1 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -178.4 | 153.2 | 133.2 | 38.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 554 | P | 36.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 153.5 | -150.6 | 31.9 | -33.3 | 0 | 0 | 0 | 114.9 | ||
| 555 | P | 33.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -88 | 128.4 | -171 | 33.7 | -30.7 | 0 | 0 | 0 | 112.7 | R557 | P555-R557 PolarHBondContact O-N 3Š|
| 556 | E | 31.1 | Very low | 31.1 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.9 | 153.9 | -83.7 | -179.5 | 113.1 | 0 | 0 | 109 | L558 | E556-L558 PolarHBondContact O-N 2.84Š|
| 557 | R | 30.8 | Very low | 30.9 | Very low | 246 Ų | 246 | 148.3 Ų | 148.3 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -73 | 91.4 | 172.8 | -76.2 | -177.1 | -176.9 | 176.6 | 1.9 | 109.7 | P555 | P555-R557 PolarHBondContact O-N 3Š| ||
| 558 | L | 27.6 | Very low | 30.9 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -76 | 123.3 | 153.8 | -83.8 | 152.6 | 0 | 0 | 0 | 108.6 | E556 I560 | E556-L558 PolarHBondContact O-N 2.84Å; L558-I560 PolarHBondContact O-N 2.99Å | ||
| 559 | P | 30 | Very low | 30.6 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 113.6 | 173.1 | 27.4 | -28 | 0 | 0 | 0 | 108.8 | R561 | P559-R561 VanDerWaalsContact C-N 3.35Å; P559-R561 PolarHBondContact O-N 2.99Å | ||
| 560 | I | 27.2 | Very low | 30.5 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -59.7 | 97.1 | 168.4 | -67.3 | 169.1 | 0 | 0 | 0 | 107.8 | L558 R562 | L558-I560 PolarHBondContact O-N 2.99Å; I560-R562 HydrophobicContact CG2-CG 4.31Å; I560-R562 PolarHBondContact O-N 2.88Å | ||
| 561 | R | 27.4 | Very low | 30.4 | Very low | 211 Ų | 211 | 162.4 Ų | 162.4 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | -81.4 | 87.9 | 171.3 | -153.8 | -177.7 | -160.2 | -157.7 | 6.4 | 108 | P559 S563 | P559-R561 VanDerWaalsContact C-N 3.35Å; P559-R561 PolarHBondContact O-N 2.99Å; R561-S563 PolarHBondContact O-N 3.13Å | ||
| 562 | R | 25.1 | Very low | 30.4 | Very low | 232 Ų | 232 | 160.3 Ų | 160.3 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 81.9 | 158.8 | -85.3 | -175.6 | 177.1 | 173.5 | -0.3 | 107.9 | I560 S564 | I560-R562 HydrophobicContact CG2-CG 4.31Å; I560-R562 PolarHBondContact O-N 2.88Å; R562-S564 PolarHBondContact O-N 3.37Å; R562-S564 VanDerWaalsContact O-N 3.17Å | ||
| 563 | S | 27.3 | Very low | 31.1 | Very low | 82 Ų | 82 | 157.6 Ų | 157.6 | 57% | 0.573 | 78% | 0.783 | S | S | * | * | trans | -72.1 | 101.2 | 163.3 | 52.5 | 0 | 0 | 0 | 0 | 108 | R561 T565 | R561-S563 PolarHBondContact O-N 3.13Å; S563-T565 PolarHBondContact O-N 3.34Å | ||
| 564 | S | 27.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -65.5 | 87.8 | 161.6 | 164 | 0 | 0 | 0 | 0 | 108.1 | R562 R566 | R562-S564 PolarHBondContact O-N 3.37Å; R562-S564 VanDerWaalsContact O-N 3.17Å; S564-R566 VanDerWaalsContact C-N 3.33Å; S564-R566 PolarHBondContact O-N 3.32Å | ||
| 565 | T | 27.5 | Very low | 32.7 | Very low | 132 Ų | 132 | 152.2 Ų | 152.2 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -70.8 | 91.4 | 164.2 | 45.7 | 0 | 0 | 0 | 0 | 108 | S563 | S563-T565 PolarHBondContact O-N 3.34Š| ||
| 566 | R | 28.7 | Very low | 33.7 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -137.1 | 106.1 | 168.6 | -154.4 | 173.8 | -176.9 | 164.1 | 1.6 | 108.9 | S564 | S564-R566 VanDerWaalsContact C-N 3.33Å; S564-R566 PolarHBondContact O-N 3.32Å | ||
| 567 | D | 28.1 | Very low | 34.7 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | 46 | 72.9 | 162.3 | -72.8 | -57 | 0 | 0 | 0 | 117.6 | N569 | D567-N569 PolarHBondContact O-N 3.39Š| ||
| 568 | K | 30.9 | Very low | 35.8 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | -90.9 | 77.4 | 152.3 | -93.4 | -173.9 | 173.3 | -175.7 | 0 | 108.4 | ||||
| 569 | N | 29.1 | Very low | 36.7 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -106.1 | 118.7 | 168.3 | -133 | -14.2 | 0 | 0 | 0 | 108.3 | D567 | D567-N569 PolarHBondContact O-N 3.39Š| ||
| 570 | R | 31.1 | Very low | 37.3 | Very low | 238 Ų | 238 | 133.4 Ų | 133.4 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | trans | 67.4 | 63 | 172.8 | -66.6 | -178.8 | 164.4 | 174.7 | -3.1 | 119 | ||||
| 571 | R | 35.8 | Very low | 37.7 | Very low | 228 Ų | 228 | 128.6 Ų | 128.6 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | trans | -113 | 114.5 | 148.6 | -78.1 | -170.1 | -173.7 | -154.7 | 1.9 | 108.3 | E573 | R571-E573 PolarHBondContact O-N 2.96Š| ||
| 572 | G | 36.9 | Very low | 37.9 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | trans | -68.4 | 103.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 573 | E | 47.9 | Very low | 38.3 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 51% | 0.505 | 65% | 0.647 | S | S | . | * | trans | -57.5 | 138.4 | 174.7 | -75.3 | 159.8 | 179.6 | 0 | 0 | 110.1 | R571 | R571-E573 PolarHBondContact O-N 2.96Š| ||
| 574 | T | 53.7 | Low | 38.4 | Very low | 62 Ų | 62 | 127.1 Ų | 127.1 | 38% | 0.38 | 66% | 0.66 | S | S | . | * | trans | -87.3 | 109.8 | 177.1 | 46.8 | 0 | 0 | 0 | 0 | 108.5 | L489 F576 | L489-T574 HydrophobicContact CD1-CG2 4.25Å; T574-F576 WeakPolarHBondContact O-CD2 3.4Å; T574-F576 PolarHBondContact O-N 3.5Å; T574-F576 VanDerWaalsContact OG1-CE2 3.3Å; T574-F576 WeakPolarHBondContact OG1-CE2 3.26Å | ||
| 575 | C | 49.9 | Very low | 38.5 | Very low | 65 Ų | 65 | 128 Ų | 128 | 44% | 0.439 | 66% | 0.664 | S | S | . | * | trans | -65.2 | 118.9 | 173 | -95.6 | 0 | 0 | 0 | 0 | 111.2 | C130 | C130-C575 HydrophobicContact CB-CB 3.66Å; C130-C575 WeakPolarHBondContact CB-SG 3.34Å; C130-C575 WeakPolarHBondContact SG-CB 3.29Å; C130-C575 CovalentContact SG-SG 2.06Å; C130-C575 PolarHBondContact SG-SG 2.82Å | ||
| 576 | F | 54.4 | Low | 38.5 | Very low | 61 Ų | 61 | 126.8 Ų | 126.8 | 27% | 0.268 | 67% | 0.668 | S | S | . | * | trans | -103.8 | 120.7 | 166.8 | -64.8 | -78.5 | 0 | 0 | 0 | 109.1 | L166 A485 L489 T574 L578 | L166-F576 HydrophobicContact CD1-CE2 4.27Å; A485-F576 HydrophobicContact CB-CE1 3.79Å; A485-F576 HydrophobicContact CB-CZ 4.26Å; L489-F576 HydrophobicContact CD1-CE1 4.17Å; L489-F576 HydrophobicContact CD1-CZ 3.63Å; T574-F576 WeakPolarHBondContact O-CD2 3.4Å; T574-F576 PolarHBondContact O-N 3.5Å; T574-F576 VanDerWaalsContact OG1-CE2 3.3Å; T574-F576 WeakPolarHBondContact OG1-CE2 3.26Å; F576-L578 PolarHBondContact O-N 2.91Å | ||
| 577 | L | 51.7 | Low | 38.8 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 55% | 0.55 | 67% | 0.67 | S | S | . | * | trans | -87.9 | 99 | 164.3 | -111.2 | 167.5 | 0 | 0 | 0 | 107.1 | T579 | L577-T579 PolarHBondContact O-N 2.99Š| ||
| 578 | L | 52.9 | Low | 38.8 | Very low | 52 Ų | 52 | 123.6 Ų | 123.6 | 27% | 0.272 | 68% | 0.676 | S | S | . | * | trans | -83.3 | 108.1 | 169.3 | -69.2 | 162.6 | 0 | 0 | 0 | 106.6 | M478 F576 T580 | M478-L578 HydrophobicContact CE-CD1 3.73Å; M478-L578 HydrophobicContact CE-CD2 4.25Å; M478-L578 HydrophobicContact CE-CG 4.48Å; F576-L578 PolarHBondContact O-N 2.91Å; L578-T580 PolarHBondContact O-N 3.39Å | ||
| 579 | T | 46.4 | Very low | 38.9 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | -65.1 | 111.5 | 176 | 51.8 | 0 | 0 | 0 | 0 | 108.7 | L577 G581 | L577-T579 PolarHBondContact O-N 2.99Å; T579-G581 PolarHBondContact O-N 2.86Å | ||
| 580 | T | 44.4 | Very low | 38.9 | Very low | 80 Ų | 80 | 114.3 Ų | 114.3 | 49% | 0.491 | 67% | 0.668 | S | S | . | * | trans | -71.2 | 68.2 | 167.8 | 50.9 | 0 | 0 | 0 | 0 | 109.7 | L578 | L578-T580 PolarHBondContact O-N 3.39Š| ||
| 581 | G | 34.9 | Very low | 39 | Very low | 53 Ų | 53 | 110.9 Ų | 110.9 | 55% | 0.546 | 67% | 0.666 | S | S | . | * | trans | -111.4 | 89.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | T579 | T579-G581 PolarHBondContact O-N 2.86Š| ||
| 582 | D | 31.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 111 Ų | 111 | 84% | 0.84 | 67% | 0.666 | S | S | * | * | trans | 175.2 | 12.3 | 155 | -84.5 | -16.8 | 0 | 0 | 0 | 114 | T584 | D582-T584 PolarHBondContact O-N 3.19Š| ||
| 583 | Y | 33.4 | Very low | 38.5 | Very low | 202 Ų | 202 | 117.6 Ų | 117.6 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | trans | -86.1 | 82.6 | 162.8 | -77.2 | -83.4 | 0 | 0 | 0 | 110.1 | C585 | Y583-C585 PolarHBondContact O-N 3.13Š| ||
| 584 | T | 29.3 | Very low | 37.7 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 83% | 0.828 | 69% | 0.692 | S | S | * | * | trans | -84 | 93.5 | 170.4 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | D582 | D582-T584 PolarHBondContact O-N 3.19Š| ||
| 585 | C | 29.4 | Very low | 36.5 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -76.6 | 117.4 | 155.3 | -130 | 0 | 0 | 0 | 0 | 107.2 | Y583 S587 | Y583-C585 PolarHBondContact O-N 3.13Å; C585-S587 PolarHBondContact O-N 2.97Å; C585-S587 VanDerWaalsContact O-N 3.09Å | ||
| 586 | A | 27.5 | Very low | 35.7 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 88% | 0.876 | 74% | 0.737 | S | S | * | * | trans | -62.5 | 108.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 587 | S | 35.2 | Very low | 34.4 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -146.9 | 131.8 | 150.1 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | C585 | C585-S587 PolarHBondContact O-N 2.97Å; C585-S587 VanDerWaalsContact O-N 3.09Å | ||
| 588 | D | 28.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -62.6 | 156.7 | -175 | -152.7 | -7.1 | 0 | 0 | 0 | 113.3 | ||||
| 589 | G | 33.2 | Very low | 32.3 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 129.9 | 90.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 590 | G | 29.6 | Very low | 31.7 | Very low | 68 Ų | 68 | 144.1 Ų | 144.1 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -72 | 163.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 591 | I | 34.1 | Very low | 31.4 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -171.1 | 119.4 | 135.5 | -92.9 | 150 | 0 | 0 | 0 | 110.2 | ||||
| 592 | R | 31.7 | Very low | 31.3 | Very low | 230 Ų | 230 | 151.8 Ų | 151.8 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | 29.1 | 115.9 | 148.3 | -65.3 | 178.2 | 172.4 | -173.6 | -1.9 | 122.3 | ||||
| 593 | K | 29.9 | Very low | 31.3 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | 39.3 | 114.6 | 124.3 | -82.4 | -173.6 | 172.2 | -176.5 | 0 | 119.4 | |||||
| 594 | G | 30.9 | Very low | 31.2 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -143.6 | 122.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 595 | Y | 28.3 | Very low | 31.5 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -73.3 | 127.1 | -178.8 | -118.1 | -109.2 | 0 | 0 | 0 | 110 | ||||
| 596 | E | 32.6 | Very low | 31.5 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -158 | 147.4 | 141.9 | -121.5 | 175.7 | 172.9 | 0 | 0 | 113 | ||||
| 597 | K | 27.2 | Very low | 31.7 | Very low | 183 Ų | 183 | 148.4 Ų | 148.4 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | -115.5 | 94.1 | -147.4 | -171.3 | -176 | -165.7 | 176.6 | 0 | 108.1 | ||||
| 598 | S | 32.4 | Very low | 31.8 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -115 | 104.2 | 173.5 | -73.8 | 0 | 0 | 0 | 0 | 110.7 | S600 | S598-S600 PolarHBondContact O-N 3.08Š| ||
| 599 | R | 27.8 | Very low | 32.2 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | trans | -58 | 113.1 | 168.9 | -74.1 | 170.6 | 162.1 | 164.2 | -6.8 | 108.7 | ||||
| 600 | S | 35 | Very low | 32.1 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | trans | -132.4 | 97.9 | 165.8 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | S598 N602 | S598-S600 PolarHBondContact O-N 3.08Å; S600-N602 PolarHBondContact O-N 3.12Å; S600-N602 VanDerWaalsContact O-N 3.16Å | ||
| 601 | L | 37.7 | Very low | 32.3 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 76% | 0.764 | 83% | 0.832 | S | S | * | * | trans | 39.7 | 60.1 | 137.7 | -61.6 | 171.2 | 0 | 0 | 0 | 118.5 | ||||
| 602 | N | 32.2 | Very low | 32.5 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | trans | -92.1 | 118.1 | 141 | -75.3 | -18.9 | 0 | 0 | 0 | 106.5 | S600 | S600-N602 PolarHBondContact O-N 3.12Å; S600-N602 VanDerWaalsContact O-N 3.16Å | ||
| 603 | N | 32.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | trans | 128.8 | 56.6 | 170.7 | -65.6 | -24.5 | 0 | 0 | 0 | 114.3 | ||||
| 604 | I | 31.7 | Very low | 32.7 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -143.9 | 76.6 | 153.9 | -51.5 | 178.7 | 0 | 0 | 0 | 108.8 | ||||
| 605 | A | 34.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 150.1 Ų | 150.1 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | trans | -129.4 | 76.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 606 | G | 29.4 | Very low | 33.3 | Very low | 56 Ų | 56 | 145.5 Ų | 145.5 | 58% | 0.577 | 83% | 0.829 | S | S | * | * | trans | -131.3 | 136.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 607 | L | 32.9 | Very low | 33.5 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | trans | 86.9 | 89.2 | -175.4 | -69.3 | 93.4 | 0 | 0 | 0 | 116.5 | ||||
| 608 | A | 37.9 | Very low | 33.7 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | 179.2 | 125.8 | 104.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 609 | G | 35 | Very low | 33.9 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 104.9 | 87.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 610 | N | 31.8 | Very low | 34.3 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -58.6 | 133.5 | 156 | -81.9 | -24.1 | 0 | 0 | 0 | 110.7 | ||||
| 611 | A | 34.6 | Very low | 34.4 | Very low | 92 Ų | 92 | 139 Ų | 139 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | 175.5 | 142.7 | 122.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 612 | L | 36.8 | Very low | 34.4 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | 90.3 | 87.4 | 165.7 | -54 | 176.9 | 0 | 0 | 0 | 118.4 | ||||
| 613 | R | 28.2 | Very low | 34.7 | Very low | 233 Ų | 233 | 137 Ų | 137 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -57.1 | 142.4 | 154.5 | -80.1 | -175 | 165.4 | -175.7 | -3.3 | 111.8 | ||||
| 614 | L | 39.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | -152.4 | 120.5 | 133.9 | -96.5 | 159 | 0 | 0 | 0 | 107.4 | ||||
| 615 | S | 32.4 | Very low | 35.1 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -81.4 | 167.4 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 616 | P | 37.3 | Very low | 35.4 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | -142.4 | 143 | 101.3 | 31 | -13.2 | 0 | 0 | 0 | 116.3 | |||||
| 617 | V | 36.8 | Very low | 35.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 55.9 | 112.6 | 136.6 | -170.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 618 | T | 33 | Very low | 35.9 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -68.4 | 147.2 | 169.4 | 47.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 619 | S | 35.1 | Very low | 35.8 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -148.5 | 124.8 | 135.3 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 620 | P | 36.1 | Very low | 35.7 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | trans | -110.9 | 138.1 | -179.5 | 36.2 | -24.8 | 0 | 0 | 0 | 112.1 | ||||
| 621 | Y | 39 | Very low | 36 | Very low | 224 Ų | 224 | 151.5 Ų | 151.5 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | -150.3 | 111.4 | 150 | -103.6 | -80.3 | 0 | 0 | 0 | 110.7 | ||||
| 622 | N | 37.2 | Very low | 36.1 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 0.3 | 150.5 | 143.6 | -67.2 | -25.2 | 0 | 0 | 0 | 117.5 | ||||
| 623 | S | 38 | Very low | 36.4 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | cis | 175.5 | -172.3 | 0 | -172.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 624 | P | 37.2 | Very low | 37 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | -114.9 | 155.4 | -94.9 | 37.8 | -20.3 | 0 | 0 | 0 | 115.4 | |||||
| 625 | C | 35.4 | Very low | 36.9 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 31.6 | 169.2 | 141 | -70.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 626 | P | 41.2 | Very low | 37.4 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -143.1 | 140 | -49.9 | 38.3 | -20.7 | 0 | 0 | 0 | 113.4 | ||||
| 627 | L | 38 | Very low | 37.7 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -151.6 | 94 | 163.9 | -87.2 | -178.6 | 0 | 0 | 0 | 114.8 | ||||
| 628 | R | 34 | Very low | 38.2 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | 24.3 | 107.1 | 124.3 | -152.5 | -173.6 | -151.5 | -149.3 | 4.9 | 118.4 | |||||
| 629 | R | 35.5 | Very low | 38.5 | Very low | 237 Ų | 237 | 151.3 Ų | 151.3 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | -179.6 | 136.8 | 111.6 | -115.5 | 177 | 174.3 | 168 | -2.9 | 114.3 | |||||
| 630 | S | 32.6 | Very low | 38.7 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -48.1 | 137.5 | 169.2 | 169.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 631 | R | 38.1 | Very low | 38.8 | Very low | 243 Ų | 243 | 155.7 Ų | 155.7 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | -166 | 133 | 124.6 | -104.5 | 175.3 | -179.2 | -177.5 | -0.9 | 111 | |||||
| 632 | S | 37.7 | Very low | 38.8 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -78 | -169.9 | 177.2 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 633 | P | 41.8 | Very low | 38.9 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | -129.5 | -173.8 | -64.6 | 35 | -15.9 | 0 | 0 | 0 | 113.1 | |||||
| 634 | I | 40.6 | Very low | 38.9 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | trans | 80.3 | 158.9 | 159.8 | -6.6 | -178.4 | 0 | 0 | 0 | 119 | ||||
| 635 | P | 37.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 158.6 Ų | 158.6 | 70% | 0.695 | 84% | 0.839 | S | S | * | * | -127.6 | 163.6 | -96.1 | 42 | -25.8 | 0 | 0 | 0 | 113.5 | |||||
| 636 | S | 43.9 | Very low | 39.4 | Very low | 124 Ų | 124 | 161.5 Ų | 161.5 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -164.7 | 129.5 | 156.9 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 637 | I | 43.3 | Very low | 39.2 | Very low | 167 Ų | 167 | 166.3 Ų | 166.3 | 86% | 0.856 | 85% | 0.853 | S | S | * | * | trans | -38.5 | 129.5 | 169.3 | -69.7 | 148.7 | 0 | 0 | 0 | 114.8 | ||||
| 638 | L | 47.1 | Very low | 39.3 | Very low | 240 Ų | 240 | 165.6 Ų | 165.6 | 100% | 1.257 | 85% | 0.849 | S | S | * | * | trans | -158.9 | 0 | 130.6 | -107.5 | 167 | 0 | 0 | 0 | 109.3 |
Retrieved 638 of 638 residues in 1167.5 ms
(Link to these results)