| 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 | 61.7 | Low | 84 | Confident | 134 Ų | 134 | 91.5 Ų | 91.5 | 66% | 0.66 | 50% | 0.497 | S | S | * | . | 0 | -5.5 | 0 | -78.1 | -156.8 | -78.9 | 0 | 0 | 112.9 | N3 C4 L25 H74 | M1-N3 PolarHBondContact O-N 3.25Å; M1-C4 PolarHBondContact O-N 3.25Å; M1-L25 HydrophobicContact SD-CD2 3.37Å; M1-L25 WeakPolarHBondContact SD-CD2 3.19Å; M1-H74 WeakPolarHBondContact CE-NE2 3.3Å; M1-H74 PolarHBondContact SD-NE2 3.44Å; M1-H74 VanDerWaalsContact SD-NE2 3.45Å | |||
| 2 | E | 54.8 | Low | 84.8 | Confident | 180 Ų | 180 | 86.1 Ų | 86.1 | 84% | 0.841 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 128.5 | 163.9 | -72.2 | 178.3 | 153.7 | 0 | 0 | 108.9 | ||
| 3 | N | 79.5 | Confident | 85.7 | Confident | 140 Ų | 140 | 82.3 Ų | 82.3 | 75% | 0.749 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 8.7 | -178.1 | -47.9 | -31.7 | 0 | 0 | 0 | 118.4 | M1 S5 P19 | M1-N3 PolarHBondContact O-N 3.25Å; N3-S5 PolarHBondContact O-N 2.71Å; N3-P19 HydrophobicContact CB-CG 3.88Å; N3-P19 WeakPolarHBondContact O-CG 3.32Å |
| 4 | C | 83.9 | Confident | 86.6 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | trans | -65.5 | 131.9 | 167.4 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | M1 L16 T17 | M1-C4 PolarHBondContact O-N 3.25Å; C4-L16 HydrophobicContact CB-CB 4.2Å; C4-T17 WeakPolarHBondContact CA-O 3.35Å; C4-T17 VanDerWaalsContact CB-O 3.25Å; C4-T17 WeakPolarHBondContact CB-O 3.26Å; C4-T17 PolarHBondContact SG-O 3.36Å; C4-T17 VanDerWaalsContact SG-O 3.41Å | ||
| 5 | S | 90 | Very high | 87.3 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.1 | 178.4 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | N3 I7 L16 T17 | N3-S5 PolarHBondContact O-N 2.71Å; S5-I7 PolarHBondContact O-N 2.97Å; S5-L16 CarbonylContact O-C 3.55Å; S5-L16 WeakPolarHBondContact O-CA 3.35Å; S5-T17 PolarHBondContact N-OG1 2.68Å; S5-T17 PolarHBondContact O-N 3.41Å; S5-T17 PolarHBondContact O-OG1 3.45Å; S5-T17 PolarHBondContact OG-OG1 2.92Å |
| 6 | K | 94 | Very high | 87.9 | Confident | 125 Ų | 125 | 71.3 Ų | 71.3 | 54% | 0.543 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.8 | -178.4 | -174.3 | 172.2 | 78.3 | 173.5 | 0 | 110.7 | D9 T14 L16 | K6-D9 HydrophobicContact CD-CB 3.87Å; K6-D9 IonicContact NZ-OD2 2.76Å; K6-D9 PolarHBondContact NZ-OD2 3.44Å; K6-T14 HydrophobicContact CD-CG2 3.53Å; K6-T14 HydrophobicContact CG-CG2 3.6Å; K6-L16 HydrophobicContact CB-CD2 4.1Å |
| 7 | I | 92.9 | Very high | 88.2 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 42% | 0.415 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -22.7 | 178.3 | 51.5 | 161.6 | 0 | 0 | 0 | 114 | S5 I15 T17 V24 | S5-I7 PolarHBondContact O-N 2.97Å; I7-I15 HydrophobicContact CD1-CB 4.48Å; I7-I15 HydrophobicContact CD1-CG2 3.76Å; I7-I15 HydrophobicContact CG1-CB 4.09Å; I7-I15 HydrophobicContact CG1-CG2 3.85Å; I7-I15 VanDerWaalsContact CG1-O 3.32Å; I7-I15 WeakPolarHBondContact CG1-O 3.46Å; I7-I15 PolarHBondContact N-O 3.36Å; I7-T17 HydrophobicContact CB-CG2 4.34Å; I7-T17 HydrophobicContact CD1-CG2 3.89Å; I7-T17 HydrophobicContact CG1-CG2 4.08Å; I7-T17 HydrophobicContact CG2-CG2 3.37Å; I7-V24 HydrophobicContact CD1-CG1 4Å |
| 8 | A | 92.2 | Very high | 88.6 | Confident | 48 Ų | 48 | 67 Ų | 67 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | I15 | A8-I15 HydrophobicContact CB-CB 4.02Å; A8-I15 HydrophobicContact CB-CG1 3.93Å; A8-I15 PolarHBondContact N-O 2.84Å; A8-I15 PolarHBondContact O-N 3.44Å |
| 9 | D | 93.6 | Very high | 88.6 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 97.6 | -179 | -154.8 | 19.4 | 0 | 0 | 0 | 109.7 | K6 T14 K29 | K6-D9 HydrophobicContact CD-CB 3.87Å; K6-D9 IonicContact NZ-OD2 2.76Å; K6-D9 PolarHBondContact NZ-OD2 3.44Å; D9-T14 PolarHBondContact OD1-OG1 2.82Å; D9-K29 WeakPolarHBondContact OD1-CE 3.19Å; D9-K29 IonicContact OD1-NZ 2.79Å; D9-K29 PolarHBondContact OD1-NZ 2.81Å; D9-K29 IonicContact OD2-NZ 2.69Å |
| 10 | G | 91.4 | Very high | 88.6 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 38% | 0.381 | 39% | 0.393 | S | S | . | . | trans | -93.9 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | T12 K13 K29 | G10-T12 VanDerWaalsContact C-N 3.32Å; G10-T12 PolarHBondContact O-N 3.27Å; G10-K13 CarbonylContact C-O 3.59Å; G10-K13 WeakPolarHBondContact CA-O 3.38Å; G10-K13 PolarHBondContact N-O 3.28Å; G10-K29 PolarHBondContact O-NZ 2.76Å | ||
| 11 | K | 90.5 | Very high | 88.7 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -58.1 | -40.6 | 179.4 | -64.3 | 169.5 | -176.3 | 177.7 | 0 | 112.3 | T33 N36 A37 D126 | K11-T33 HydrophobicContact CB-CG2 4.18Å; K11-N36 PolarHBondContact NZ-O 3.02Å; K11-A37 HydrophobicContact CD-CB 4.01Å; K11-D126 WeakPolarHBondContact CE-OD2 3.29Å; K11-D126 IonicContact NZ-OD1 3.26Å; K11-D126 PolarHBondContact NZ-OD1 3.47Å; K11-D126 IonicContact NZ-OD2 2.85Å; K11-D126 PolarHBondContact NZ-OD2 3.27Å |
| 12 | T | 93.4 | Very high | 90.2 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 17% | 0.166 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -121.9 | -3.4 | -172.9 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | G10 K29 | G10-T12 VanDerWaalsContact C-N 3.32Å; G10-T12 PolarHBondContact O-N 3.27Å; T12-K29 PolarHBondContact O-N 2.83Å |
| 13 | K | 96.5 | Very high | 92.1 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 16% | 0.161 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153.9 | -176.7 | 61.2 | -176.9 | -175.5 | -95.8 | 0 | 112.7 | G10 I15 V26 Q27 D200 V201 | G10-K13 CarbonylContact C-O 3.59Å; G10-K13 WeakPolarHBondContact CA-O 3.38Å; G10-K13 PolarHBondContact N-O 3.28Å; K13-I15 HydrophobicContact CD-CD1 4.41Å; K13-V26 HydrophobicContact CD-CG1 4.26Å; K13-Q27 CarbonylContact C-O 3.39Å; K13-Q27 WeakPolarHBondContact CA-O 3.38Å; K13-Q27 WeakPolarHBondContact CB-O 3.25Å; K13-D200 WeakPolarHBondContact CE-OD2 3.23Å; K13-D200 IonicContact NZ-OD1 3.99Å; K13-D200 PolarHBondContact NZ-OD1 3.12Å; K13-D200 IonicContact NZ-OD2 3.89Å; K13-D200 PolarHBondContact NZ-OD2 3.22Å; K13-V201 HydrophobicContact CD-CG1 4.15Å |
| 14 | T | 97.5 | Very high | 93 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.2 | 172 | -60 | 0 | 0 | 0 | 0 | 108.9 | K6 D9 L16 Q27 K29 | K6-T14 HydrophobicContact CD-CG2 3.53Å; K6-T14 HydrophobicContact CG-CG2 3.6Å; D9-T14 PolarHBondContact OD1-OG1 2.82Å; T14-L16 HydrophobicContact CG2-CG 4.31Å; T14-Q27 PolarHBondContact N-O 3.36Å; T14-Q27 PolarHBondContact O-N 2.93Å; T14-K29 WeakPolarHBondContact OG1-CE 3.47Å; T14-K29 PolarHBondContact OG1-NZ 2.88Å |
| 15 | I | 97.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.9 | 177.2 | -46.4 | -61.2 | 0 | 0 | 0 | 108.5 | I7 A8 K13 V24 V26 | I7-I15 HydrophobicContact CD1-CB 4.48Å; I7-I15 HydrophobicContact CD1-CG2 3.76Å; I7-I15 HydrophobicContact CG1-CB 4.09Å; I7-I15 HydrophobicContact CG1-CG2 3.85Å; I7-I15 VanDerWaalsContact CG1-O 3.32Å; I7-I15 WeakPolarHBondContact CG1-O 3.46Å; I7-I15 PolarHBondContact N-O 3.36Å; A8-I15 HydrophobicContact CB-CB 4.02Å; A8-I15 HydrophobicContact CB-CG1 3.93Å; A8-I15 PolarHBondContact N-O 2.84Å; A8-I15 PolarHBondContact O-N 3.44Å; K13-I15 HydrophobicContact CD-CD1 4.41Å; I15-V24 HydrophobicContact CG2-CB 3.78Å; I15-V24 HydrophobicContact CG2-CG1 4.05Å; I15-V24 HydrophobicContact CG2-CG2 3.94Å; I15-V26 HydrophobicContact CD1-CB 4.2Å; I15-V26 HydrophobicContact CD1-CG1 3.8Å; I15-V26 HydrophobicContact CD1-CG2 3.88Å |
| 16 | L | 96.8 | Very high | 94 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.7 | -179.4 | -61.4 | 148.7 | 0 | 0 | 0 | 109 | C4 S5 K6 T14 V24 L25 Q27 | C4-L16 HydrophobicContact CB-CB 4.2Å; S5-L16 CarbonylContact O-C 3.55Å; S5-L16 WeakPolarHBondContact O-CA 3.35Å; K6-L16 HydrophobicContact CB-CD2 4.1Å; T14-L16 HydrophobicContact CG2-CG 4.31Å; L16-V24 CarbonylContact O-C 3.52Å; L16-V24 VanDerWaalsContact O-CA 3.26Å; L16-V24 WeakPolarHBondContact O-CA 3.06Å; L16-V24 WeakPolarHBondContact O-CB 3.41Å; L16-L25 HydrophobicContact CB-CB 4.2Å; L16-L25 HydrophobicContact CD1-CD2 3.95Å; L16-L25 PolarHBondContact N-O 2.88Å; L16-L25 PolarHBondContact O-N 2.67Å; L16-Q27 HydrophobicContact CD1-CB 4.32Å |
| 17 | T | 94.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 50 Ų | 50 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 145.6 | 171.2 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | C4 S5 I7 | C4-T17 WeakPolarHBondContact CA-O 3.35Å; C4-T17 VanDerWaalsContact CB-O 3.25Å; C4-T17 WeakPolarHBondContact CB-O 3.26Å; C4-T17 PolarHBondContact SG-O 3.36Å; C4-T17 VanDerWaalsContact SG-O 3.41Å; S5-T17 PolarHBondContact N-OG1 2.68Å; S5-T17 PolarHBondContact O-N 3.41Å; S5-T17 PolarHBondContact O-OG1 3.45Å; S5-T17 PolarHBondContact OG-OG1 2.92Å; I7-T17 HydrophobicContact CB-CG2 4.34Å; I7-T17 HydrophobicContact CD1-CG2 3.89Å; I7-T17 HydrophobicContact CG1-CG2 4.08Å; I7-T17 HydrophobicContact CG2-CG2 3.37Å |
| 18 | I | 94.2 | Very high | 94.5 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 122.1 | 165.2 | -60.4 | 176.8 | 0 | 0 | 0 | 106 | S21 Y23 I80 | I18-S21 WeakPolarHBondContact O-CB 3.37Å; I18-Y23 PolarHBondContact N-O 2.82Å; I18-I80 HydrophobicContact CD1-CD1 4.45Å; I18-I80 HydrophobicContact CD1-CG1 4.1Å; I18-I80 HydrophobicContact CD1-CG2 4.12Å |
| 19 | P | 89.9 | Confident | 94.7 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 144.9 | 179.5 | -26.8 | 34.4 | 0 | 0 | 0 | 112.7 | N3 S21 | N3-P19 HydrophobicContact CB-CG 3.88Å; N3-P19 WeakPolarHBondContact O-CG 3.32Å; P19-S21 WeakPolarHBondContact O-CB 2.86Å; P19-S21 PolarHBondContact O-N 2.8Å; P19-S21 VanDerWaalsContact O-N 3.12Å |
| 20 | D | 88.1 | Confident | 94.9 | Very high | 179 Ų | 179 | 46.3 Ų | 46.3 | 96% | 0.957 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 34.9 | 176.2 | -53.3 | -46.4 | 0 | 0 | 0 | 114.2 | ||
| 21 | S | 90.4 | Very high | 95.2 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 25% | 0.252 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -144.8 | 149.6 | -171.1 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | I18 P19 Y23 | I18-S21 WeakPolarHBondContact O-CB 3.37Å; P19-S21 WeakPolarHBondContact O-CB 2.86Å; P19-S21 PolarHBondContact O-N 2.8Å; P19-S21 VanDerWaalsContact O-N 3.12Å; S21-Y23 PolarHBondContact O-N 3Å; S21-Y23 WeakPolarHBondContact OG-CB 3.45Å; S21-Y23 WeakPolarHBondContact OG-CD2 3.09Å; S21-Y23 PolarHBondContact OG-N 2.82Å; S21-Y23 VanDerWaalsContact OG-N 3.14Å |
| 22 | D | 92.7 | Very high | 95.4 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -77.4 | 0.9 | 174.3 | -59.4 | 0.5 | 0 | 0 | 0 | 111.9 | R83 I192 | D22-R83 WeakPolarHBondContact O-CB 3.19Å; D22-R83 PolarHBondContact O-N 3.14Å; D22-I192 HydrophobicContact CB-CD1 3.64Å; D22-I192 WeakPolarHBondContact OD1-CD1 3.43Å; D22-I192 WeakPolarHBondContact OD2-CD1 3.28Å |
| 23 | Y | 96.2 | Very high | 95.5 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 37% | 0.373 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 156.6 | -172.1 | -52.2 | -51 | 0 | 0 | 0 | 112.9 | I18 S21 V71 I80 A81 L82 | I18-Y23 PolarHBondContact N-O 2.82Å; S21-Y23 PolarHBondContact O-N 3Å; S21-Y23 WeakPolarHBondContact OG-CB 3.45Å; S21-Y23 WeakPolarHBondContact OG-CD2 3.09Å; S21-Y23 PolarHBondContact OG-N 2.82Å; S21-Y23 VanDerWaalsContact OG-N 3.14Å; Y23-V71 HydrophobicContact CD1-CG2 3.83Å; Y23-V71 HydrophobicContact CE1-CG2 3.78Å; Y23-I80 HydrophobicContact CD2-CG2 4.45Å; Y23-I80 HydrophobicContact CG-CG2 4.02Å; Y23-A81 CarbonylContact C-O 3.49Å; Y23-A81 WeakPolarHBondContact CA-O 2.89Å; Y23-A81 WeakPolarHBondContact CB-O 3.13Å; Y23-L82 HydrophobicContact CD1-CD2 3.91Å; Y23-L82 HydrophobicContact CE1-CD2 3.54Å; Y23-L82 HydrophobicContact CE1-CG 4.45Å |
| 24 | V | 97 | Very high | 95.2 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 153.3 | 169.4 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | I7 I15 L16 V26 I80 A81 R83 | I7-V24 HydrophobicContact CD1-CG1 4Å; I15-V24 HydrophobicContact CG2-CB 3.78Å; I15-V24 HydrophobicContact CG2-CG1 4.05Å; I15-V24 HydrophobicContact CG2-CG2 3.94Å; L16-V24 CarbonylContact O-C 3.52Å; L16-V24 VanDerWaalsContact O-CA 3.26Å; L16-V24 WeakPolarHBondContact O-CA 3.06Å; L16-V24 WeakPolarHBondContact O-CB 3.41Å; V24-V26 HydrophobicContact CG2-CG2 4.19Å; V24-I80 WeakPolarHBondContact O-CA 3.47Å; V24-A81 HydrophobicContact CG2-CB 4.2Å; V24-A81 PolarHBondContact N-O 3.07Å; V24-A81 PolarHBondContact O-N 2.95Å; V24-R83 HydrophobicContact CG1-CB 3.83Å; V24-R83 HydrophobicContact CG1-CG 3.76Å |
| 25 | L | 97.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.1 | 164.9 | -167.5 | 78.3 | 0 | 0 | 0 | 108.5 | M1 L16 H74 E78 I80 | M1-L25 HydrophobicContact SD-CD2 3.37Å; M1-L25 WeakPolarHBondContact SD-CD2 3.19Å; L16-L25 HydrophobicContact CB-CB 4.2Å; L16-L25 HydrophobicContact CD1-CD2 3.95Å; L16-L25 PolarHBondContact N-O 2.88Å; L16-L25 PolarHBondContact O-N 2.67Å; L25-H74 HydrophobicContact CD1-CB 3.82Å; L25-E78 HydrophobicContact CD1-CB 3.95Å; L25-E78 HydrophobicContact CD2-CB 4.26Å; L25-E78 HydrophobicContact CD2-CG 4.1Å; L25-E78 HydrophobicContact CG-CB 4.05Å; L25-E78 HydrophobicContact CG-CG 4.33Å; L25-I80 HydrophobicContact CD1-CG1 3.84Å |
| 26 | V | 98.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.1 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | K13 I15 V24 E78 F79 A81 | K13-V26 HydrophobicContact CD-CG1 4.26Å; I15-V26 HydrophobicContact CD1-CB 4.2Å; I15-V26 HydrophobicContact CD1-CG1 3.8Å; I15-V26 HydrophobicContact CD1-CG2 3.88Å; V24-V26 HydrophobicContact CG2-CG2 4.19Å; V26-E78 VanDerWaalsContact O-CA 3.23Å; V26-E78 WeakPolarHBondContact O-CA 3.49Å; V26-F79 HydrophobicContact CB-CD1 3.8Å; V26-F79 HydrophobicContact CB-CD2 4.32Å; V26-F79 HydrophobicContact CB-CE1 3.45Å; V26-F79 VanDerWaalsContact CB-CE1 3.45Å; V26-F79 HydrophobicContact CB-CE2 4.01Å; V26-F79 HydrophobicContact CB-CG 4.25Å; V26-F79 HydrophobicContact CB-CZ 3.57Å; V26-F79 HydrophobicContact CG1-CD1 4.12Å; V26-F79 HydrophobicContact CG1-CE1 3.4Å; V26-F79 HydrophobicContact CG1-CZ 3.68Å; V26-F79 HydrophobicContact CG2-CD2 4.31Å; V26-F79 HydrophobicContact CG2-CE1 4.05Å; V26-F79 HydrophobicContact CG2-CE2 3.74Å; V26-F79 HydrophobicContact CG2-CZ 3.6Å; V26-F79 PolarHBondContact N-O 2.99Å; V26-F79 PolarHBondContact O-N 3.33Å; V26-A81 HydrophobicContact CG2-CB 4.19Å |
| 27 | Q | 98.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 116.2 | -179.2 | -177.9 | 179.1 | 66.5 | 0 | 0 | 109.9 | K13 T14 L16 E78 | K13-Q27 CarbonylContact C-O 3.39Å; K13-Q27 WeakPolarHBondContact CA-O 3.38Å; K13-Q27 WeakPolarHBondContact CB-O 3.25Å; T14-Q27 PolarHBondContact N-O 3.36Å; T14-Q27 PolarHBondContact O-N 2.93Å; L16-Q27 HydrophobicContact CD1-CB 4.32Å; Q27-E78 HydrophobicContact CB-CG 3.86Å; Q27-E78 HydrophobicContact CG-CG 3.82Å; Q27-E78 PolarHBondContact NE2-OE1 2.81Å |
| 28 | S | 98.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 151.5 | 174 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | A47 T77 | S28-A47 VanDerWaalsContact CB-O 3.25Å; S28-A47 WeakPolarHBondContact CB-O 3.36Å; S28-A47 WeakPolarHBondContact O-CB 3.5Å; S28-T77 PolarHBondContact N-O 3.32Å |
| 29 | K | 97.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | trans | -114.7 | 149.6 | 178.9 | -60.1 | 178.1 | -178.2 | 174.3 | 0 | 111.7 | D9 G10 T12 T14 R31 | D9-K29 WeakPolarHBondContact OD1-CE 3.19Å; D9-K29 IonicContact OD1-NZ 2.79Å; D9-K29 PolarHBondContact OD1-NZ 2.81Å; D9-K29 IonicContact OD2-NZ 2.69Å; G10-K29 PolarHBondContact O-NZ 2.76Å; T12-K29 PolarHBondContact O-N 2.83Å; T14-K29 WeakPolarHBondContact OG1-CE 3.47Å; T14-K29 PolarHBondContact OG1-NZ 2.88Å; K29-R31 HydrophobicContact CB-CB 4.44Å; K29-R31 PolarHBondContact O-N 2.8Å | ||
| 30 | D | 97.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -77.3 | 55.1 | 174.1 | -75.3 | -42.7 | 0 | 0 | 0 | 111.4 | L43 G45 K46 A47 | D30-L43 WeakPolarHBondContact CB-O 3.31Å; D30-L43 PolarHBondContact O-N 2.84Å; D30-G45 WeakPolarHBondContact OD1-CA 3.31Å; D30-G45 PolarHBondContact OD1-N 3.41Å; D30-K46 PolarHBondContact OD1-N 2.85Å; D30-A47 VanDerWaalsContact OD1-CB 3.23Å; D30-A47 WeakPolarHBondContact OD1-CB 3.48Å; D30-A47 PolarHBondContact OD1-N 3.15Å |
| 31 | R | 96.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.6 | -176.9 | -163.3 | 172.1 | -171.8 | 155.3 | 1.7 | 110.5 | K29 T33 K46 | K29-R31 HydrophobicContact CB-CB 4.44Å; K29-R31 PolarHBondContact O-N 2.8Å; R31-T33 HydrophobicContact CG-CG2 4.5Å; R31-K46 WeakPolarHBondContact O-CD 3.23Å; R31-K46 WeakPolarHBondContact O-CE 3.41Å |
| 32 | I | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.4 | 170.3 | -167.4 | 166.5 | 0 | 0 | 0 | 110.3 | Q40 H41 L43 K46 K221 Y224 L238 | I32-Q40 VanDerWaalsContact O-CA 3.3Å; I32-Q40 WeakPolarHBondContact O-CA 3.23Å; I32-H41 HydrophobicContact CG2-CB 4.09Å; I32-H41 PolarHBondContact N-O 2.86Å; I32-H41 PolarHBondContact O-N 2.8Å; I32-H41 VanDerWaalsContact O-N 3.1Å; I32-L43 HydrophobicContact CB-CD2 4.11Å; I32-L43 HydrophobicContact CD1-CD2 4.26Å; I32-L43 HydrophobicContact CG2-CB 4.22Å; I32-L43 HydrophobicContact CG2-CD2 4.09Å; I32-K46 HydrophobicContact CB-CD 4.07Å; I32-K221 HydrophobicContact CD1-CD 4.41Å; I32-K221 HydrophobicContact CD1-CG 4.35Å; I32-K221 HydrophobicContact CG1-CD 4.39Å; I32-Y224 HydrophobicContact CD1-CD1 3.81Å; I32-Y224 HydrophobicContact CD1-CD2 4.25Å; I32-Y224 HydrophobicContact CD1-CE1 4.26Å; I32-Y224 HydrophobicContact CD1-CG 3.77Å; I32-Y224 HydrophobicContact CG1-CD1 4.01Å; I32-Y224 HydrophobicContact CG1-CE1 4.03Å; I32-Y224 HydrophobicContact CG1-CG 4.43Å; I32-Y224 HydrophobicContact CG2-CE1 4.2Å; I32-Y224 HydrophobicContact CG2-CE2 3.96Å; I32-L238 HydrophobicContact CD1-CD2 3.35Å |
| 33 | T | 94.5 | Very high | 94.3 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150.1 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | K11 R31 A37 R39 Q40 K221 | K11-T33 HydrophobicContact CB-CG2 4.18Å; R31-T33 HydrophobicContact CG-CG2 4.5Å; T33-A37 HydrophobicContact CG2-CB 4.3Å; T33-R39 CarbonylContact C-O 3.06Å; T33-R39 VanDerWaalsContact CA-O 3.24Å; T33-R39 WeakPolarHBondContact CA-O 3.5Å; T33-Q40 HydrophobicContact CG2-CB 4.16Å; T33-K221 WeakPolarHBondContact O-CE 3.36Å; T33-K221 PolarHBondContact O-NZ 3.19Å |
| 34 | A | 91.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 162.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.1 | N36 A37 E38 R39 Y224 R225 | A34-N36 PolarHBondContact O-N 2.87Å; A34-A37 PolarHBondContact O-N 2.88Å; A34-A37 VanDerWaalsContact O-N 3.11Å; A34-E38 PolarHBondContact O-N 3.31Å; A34-R39 HydrophobicContact CB-CB 4.24Å; A34-R39 PolarHBondContact N-O 3.37Å; A34-R39 PolarHBondContact O-N 3.42Å; A34-Y224 HydrophobicContact CB-CD1 3.93Å; A34-Y224 HydrophobicContact CB-CE1 3.73Å; A34-R225 HydrophobicContact CB-CG 4.01Å |
| 35 | F | 89 | Confident | 94.3 | Very high | 99 Ų | 99 | 58.9 Ų | 58.9 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 51 | 61.2 | 177.5 | -45.8 | -61.2 | 0 | 0 | 0 | 112 | A37 E38 R39 R225 | F35-A37 PolarHBondContact O-N 3.07Å; F35-E38 HydrophobicContact CB-CB 4.3Å; F35-E38 VanDerWaalsContact O-CB 3.28Å; F35-E38 WeakPolarHBondContact O-CB 3.25Å; F35-E38 VanDerWaalsContact O-CG 3.24Å; F35-E38 WeakPolarHBondContact O-CG 3.16Å; F35-E38 PolarHBondContact O-N 3.43Å; F35-R39 HydrophobicContact CD2-CB 4.12Å; F35-R225 HydrophobicContact CZ-CB 3.98Å; F35-R225 HydrophobicContact CZ-CG 4.38Å |
| 36 | N | 84.4 | Confident | 94.3 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | 54.9 | 24.7 | -178.8 | -60.2 | -3.5 | 0 | 0 | 0 | 115.8 | K11 A34 D126 | K11-N36 PolarHBondContact NZ-O 3.02Å; A34-N36 PolarHBondContact O-N 2.87Å; N36-D126 PolarHBondContact ND2-O 3.32Å |
| 37 | A | 84.3 | Confident | 94.3 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | 80.1 | 10.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K11 T33 A34 F35 R39 | K11-A37 HydrophobicContact CD-CB 4.01Å; T33-A37 HydrophobicContact CG2-CB 4.3Å; A34-A37 PolarHBondContact O-N 2.88Å; A34-A37 VanDerWaalsContact O-N 3.11Å; F35-A37 PolarHBondContact O-N 3.07Å; A37-R39 PolarHBondContact O-N 3.47Å |
| 38 | E | 87.8 | Confident | 94.3 | Very high | 171 Ų | 171 | 58.8 Ų | 58.8 | 80% | 0.799 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.6 | 165.4 | -67.5 | 174.3 | -178.6 | 0 | 0 | 111.3 | A34 F35 | A34-E38 PolarHBondContact O-N 3.31Å; F35-E38 HydrophobicContact CB-CB 4.3Å; F35-E38 VanDerWaalsContact O-CB 3.28Å; F35-E38 WeakPolarHBondContact O-CB 3.25Å; F35-E38 VanDerWaalsContact O-CG 3.24Å; F35-E38 WeakPolarHBondContact O-CG 3.16Å; F35-E38 PolarHBondContact O-N 3.43Å |
| 39 | R | 93.9 | Very high | 94.3 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.5 | 171.5 | -173.2 | -175.2 | -74.9 | -169.4 | -8 | 109.4 | T33 A34 F35 A37 Y224 R225 L227 | T33-R39 CarbonylContact C-O 3.06Å; T33-R39 VanDerWaalsContact CA-O 3.24Å; T33-R39 WeakPolarHBondContact CA-O 3.5Å; A34-R39 HydrophobicContact CB-CB 4.24Å; A34-R39 PolarHBondContact N-O 3.37Å; A34-R39 PolarHBondContact O-N 3.42Å; F35-R39 HydrophobicContact CD2-CB 4.12Å; A37-R39 PolarHBondContact O-N 3.47Å; R39-Y224 HydrophobicContact CG-CE1 3.97Å; R39-Y224 WeakPolarHBondContact CG-OH 3.35Å; R39-Y224 PolarHBondContact NH1-O 2.87Å; R39-R225 PolarHBondContact NH1-O 3.12Å; R39-L227 VanDerWaalsContact CZ-O 3.26Å; R39-L227 PolarHBondContact NH1-O 3.24Å; R39-L227 PolarHBondContact NH2-O 3.17Å |
| 40 | Q | 95.1 | Very high | 94.3 | Very high | 93 Ų | 93 | 56.3 Ų | 56.3 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 141 | -179.5 | 58.4 | -174.9 | -13.9 | 0 | 0 | 111.4 | I32 T33 | I32-Q40 VanDerWaalsContact O-CA 3.3Å; I32-Q40 WeakPolarHBondContact O-CA 3.23Å; T33-Q40 HydrophobicContact CG2-CB 4.16Å |
| 41 | H | 96.2 | Very high | 94.4 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 30% | 0.296 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.6 | 175.8 | -68.9 | 66.4 | 0 | 0 | 0 | 109.1 | I32 Y224 L235 | I32-H41 HydrophobicContact CG2-CB 4.09Å; I32-H41 PolarHBondContact N-O 2.86Å; I32-H41 PolarHBondContact O-N 2.8Å; I32-H41 VanDerWaalsContact O-N 3.1Å; H41-Y224 AromaticContact ND1-CZ 3.83Å; H41-Y224 PolarHBondContact ND1-OH 2.67Å; H41-L235 HydrophobicContact CB-CD1 4.2Å; H41-L235 HydrophobicContact CB-CD2 4.35Å |
| 42 | D | 95.1 | Very high | 94.5 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 70% | 0.695 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.7 | 162.5 | -64 | -35.2 | 0 | 0 | 0 | 108.3 | ||
| 43 | L | 95.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | trans | -144 | 85.5 | -174.5 | -172 | 60.5 | 0 | 0 | 0 | 109 | D30 I32 G45 K46 L235 L238 I239 | D30-L43 WeakPolarHBondContact CB-O 3.31Å; D30-L43 PolarHBondContact O-N 2.84Å; I32-L43 HydrophobicContact CB-CD2 4.11Å; I32-L43 HydrophobicContact CD1-CD2 4.26Å; I32-L43 HydrophobicContact CG2-CB 4.22Å; I32-L43 HydrophobicContact CG2-CD2 4.09Å; L43-G45 PolarHBondContact O-N 3.25Å; L43-K46 HydrophobicContact CB-CB 4.09Å; L43-K46 HydrophobicContact CD2-CB 4Å; L43-K46 HydrophobicContact CD2-CD 4.2Å; L43-K46 HydrophobicContact CD2-CG 4.07Å; L43-K46 HydrophobicContact CG-CB 3.99Å; L43-K46 WeakPolarHBondContact O-CB 3.47Å; L43-K46 PolarHBondContact O-N 2.88Å; L43-L235 HydrophobicContact CD1-CB 3.75Å; L43-L235 HydrophobicContact CD1-CD2 4.09Å; L43-L235 HydrophobicContact CD1-CG 4.34Å; L43-L238 HydrophobicContact CD2-CD2 3.89Å; L43-L238 HydrophobicContact CD2-CG 4.45Å; L43-I239 HydrophobicContact CD1-CD1 4.08Å; L43-I239 HydrophobicContact CD1-CG1 3.73Å; L43-I239 HydrophobicContact CD2-CD1 4.12Å; L43-I239 HydrophobicContact CD2-CG1 4.46Å; L43-I239 HydrophobicContact CG-CD1 3.79Å; L43-I239 HydrophobicContact CG-CG1 4.03Å | ||
| 44 | E | 95.9 | Very high | 94.8 | Very high | 174 Ų | 174 | 48.8 Ų | 48.8 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.7 | -179.5 | -171.6 | 178.6 | 178.9 | 0 | 0 | 111.2 | K46 I239 | E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3Å; E44-I239 WeakPolarHBondContact O-CD1 3.26Å |
| 45 | G | 95.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -12.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D30 L43 A47 H48 L49 | D30-G45 WeakPolarHBondContact OD1-CA 3.31Å; D30-G45 PolarHBondContact OD1-N 3.41Å; L43-G45 PolarHBondContact O-N 3.25Å; G45-A47 VanDerWaalsContact C-N 3.33Å; G45-A47 PolarHBondContact O-N 2.92Å; G45-H48 PolarHBondContact O-N 2.86Å; G45-L49 WeakPolarHBondContact O-CG 3.46Å; G45-L49 PolarHBondContact O-N 2.95Å; G45-L49 VanDerWaalsContact O-N 3.11Å |
| 46 | K | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -39.1 | 176.4 | -167.8 | -153.6 | -174.6 | -63.3 | 0 | 111.8 | D30 R31 I32 L43 E44 H48 L49 S50 D203 D205 I239 F242 | D30-K46 PolarHBondContact OD1-N 2.85Å; R31-K46 WeakPolarHBondContact O-CD 3.23Å; R31-K46 WeakPolarHBondContact O-CE 3.41Å; I32-K46 HydrophobicContact CB-CD 4.07Å; L43-K46 HydrophobicContact CB-CB 4.09Å; L43-K46 HydrophobicContact CD2-CB 4Å; L43-K46 HydrophobicContact CD2-CD 4.2Å; L43-K46 HydrophobicContact CD2-CG 4.07Å; L43-K46 HydrophobicContact CG-CB 3.99Å; L43-K46 WeakPolarHBondContact O-CB 3.47Å; L43-K46 PolarHBondContact O-N 2.88Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3Å; K46-H48 PolarHBondContact O-N 3.02Å; K46-L49 PolarHBondContact O-N 3.05Å; K46-S50 PolarHBondContact NZ-OG 3.22Å; K46-S50 WeakPolarHBondContact O-CB 3.39Å; K46-S50 PolarHBondContact O-N 3Å; K46-D203 IonicContact NZ-OD2 3.82Å; K46-D205 IonicContact NZ-OD1 3.55Å; K46-D205 IonicContact NZ-OD2 2.78Å; K46-D205 PolarHBondContact NZ-OD2 3.33Å; K46-I239 HydrophobicContact CB-CD1 4.42Å; K46-F242 HydrophobicContact CG-CD2 4.37Å; K46-F242 HydrophobicContact CG-CE2 4.24Å |
| 47 | A | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.2 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S28 D30 G45 N51 T77 | S28-A47 VanDerWaalsContact CB-O 3.25Å; S28-A47 WeakPolarHBondContact CB-O 3.36Å; S28-A47 WeakPolarHBondContact O-CB 3.5Å; D30-A47 VanDerWaalsContact OD1-CB 3.23Å; D30-A47 WeakPolarHBondContact OD1-CB 3.48Å; D30-A47 PolarHBondContact OD1-N 3.15Å; G45-A47 VanDerWaalsContact C-N 3.33Å; G45-A47 PolarHBondContact O-N 2.92Å; A47-N51 VanDerWaalsContact O-CB 3.29Å; A47-N51 WeakPolarHBondContact O-CB 3.38Å; A47-N51 PolarHBondContact O-N 2.93Å; A47-T77 HydrophobicContact CB-CG2 3.7Å |
| 48 | H | 98.2 | Very high | 96.9 | Very high | 69 Ų | 69 | 41 Ų | 41 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -52.1 | 177.9 | 170.4 | 57.2 | 0 | 0 | 0 | 111.6 | G45 K46 S50 N51 V52 N76 T77 | G45-H48 PolarHBondContact O-N 2.86Å; K46-H48 PolarHBondContact O-N 3.02Å; H48-S50 PolarHBondContact O-N 2.9Å; H48-N51 PolarHBondContact O-N 3.42Å; H48-V52 WeakPolarHBondContact CE1-CG2 3.43Å; H48-V52 WeakPolarHBondContact O-CB 3.44Å; H48-V52 WeakPolarHBondContact O-CG2 3.31Å; H48-V52 PolarHBondContact O-N 2.96Å; H48-N76 VanDerWaalsContact CA-O 3.31Å; H48-N76 WeakPolarHBondContact CA-O 3.4Å; H48-N76 WeakPolarHBondContact ND1-CB 3.42Å; H48-N76 PolarHBondContact ND1-O 3.1Å; H48-N76 VanDerWaalsContact ND1-O 3.15Å; H48-T77 HydrophobicContact CB-CG2 4.39Å |
| 49 | L | 98.5 | Very high | 97.4 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | -177.8 | -66.6 | 173 | 0 | 0 | 0 | 112 | G45 K46 T53 I239 F242 V246 | G45-L49 WeakPolarHBondContact O-CG 3.46Å; G45-L49 PolarHBondContact O-N 2.95Å; G45-L49 VanDerWaalsContact O-N 3.11Å; K46-L49 PolarHBondContact O-N 3.05Å; L49-T53 WeakPolarHBondContact O-CB 3.33Å; L49-T53 PolarHBondContact O-N 3.2Å; L49-T53 PolarHBondContact O-OG1 2.87Å; L49-I239 HydrophobicContact CD1-CD1 3.81Å; L49-I239 HydrophobicContact CD1-CG2 4.2Å; L49-F242 HydrophobicContact CB-CB 4.28Å; L49-F242 HydrophobicContact CD1-CB 3.69Å; L49-V246 HydrophobicContact CD2-CG2 3.99Å |
| 50 | S | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.5 | -83.4 | 0 | 0 | 0 | 0 | 111.9 | K46 H48 T54 D203 | K46-S50 PolarHBondContact NZ-OG 3.22Å; K46-S50 WeakPolarHBondContact O-CB 3.39Å; K46-S50 PolarHBondContact O-N 3Å; H48-S50 PolarHBondContact O-N 2.9Å; S50-T54 WeakPolarHBondContact O-CB 3.16Å; S50-T54 PolarHBondContact O-N 3.01Å; S50-T54 PolarHBondContact O-OG1 3.5Å; S50-D203 VanDerWaalsContact CB-OD2 3.23Å; S50-D203 WeakPolarHBondContact CB-OD2 3.32Å; S50-D203 PolarHBondContact OG-OD2 3.37Å |
| 51 | N | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -43.7 | -179.4 | 178.4 | 64.1 | 0 | 0 | 0 | 112.3 | A47 H48 S55 S75 N76 T77 E78 F79 | A47-N51 VanDerWaalsContact O-CB 3.29Å; A47-N51 WeakPolarHBondContact O-CB 3.38Å; A47-N51 PolarHBondContact O-N 2.93Å; H48-N51 PolarHBondContact O-N 3.42Å; N51-S55 VanDerWaalsContact O-CB 3.27Å; N51-S55 WeakPolarHBondContact O-CB 3.24Å; N51-S55 PolarHBondContact O-N 3.41Å; N51-S55 PolarHBondContact O-OG 2.86Å; N51-S75 PolarHBondContact ND2-O 2.92Å; N51-N76 VanDerWaalsContact ND2-C 3.26Å; N51-N76 PolarHBondContact ND2-O 2.79Å; N51-T77 VanDerWaalsContact CG-C 3.41Å; N51-E78 VanDerWaalsContact CG-N 3.34Å; N51-E78 PolarHBondContact ND2-N 3.23Å; N51-E78 PolarHBondContact ND2-O 3.49Å; N51-E78 PolarHBondContact OD1-N 3.39Å; N51-E78 PolarHBondContact OD1-O 3.27Å; N51-F79 WeakPolarHBondContact OD1-CD1 3.33Å; N51-F79 PolarHBondContact OD1-N 3.3Å |
| 52 | V | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | H48 T54 S55 L56 M73 V246 | H48-V52 WeakPolarHBondContact CE1-CG2 3.43Å; H48-V52 WeakPolarHBondContact O-CB 3.44Å; H48-V52 WeakPolarHBondContact O-CG2 3.31Å; H48-V52 PolarHBondContact O-N 2.96Å; V52-T54 PolarHBondContact O-N 3.45Å; V52-S55 PolarHBondContact O-N 3Å; V52-L56 HydrophobicContact CG1-CD1 3.83Å; V52-L56 HydrophobicContact CG1-CG 4.21Å; V52-L56 WeakPolarHBondContact O-CB 3.08Å; V52-L56 WeakPolarHBondContact O-CG 3.49Å; V52-L56 PolarHBondContact O-N 2.89Å; V52-M73 HydrophobicContact CB-CE 4.43Å; V52-M73 HydrophobicContact CG1-CE 4.48Å; V52-M73 HydrophobicContact CG2-CE 4.12Å; V52-V246 HydrophobicContact CG1-CG1 3.64Å; V52-V246 HydrophobicContact CG1-CG2 4.29Å |
| 53 | T | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.4 | -52.2 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | L49 S55 L56 V57 D203 W207 V245 V246 L249 | L49-T53 WeakPolarHBondContact O-CB 3.33Å; L49-T53 PolarHBondContact O-N 3.2Å; L49-T53 PolarHBondContact O-OG1 2.87Å; T53-S55 VanDerWaalsContact C-N 3.34Å; T53-S55 PolarHBondContact O-N 3.21Å; T53-L56 PolarHBondContact O-N 2.83Å; T53-V57 VanDerWaalsContact O-CG2 3.32Å; T53-V57 WeakPolarHBondContact O-CG2 3.42Å; T53-V57 PolarHBondContact O-N 2.86Å; T53-D203 HydrophobicContact CG2-CB 4.21Å; T53-W207 HydrophobicContact CG2-CH2 4.28Å; T53-W207 HydrophobicContact CG2-CZ2 3.93Å; T53-V245 HydrophobicContact CG2-CG1 4.2Å; T53-V246 VanDerWaalsContact OG1-CG2 3.3Å; T53-V246 WeakPolarHBondContact OG1-CG2 3.36Å; T53-L249 HydrophobicContact CG2-CD1 3.57Å |
| 54 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 179 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | S50 V52 V57 F58 F79 V201 I202 | S50-T54 WeakPolarHBondContact O-CB 3.16Å; S50-T54 PolarHBondContact O-N 3.01Å; S50-T54 PolarHBondContact O-OG1 3.5Å; V52-T54 PolarHBondContact O-N 3.45Å; T54-V57 PolarHBondContact O-N 3.38Å; T54-F58 HydrophobicContact CG2-CD2 3.53Å; T54-F58 HydrophobicContact CG2-CE2 3.49Å; T54-F58 VanDerWaalsContact CG2-CE2 3.49Å; T54-F58 HydrophobicContact CG2-CZ 4.42Å; T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 3.31Å; T54-F79 HydrophobicContact CG2-CE1 4.01Å; T54-F79 HydrophobicContact CG2-CZ 4.2Å; T54-V201 HydrophobicContact CG2-CB 3.94Å; T54-V201 HydrophobicContact CG2-CG1 4.14Å; T54-I202 VanDerWaalsContact CA-O 3.31Å; T54-I202 WeakPolarHBondContact CA-O 3.38Å; T54-I202 PolarHBondContact OG1-O 3.37Å |
| 55 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | N51 V52 T53 Q59 F70 M73 | N51-S55 VanDerWaalsContact O-CB 3.27Å; N51-S55 WeakPolarHBondContact O-CB 3.24Å; N51-S55 PolarHBondContact O-N 3.41Å; N51-S55 PolarHBondContact O-OG 2.86Å; V52-S55 PolarHBondContact O-N 3Å; T53-S55 VanDerWaalsContact C-N 3.34Å; T53-S55 PolarHBondContact O-N 3.21Å; S55-Q59 WeakPolarHBondContact O-CB 3.27Å; S55-Q59 WeakPolarHBondContact O-CG 3.29Å; S55-Q59 PolarHBondContact O-N 3.24Å; S55-F70 WeakPolarHBondContact OG-CE2 3.49Å; S55-M73 WeakPolarHBondContact OG-CE 3.45Å |
| 56 | L | 98.3 | Very high | 97.9 | Very high | 36 Ų | 36 | 18 Ų | 18 | 19% | 0.188 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 177.4 | -71.5 | 174.2 | 0 | 0 | 0 | 111.4 | V52 T53 Q59 Y60 V246 L249 K250 | V52-L56 HydrophobicContact CG1-CD1 3.83Å; V52-L56 HydrophobicContact CG1-CG 4.21Å; V52-L56 WeakPolarHBondContact O-CB 3.08Å; V52-L56 WeakPolarHBondContact O-CG 3.49Å; V52-L56 PolarHBondContact O-N 2.89Å; T53-L56 PolarHBondContact O-N 2.83Å; L56-Q59 PolarHBondContact O-N 2.59Å; L56-Y60 VanDerWaalsContact O-CB 3.29Å; L56-Y60 WeakPolarHBondContact O-CB 3.24Å; L56-Y60 PolarHBondContact O-N 2.98Å; L56-V246 HydrophobicContact CD1-CG1 4.21Å; L56-L249 HydrophobicContact CB-CB 4.18Å; L56-L249 HydrophobicContact CB-CD1 4.33Å; L56-L249 HydrophobicContact CD1-CB 3.84Å; L56-K250 HydrophobicContact CD1-CG 4.25Å |
| 57 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -49.7 | 177.3 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | T53 T54 Y60 L61 L169 I202 W207 L249 | T53-V57 VanDerWaalsContact O-CG2 3.32Å; T53-V57 WeakPolarHBondContact O-CG2 3.42Å; T53-V57 PolarHBondContact O-N 2.86Å; T54-V57 PolarHBondContact O-N 3.38Å; V57-Y60 WeakPolarHBondContact O-CB 3.46Å; V57-Y60 PolarHBondContact O-N 3.29Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 WeakPolarHBondContact O-CG 3.38Å; V57-L61 PolarHBondContact O-N 3.2Å; V57-L169 HydrophobicContact CG1-CD1 4.22Å; V57-L169 HydrophobicContact CG1-CD2 4.13Å; V57-I202 HydrophobicContact CB-CB 4.48Å; V57-I202 HydrophobicContact CG1-CB 3.9Å; V57-I202 HydrophobicContact CG1-CD1 4.05Å; V57-I202 HydrophobicContact CG1-CG2 3.92Å; V57-I202 HydrophobicContact CG2-CG2 4.48Å; V57-W207 HydrophobicContact CG2-CH2 3.58Å; V57-W207 HydrophobicContact CG2-CZ3 3.97Å; V57-L249 HydrophobicContact CG2-CD1 4.06Å; V57-L249 HydrophobicContact CG2-CD2 3.9Å |
| 58 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -34.8 | -179.4 | -72.9 | -31.2 | 0 | 0 | 0 | 113.1 | T54 Y60 L61 N62 T68 H69 F70 L198 D200 I202 | T54-F58 HydrophobicContact CG2-CD2 3.53Å; T54-F58 HydrophobicContact CG2-CE2 3.49Å; T54-F58 VanDerWaalsContact CG2-CE2 3.49Å; T54-F58 HydrophobicContact CG2-CZ 4.42Å; T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 3.31Å; F58-Y60 VanDerWaalsContact C-N 3.33Å; F58-L61 HydrophobicContact CD1-CD1 4.21Å; F58-L61 PolarHBondContact O-N 3.33Å; F58-N62 VanDerWaalsContact O-CB 3.22Å; F58-N62 WeakPolarHBondContact O-CB 3.34Å; F58-N62 PolarHBondContact O-N 2.75Å; F58-N62 PolarHBondContact O-ND2 3.33Å; F58-T68 HydrophobicContact CD1-CG2 3.77Å; F58-T68 HydrophobicContact CE1-CG2 4.24Å; F58-T68 HydrophobicContact CG-CG2 4.47Å; F58-H69 AromaticContact CE2-CD2 3.86Å; F58-H69 AromaticContact CE2-NE2 3.58Å; F58-F70 HydrophobicContact CB-CB 3.49Å; F58-F70 VanDerWaalsContact CB-CB 3.49Å; F58-F70 HydrophobicContact CB-CD1 4.08Å; F58-F70 HydrophobicContact CB-CD2 4.12Å; F58-F70 HydrophobicContact CB-CG 3.65Å; F58-F70 HydrophobicContact CD2-CB 3.61Å; F58-F70 HydrophobicContact CD2-CD2 4.06Å; F58-F70 HydrophobicContact CD2-CG 4.12Å; F58-F70 HydrophobicContact CG-CB 3.83Å; F58-F70 HydrophobicContact CG-CG 4.34Å; F58-L198 HydrophobicContact CE1-CD2 3.97Å; F58-L198 HydrophobicContact CE1-CG 4.15Å; F58-D200 WeakPolarHBondContact CE2-O 3.42Å; F58-I202 HydrophobicContact CD1-CD1 4.42Å; F58-I202 HydrophobicContact CE1-CD1 3.71Å; F58-I202 HydrophobicContact CE1-CG1 3.9Å; F58-I202 HydrophobicContact CZ-CD1 4.43Å; F58-I202 HydrophobicContact CZ-CG1 4.14Å |
| 59 | Q | 97.9 | Very high | 97.8 | Very high | 85 Ų | 85 | 23.8 Ų | 23.8 | 40% | 0.397 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 170 | -76.9 | 172.3 | -0.2 | 0 | 0 | 111.2 | S55 L56 N62 S63 F70 | S55-Q59 WeakPolarHBondContact O-CB 3.27Å; S55-Q59 WeakPolarHBondContact O-CG 3.29Å; S55-Q59 PolarHBondContact O-N 3.24Å; L56-Q59 PolarHBondContact O-N 2.59Å; Q59-N62 PolarHBondContact O-N 2.95Å; Q59-S63 WeakPolarHBondContact O-CB 3.49Å; Q59-S63 PolarHBondContact O-N 2.75Å; Q59-F70 HydrophobicContact CG-CD1 4.39Å; Q59-F70 HydrophobicContact CG-CE1 3.53Å; Q59-F70 HydrophobicContact CG-CZ 3.98Å |
| 60 | Y | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -53.5 | 176 | 176.9 | -110.7 | 0 | 0 | 0 | 111.3 | L56 V57 F58 N62 S63 L64 I168 L169 A172 F252 T253 H388 Y389 S392 | L56-Y60 VanDerWaalsContact O-CB 3.29Å; L56-Y60 WeakPolarHBondContact O-CB 3.24Å; L56-Y60 PolarHBondContact O-N 2.98Å; V57-Y60 WeakPolarHBondContact O-CB 3.46Å; V57-Y60 PolarHBondContact O-N 3.29Å; F58-Y60 VanDerWaalsContact C-N 3.33Å; Y60-N62 PolarHBondContact O-N 3.1Å; Y60-S63 WeakPolarHBondContact O-CB 3.37Å; Y60-S63 PolarHBondContact O-N 3.18Å; Y60-S63 VanDerWaalsContact O-N 3.13Å; Y60-S63 PolarHBondContact O-OG 2.92Å; Y60-L64 HydrophobicContact CD1-CD1 4.13Å; Y60-L64 HydrophobicContact CE1-CD1 3.67Å; Y60-L64 HydrophobicContact CE2-CD1 4.31Å; Y60-L64 WeakPolarHBondContact O-CG 3.24Å; Y60-L64 PolarHBondContact O-N 2.74Å; Y60-I168 HydrophobicContact CD1-CG2 4.49Å; Y60-I168 HydrophobicContact CE1-CG2 3.69Å; Y60-L169 HydrophobicContact CD1-CD2 4.15Å; Y60-L169 HydrophobicContact CE1-CD2 4.39Å; Y60-A172 HydrophobicContact CE1-CB 3.87Å; Y60-F252 AromaticContact CD1-CD2 3.92Å; Y60-F252 HydrophobicContact CD1-CD2 3.92Å; Y60-F252 HydrophobicContact CD2-CB 3.86Å; Y60-F252 HydrophobicContact CD2-CD2 4.35Å; Y60-F252 HydrophobicContact CE1-CD2 4.07Å; Y60-F252 HydrophobicContact CE2-CB 3.93Å; Y60-F252 HydrophobicContact CE2-CD2 4.49Å; Y60-F252 WeakPolarHBondContact CE2-O 3.28Å; Y60-F252 HydrophobicContact CG-CB 4.35Å; Y60-F252 HydrophobicContact CG-CD2 4.07Å; Y60-T253 HydrophobicContact CD2-CG2 3.72Å; Y60-T253 HydrophobicContact CE2-CG2 4.11Å; Y60-H388 PolarHBondContact OH-CD2 3.04Å; Y60-Y389 HydrophobicContact CD2-CE2 4.47Å; Y60-Y389 AromaticContact CE2-CD2 3.82Å; Y60-Y389 HydrophobicContact CE2-CD2 3.82Å; Y60-Y389 HydrophobicContact CE2-CE2 4.09Å; Y60-S392 PolarHBondContact OH-OG 3.29Å |
| 61 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 178.1 | -66.9 | 176 | 0 | 0 | 0 | 112.5 | V57 F58 S63 L64 G65 L66 T68 V165 I168 L169 L198 I202 | V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 WeakPolarHBondContact O-CG 3.38Å; V57-L61 PolarHBondContact O-N 3.2Å; F58-L61 HydrophobicContact CD1-CD1 4.21Å; F58-L61 PolarHBondContact O-N 3.33Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 2.79Å; L61-L64 WeakPolarHBondContact O-CB 3.38Å; L61-L64 PolarHBondContact O-N 2.66Å; L61-L64 VanDerWaalsContact O-N 3.15Å; L61-G65 PolarHBondContact O-N 3Å; L61-L66 CarbonylContact C-O 3.6Å; L61-L66 HydrophobicContact CB-CD2 4.39Å; L61-L66 HydrophobicContact CD1-CD2 4.49Å; L61-L66 HydrophobicContact CD2-CD2 4.14Å; L61-L66 PolarHBondContact O-N 3.18Å; L61-L66 VanDerWaalsContact O-N 3.12Å; L61-T68 HydrophobicContact CB-CG2 4.11Å; L61-T68 HydrophobicContact CD1-CG2 4.3Å; L61-V165 HydrophobicContact CD1-CG1 3.99Å; L61-V165 HydrophobicContact CD2-CG1 4.41Å; L61-I168 HydrophobicContact CD2-CG2 3.83Å; L61-L169 HydrophobicContact CD2-CD2 4.31Å; L61-L198 HydrophobicContact CD1-CD2 3.86Å; L61-I202 HydrophobicContact CD1-CD1 4.42Å |
| 62 | N | 97.5 | Very high | 97.7 | Very high | 51 Ų | 51 | 32.1 Ų | 32.1 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62 | -38.6 | 176.6 | -74.5 | -15.3 | 0 | 0 | 0 | 111.5 | F58 Q59 Y60 L64 G65 L66 T68 F70 | F58-N62 VanDerWaalsContact O-CB 3.22Å; F58-N62 WeakPolarHBondContact O-CB 3.34Å; F58-N62 PolarHBondContact O-N 2.75Å; F58-N62 PolarHBondContact O-ND2 3.33Å; Q59-N62 PolarHBondContact O-N 2.95Å; Y60-N62 PolarHBondContact O-N 3.1Å; N62-L64 PolarHBondContact O-N 3.49Å; N62-G65 PolarHBondContact O-N 3.33Å; N62-L66 WeakPolarHBondContact CA-O 3.16Å; N62-L66 PolarHBondContact OD1-O 2.89Å; N62-L66 VanDerWaalsContact OD1-O 3.07Å; N62-T68 PolarHBondContact ND2-OG1 2.89Å; N62-T68 PolarHBondContact OD1-N 2.93Å; N62-T68 PolarHBondContact OD1-OG1 3.27Å; N62-F70 PolarHBondContact ND2-O 3.3Å |
| 63 | S | 95.4 | Very high | 97.7 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 28% | 0.28 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.3 | -24.7 | 177.8 | 84.8 | 0 | 0 | 0 | 0 | 113.1 | Q59 Y60 L61 G65 Y389 R393 | Q59-S63 WeakPolarHBondContact O-CB 3.49Å; Q59-S63 PolarHBondContact O-N 2.75Å; Y60-S63 WeakPolarHBondContact O-CB 3.37Å; Y60-S63 PolarHBondContact O-N 3.18Å; Y60-S63 VanDerWaalsContact O-N 3.13Å; Y60-S63 PolarHBondContact O-OG 2.92Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 2.79Å; S63-G65 VanDerWaalsContact C-N 3.29Å; S63-Y389 WeakPolarHBondContact CB-OH 3.37Å; S63-Y389 PolarHBondContact O-OH 3.46Å; S63-Y389 WeakPolarHBondContact OG-CE2 3.12Å; S63-Y389 PolarHBondContact OG-OH 3.11Å; S63-R393 PolarHBondContact O-NE 3.31Å; S63-R393 PolarHBondContact O-NH2 2.81Å |
| 64 | L | 96.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6 | 175.2 | -60.8 | 168.6 | 0 | 0 | 0 | 112.8 | Y60 L61 N62 I168 Y389 R393 V396 | Y60-L64 HydrophobicContact CD1-CD1 4.13Å; Y60-L64 HydrophobicContact CE1-CD1 3.67Å; Y60-L64 HydrophobicContact CE2-CD1 4.31Å; Y60-L64 WeakPolarHBondContact O-CG 3.24Å; Y60-L64 PolarHBondContact O-N 2.74Å; L61-L64 WeakPolarHBondContact O-CB 3.38Å; L61-L64 PolarHBondContact O-N 2.66Å; L61-L64 VanDerWaalsContact O-N 3.15Å; N62-L64 PolarHBondContact O-N 3.49Å; L64-I168 HydrophobicContact CD1-CG2 3.47Å; L64-I168 VanDerWaalsContact CD1-CG2 3.47Å; L64-Y389 HydrophobicContact CD2-CD1 4.38Å; L64-Y389 HydrophobicContact CD2-CD2 3.73Å; L64-Y389 HydrophobicContact CD2-CE1 4.21Å; L64-Y389 HydrophobicContact CD2-CE2 3.5Å; L64-Y389 HydrophobicContact CD2-CG 4.15Å; L64-Y389 HydrophobicContact CG-CE2 4.29Å; L64-R393 HydrophobicContact CB-CG 4.36Å; L64-R393 HydrophobicContact CD2-CG 3.66Å; L64-V396 HydrophobicContact CB-CG2 4Å |
| 65 | G | 95.5 | Very high | 97.6 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -0.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L61 N62 S63 K67 | L61-G65 PolarHBondContact O-N 3Å; N62-G65 PolarHBondContact O-N 3.33Å; S63-G65 VanDerWaalsContact C-N 3.29Å; G65-K67 PolarHBondContact O-N 3.37Å |
| 66 | L | 97 | Very high | 97.5 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | trans | -82.8 | 103.8 | 175.6 | -175.6 | 72.1 | 0 | 0 | 0 | 109.7 | L61 N62 T68 V165 V396 L399 | L61-L66 CarbonylContact C-O 3.6Å; L61-L66 HydrophobicContact CB-CD2 4.39Å; L61-L66 HydrophobicContact CD1-CD2 4.49Å; L61-L66 HydrophobicContact CD2-CD2 4.14Å; L61-L66 PolarHBondContact O-N 3.18Å; L61-L66 VanDerWaalsContact O-N 3.12Å; N62-L66 WeakPolarHBondContact CA-O 3.16Å; N62-L66 PolarHBondContact OD1-O 2.89Å; N62-L66 VanDerWaalsContact OD1-O 3.07Å; L66-T68 PolarHBondContact O-N 3.47Å; L66-V165 HydrophobicContact CD2-CG2 3.49Å; L66-V165 VanDerWaalsContact CD2-CG2 3.49Å; L66-V396 HydrophobicContact CB-CG1 4.28Å; L66-V396 HydrophobicContact CB-CG2 4.07Å; L66-L399 HydrophobicContact CD1-CD2 3.58Å | ||
| 67 | K | 95.1 | Very high | 97.5 | Very high | 176 Ų | 176 | 45.3 Ų | 45.3 | 77% | 0.765 | 24% | 0.239 | S | C | * | . | trans | -66.5 | 127.7 | -179.8 | -64.1 | -172.2 | 178.5 | -174.8 | 0 | 111.6 | G65 | G65-K67 PolarHBondContact O-N 3.37Š| ||
| 68 | T | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -116.7 | 169.9 | 171.9 | 66.9 | 0 | 0 | 0 | 0 | 110 | F58 L61 N62 L66 F70 I197 L198 | F58-T68 HydrophobicContact CD1-CG2 3.77Å; F58-T68 HydrophobicContact CE1-CG2 4.24Å; F58-T68 HydrophobicContact CG-CG2 4.47Å; L61-T68 HydrophobicContact CB-CG2 4.11Å; L61-T68 HydrophobicContact CD1-CG2 4.3Å; N62-T68 PolarHBondContact ND2-OG1 2.89Å; N62-T68 PolarHBondContact OD1-N 2.93Å; N62-T68 PolarHBondContact OD1-OG1 3.27Å; L66-T68 PolarHBondContact O-N 3.47Å; T68-F70 PolarHBondContact O-N 3.2Å; T68-F70 WeakPolarHBondContact OG1-CB 3.3Å; T68-F70 PolarHBondContact OG1-N 3.11Å; T68-I197 WeakPolarHBondContact O-CD1 3.26Å; T68-L198 HydrophobicContact CG2-CB 4.36Å; T68-L198 HydrophobicContact CG2-CD2 3.88Å |
| 69 | H | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67.7 | -10.9 | 175.8 | 81.6 | 162.9 | 0 | 0 | 0 | 113 | F58 F79 A81 L82 I197 L198 A199 D200 | F58-H69 AromaticContact CE2-CD2 3.86Å; F58-H69 AromaticContact CE2-NE2 3.58Å; H69-F79 AromaticContact NE2-CE2 3.65Å; H69-F79 AromaticContact NE2-CZ 3.85Å; H69-A81 CarbonylContact O-C 3.55Å; H69-A81 WeakPolarHBondContact O-CA 3.37Å; H69-A81 WeakPolarHBondContact O-CB 3.42Å; H69-L82 HydrophobicContact CB-CB 4.2Å; H69-L82 PolarHBondContact O-N 2.86Å; H69-I197 HydrophobicContact CB-CG2 4.09Å; H69-L198 PolarHBondContact N-O 3.1Å; H69-A199 HydrophobicContact CB-CB 4.25Å; H69-A199 WeakPolarHBondContact ND1-CB 3.43Å; H69-D200 PolarHBondContact CE1-N 3.43Å; H69-D200 PolarHBondContact CE1-O 3.06Å; H69-D200 PolarHBondContact NE2-O 2.82Å |
| 70 | F | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.9 | -174.6 | 176.5 | -89.8 | 0 | 0 | 0 | 111 | S55 F58 Q59 N62 T68 M73 F79 | S55-F70 WeakPolarHBondContact OG-CE2 3.49Å; F58-F70 HydrophobicContact CB-CB 3.49Å; F58-F70 VanDerWaalsContact CB-CB 3.49Å; F58-F70 HydrophobicContact CB-CD1 4.08Å; F58-F70 HydrophobicContact CB-CD2 4.12Å; F58-F70 HydrophobicContact CB-CG 3.65Å; F58-F70 HydrophobicContact CD2-CB 3.61Å; F58-F70 HydrophobicContact CD2-CD2 4.06Å; F58-F70 HydrophobicContact CD2-CG 4.12Å; F58-F70 HydrophobicContact CG-CB 3.83Å; F58-F70 HydrophobicContact CG-CG 4.34Å; Q59-F70 HydrophobicContact CG-CD1 4.39Å; Q59-F70 HydrophobicContact CG-CE1 3.53Å; Q59-F70 HydrophobicContact CG-CZ 3.98Å; N62-F70 PolarHBondContact ND2-O 3.3Å; T68-F70 PolarHBondContact O-N 3.2Å; T68-F70 WeakPolarHBondContact OG1-CB 3.3Å; T68-F70 PolarHBondContact OG1-N 3.11Å; F70-M73 HydrophobicContact CZ-CB 4.45Å; F70-M73 VanDerWaalsContact CZ-N 3.26Å; F70-F79 HydrophobicContact CD2-CB 4.19Å; F70-F79 AromaticContact CD2-CD2 3.52Å; F70-F79 HydrophobicContact CD2-CD2 3.52Å; F70-F79 HydrophobicContact CD2-CE2 4.07Å; F70-F79 HydrophobicContact CD2-CG 4.02Å; F70-F79 HydrophobicContact CE2-CB 3.74Å; F70-F79 AromaticContact CE2-CD2 3.99Å; F70-F79 HydrophobicContact CE2-CD2 3.99Å; F70-F79 HydrophobicContact CE2-CG 4.04Å |
| 71 | V | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -59.3 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | Y23 I80 L82 | Y23-V71 HydrophobicContact CD1-CG2 3.83Å; Y23-V71 HydrophobicContact CE1-CG2 3.78Å; V71-I80 HydrophobicContact CB-CB 4.43Å; V71-I80 HydrophobicContact CB-CG2 4.07Å; V71-I80 WeakPolarHBondContact CB-O 3.47Å; V71-I80 HydrophobicContact CG1-CG2 4.48Å; V71-I80 HydrophobicContact CG2-CG2 4.35Å; V71-I80 PolarHBondContact N-O 2.9Å; V71-L82 HydrophobicContact CG2-CG 4.31Å |
| 72 | K | 98.1 | Very high | 97.5 | Very high | 118 Ų | 118 | 44.6 Ų | 44.6 | 51% | 0.513 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 155.5 | 177.7 | 64.1 | -179.5 | -177.7 | -178.9 | 0 | 111.9 | I80 | K72-I80 HydrophobicContact CG-CB 4.35Å; K72-I80 HydrophobicContact CG-CD1 4.24Å; K72-I80 PolarHBondContact N-O 2.78Å; K72-I80 PolarHBondContact O-N 2.88Å |
| 73 | M | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 30% | 0.3 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.7 | 165.8 | -171.2 | -174.9 | -68.3 | 0 | 0 | 108.6 | V52 S55 F70 S75 | V52-M73 HydrophobicContact CB-CE 4.43Å; V52-M73 HydrophobicContact CG1-CE 4.48Å; V52-M73 HydrophobicContact CG2-CE 4.12Å; S55-M73 WeakPolarHBondContact OG-CE 3.45Å; F70-M73 HydrophobicContact CZ-CB 4.45Å; F70-M73 VanDerWaalsContact CZ-N 3.26Å; M73-S75 WeakPolarHBondContact CG-O 3.27Å |
| 74 | H | 97.5 | Very high | 97.5 | Very high | 80 Ų | 80 | 47 Ų | 47 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | trans | -102.3 | -46.1 | -179 | -176.7 | 48.7 | 0 | 0 | 0 | 112 | M1 L25 E78 I80 | M1-H74 WeakPolarHBondContact CE-NE2 3.3Å; M1-H74 PolarHBondContact SD-NE2 3.44Å; M1-H74 VanDerWaalsContact SD-NE2 3.45Å; L25-H74 HydrophobicContact CD1-CB 3.82Å; H74-E78 HydrophobicContact CB-CB 4.32Å; H74-E78 IonicContact CD2-OE2 2.68Å; H74-E78 PolarHBondContact N-O 3.3Å; H74-I80 HydrophobicContact CB-CD1 4.32Å; H74-I80 HydrophobicContact CB-CG1 4.14Å | ||
| 75 | S | 97.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 50 Ų | 50 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -145.3 | -176.4 | 178.3 | 73.8 | 0 | 0 | 0 | 0 | 109.3 | N51 M73 T77 E78 | N51-S75 PolarHBondContact ND2-O 2.92Å; M73-S75 WeakPolarHBondContact CG-O 3.27Å; S75-T77 PolarHBondContact O-N 3.45Å; S75-T77 PolarHBondContact OG-N 2.93Å; S75-E78 PolarHBondContact N-O 2.76Å; S75-E78 VanDerWaalsContact O-O 3.11Å; S75-E78 VanDerWaalsContact OG-CB 3.31Å; S75-E78 WeakPolarHBondContact OG-CB 3.4Å; S75-E78 PolarHBondContact OG-N 3.13Å; S75-E78 VanDerWaalsContact OG-N 3.17Å; S75-E78 PolarHBondContact OG-OE2 3.23Å |
| 76 | N | 96.5 | Very high | 97.6 | Very high | 108 Ų | 108 | 51.3 Ų | 51.3 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -62.2 | -26.4 | 177.3 | -80.5 | -13.7 | 0 | 0 | 0 | 113.1 | H48 N51 | H48-N76 VanDerWaalsContact CA-O 3.31Å; H48-N76 WeakPolarHBondContact CA-O 3.4Å; H48-N76 WeakPolarHBondContact ND1-CB 3.42Å; H48-N76 PolarHBondContact ND1-O 3.1Å; H48-N76 VanDerWaalsContact ND1-O 3.15Å; N51-N76 VanDerWaalsContact ND2-C 3.26Å; N51-N76 PolarHBondContact ND2-O 2.79Å |
| 77 | T | 98.2 | Very high | 97.7 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 27% | 0.27 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -118.4 | 0.6 | -175.9 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | S28 A47 H48 N51 S75 | S28-T77 PolarHBondContact N-O 3.32Å; A47-T77 HydrophobicContact CB-CG2 3.7Å; H48-T77 HydrophobicContact CB-CG2 4.39Å; N51-T77 VanDerWaalsContact CG-C 3.41Å; S75-T77 PolarHBondContact O-N 3.45Å; S75-T77 PolarHBondContact OG-N 2.93Å |
| 78 | E | 98.3 | Very high | 97.8 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.2 | -176.2 | -58.9 | 155.3 | 160.2 | 0 | 0 | 113.2 | L25 V26 Q27 N51 H74 S75 | L25-E78 HydrophobicContact CD1-CB 3.95Å; L25-E78 HydrophobicContact CD2-CB 4.26Å; L25-E78 HydrophobicContact CD2-CG 4.1Å; L25-E78 HydrophobicContact CG-CB 4.05Å; L25-E78 HydrophobicContact CG-CG 4.33Å; V26-E78 VanDerWaalsContact O-CA 3.23Å; V26-E78 WeakPolarHBondContact O-CA 3.49Å; Q27-E78 HydrophobicContact CB-CG 3.86Å; Q27-E78 HydrophobicContact CG-CG 3.82Å; Q27-E78 PolarHBondContact NE2-OE1 2.81Å; N51-E78 VanDerWaalsContact CG-N 3.34Å; N51-E78 PolarHBondContact ND2-N 3.23Å; N51-E78 PolarHBondContact ND2-O 3.49Å; N51-E78 PolarHBondContact OD1-N 3.39Å; N51-E78 PolarHBondContact OD1-O 3.27Å; H74-E78 HydrophobicContact CB-CB 4.32Å; H74-E78 IonicContact CD2-OE2 2.68Å; H74-E78 PolarHBondContact N-O 3.3Å; S75-E78 PolarHBondContact N-O 2.76Å; S75-E78 VanDerWaalsContact O-O 3.11Å; S75-E78 VanDerWaalsContact OG-CB 3.31Å; S75-E78 WeakPolarHBondContact OG-CB 3.4Å; S75-E78 PolarHBondContact OG-N 3.13Å; S75-E78 VanDerWaalsContact OG-N 3.17Å; S75-E78 PolarHBondContact OG-OE2 3.23Å |
| 79 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.1 | 167.7 | 73.3 | -90.1 | 0 | 0 | 0 | 111.9 | V26 N51 T54 H69 F70 A81 V201 | V26-F79 HydrophobicContact CB-CD1 3.8Å; V26-F79 HydrophobicContact CB-CD2 4.32Å; V26-F79 HydrophobicContact CB-CE1 3.45Å; V26-F79 VanDerWaalsContact CB-CE1 3.45Å; V26-F79 HydrophobicContact CB-CE2 4.01Å; V26-F79 HydrophobicContact CB-CG 4.25Å; V26-F79 HydrophobicContact CB-CZ 3.57Å; V26-F79 HydrophobicContact CG1-CD1 4.12Å; V26-F79 HydrophobicContact CG1-CE1 3.4Å; V26-F79 HydrophobicContact CG1-CZ 3.68Å; V26-F79 HydrophobicContact CG2-CD2 4.31Å; V26-F79 HydrophobicContact CG2-CE1 4.05Å; V26-F79 HydrophobicContact CG2-CE2 3.74Å; V26-F79 HydrophobicContact CG2-CZ 3.6Å; V26-F79 PolarHBondContact N-O 2.99Å; V26-F79 PolarHBondContact O-N 3.33Å; N51-F79 WeakPolarHBondContact OD1-CD1 3.33Å; N51-F79 PolarHBondContact OD1-N 3.3Å; T54-F79 HydrophobicContact CG2-CE1 4.01Å; T54-F79 HydrophobicContact CG2-CZ 4.2Å; H69-F79 AromaticContact NE2-CE2 3.65Å; H69-F79 AromaticContact NE2-CZ 3.85Å; F70-F79 HydrophobicContact CD2-CB 4.19Å; F70-F79 AromaticContact CD2-CD2 3.52Å; F70-F79 HydrophobicContact CD2-CD2 3.52Å; F70-F79 HydrophobicContact CD2-CE2 4.07Å; F70-F79 HydrophobicContact CD2-CG 4.02Å; F70-F79 HydrophobicContact CE2-CB 3.74Å; F70-F79 AromaticContact CE2-CD2 3.99Å; F70-F79 HydrophobicContact CE2-CD2 3.99Å; F70-F79 HydrophobicContact CE2-CG 4.04Å; F79-A81 HydrophobicContact CD2-CB 4.03Å; F79-A81 HydrophobicContact CE2-CB 3.59Å; F79-V201 HydrophobicContact CE1-CG1 4.09Å; F79-V201 HydrophobicContact CZ-CG1 4.29Å |
| 80 | I | 98.4 | Very high | 97.8 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.6 | 174.2 | -65.5 | 165.8 | 0 | 0 | 0 | 108.6 | I18 Y23 V24 L25 V71 K72 H74 | I18-I80 HydrophobicContact CD1-CD1 4.45Å; I18-I80 HydrophobicContact CD1-CG1 4.1Å; I18-I80 HydrophobicContact CD1-CG2 4.12Å; Y23-I80 HydrophobicContact CD2-CG2 4.45Å; Y23-I80 HydrophobicContact CG-CG2 4.02Å; V24-I80 WeakPolarHBondContact O-CA 3.47Å; L25-I80 HydrophobicContact CD1-CG1 3.84Å; V71-I80 HydrophobicContact CB-CB 4.43Å; V71-I80 HydrophobicContact CB-CG2 4.07Å; V71-I80 WeakPolarHBondContact CB-O 3.47Å; V71-I80 HydrophobicContact CG1-CG2 4.48Å; V71-I80 HydrophobicContact CG2-CG2 4.35Å; V71-I80 PolarHBondContact N-O 2.9Å; K72-I80 HydrophobicContact CG-CB 4.35Å; K72-I80 HydrophobicContact CG-CD1 4.24Å; K72-I80 PolarHBondContact N-O 2.78Å; K72-I80 PolarHBondContact O-N 2.88Å; H74-I80 HydrophobicContact CB-CD1 4.32Å; H74-I80 HydrophobicContact CB-CG1 4.14Å |
| 81 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y23 V24 V26 H69 F79 | Y23-A81 CarbonylContact C-O 3.49Å; Y23-A81 WeakPolarHBondContact CA-O 2.89Å; Y23-A81 WeakPolarHBondContact CB-O 3.13Å; V24-A81 HydrophobicContact CG2-CB 4.2Å; V24-A81 PolarHBondContact N-O 3.07Å; V24-A81 PolarHBondContact O-N 2.95Å; V26-A81 HydrophobicContact CG2-CB 4.19Å; H69-A81 CarbonylContact O-C 3.55Å; H69-A81 WeakPolarHBondContact O-CA 3.37Å; H69-A81 WeakPolarHBondContact O-CB 3.42Å; F79-A81 HydrophobicContact CD2-CB 4.03Å; F79-A81 HydrophobicContact CE2-CB 3.59Å |
| 82 | L | 97.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 132.3 | 165 | -69.7 | 170.1 | 0 | 0 | 0 | 109.8 | Y23 H69 V71 C84 I197 | Y23-L82 HydrophobicContact CD1-CD2 3.91Å; Y23-L82 HydrophobicContact CE1-CD2 3.54Å; Y23-L82 HydrophobicContact CE1-CG 4.45Å; H69-L82 HydrophobicContact CB-CB 4.2Å; H69-L82 PolarHBondContact O-N 2.86Å; V71-L82 HydrophobicContact CG2-CG 4.31Å; L82-C84 PolarHBondContact O-N 3.28Å; L82-C84 PolarHBondContact O-SG 3.39Å; L82-I197 HydrophobicContact CD1-CD1 4.06Å |
| 83 | R | 96.4 | Very high | 97.9 | Very high | 115 Ų | 115 | 36.1 Ų | 36.1 | 43% | 0.434 | 19% | 0.188 | S | C | . | . | trans | -67.8 | 118.3 | 177.6 | -173.8 | 175 | 176.4 | -173.5 | -1.8 | 110 | D22 V24 H190 A191 | D22-R83 WeakPolarHBondContact O-CB 3.19Å; D22-R83 PolarHBondContact O-N 3.14Å; V24-R83 HydrophobicContact CG1-CB 3.83Å; V24-R83 HydrophobicContact CG1-CG 3.76Å; R83-H190 PolarHBondContact O-CD2 2.98Å; R83-H190 VanDerWaalsContact O-CD2 3.29Å; R83-A191 HydrophobicContact CG-CB 4.39Å; R83-A191 PolarHBondContact O-N 2.96Å | ||
| 84 | C | 96.6 | Very high | 98 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.3 | 178.8 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | L82 M86 V189 | L82-C84 PolarHBondContact O-N 3.28Å; L82-C84 PolarHBondContact O-SG 3.39Å; C84-M86 HydrophobicContact CB-SD 4.49Å; C84-V189 CarbonylContact C-O 3.45Å; C84-V189 VanDerWaalsContact CA-O 3.24Å; C84-V189 WeakPolarHBondContact CA-O 3.43Å |
| 85 | V | 96.9 | Very high | 98 | Very high | 68 Ų | 68 | 30.7 Ų | 30.7 | 41% | 0.412 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.4 | 160.8 | -173.1 | 0 | 0 | 0 | 0 | 106.9 | V145 G188 V189 | V85-V145 HydrophobicContact CB-CG1 3.88Å; V85-V145 HydrophobicContact CG1-CG1 3.67Å; V85-V145 WeakPolarHBondContact O-CG1 3.38Å; V85-G188 CarbonylContact O-C 3.59Å; V85-G188 VanDerWaalsContact O-CA 3.31Å; V85-G188 WeakPolarHBondContact O-CA 3.46Å; V85-V189 PolarHBondContact N-O 3.26Å; V85-V189 PolarHBondContact O-N 3.18Å |
| 86 | M | 97.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 33% | 0.33 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 139.2 | -172.3 | -62.7 | -56.1 | -64.5 | 0 | 0 | 111.7 | C84 E186 F187 A199 D200 | C84-M86 HydrophobicContact CB-SD 4.49Å; M86-E186 HydrophobicContact CE-CB 3.74Å; M86-F187 WeakPolarHBondContact CE-O 3.34Å; M86-A199 HydrophobicContact CE-CB 3.95Å; M86-A199 HydrophobicContact SD-CB 3.93Å; M86-D200 HydrophobicContact CE-CB 3.87Å |
| 87 | I | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 123.1 | 168 | -60.6 | 171.4 | 0 | 0 | 0 | 106.3 | I89 L143 V145 I150 M158 F187 V189 I196 | I87-I89 HydrophobicContact CG2-CB 4.32Å; I87-I89 HydrophobicContact CG2-CG1 4Å; I87-I89 PolarHBondContact O-N 2.82Å; I87-L143 HydrophobicContact CG2-CD2 4.07Å; I87-V145 HydrophobicContact CG1-CB 4.35Å; I87-V145 HydrophobicContact CG1-CG1 4.25Å; I87-V145 HydrophobicContact CG1-CG2 4.12Å; I87-I150 HydrophobicContact CD1-CD1 3.7Å; I87-I150 HydrophobicContact CD1-CG1 4.45Å; I87-I150 HydrophobicContact CG1-CD1 4.25Å; I87-M158 HydrophobicContact CD1-CE 4.03Å; I87-M158 HydrophobicContact CD1-SD 3.49Å; I87-M158 WeakPolarHBondContact CD1-SD 3.21Å; I87-F187 HydrophobicContact CD1-CB 4.15Å; I87-F187 PolarHBondContact N-O 2.95Å; I87-V189 HydrophobicContact CD1-CG2 4.21Å; I87-V189 HydrophobicContact CG1-CG2 4.24Å; I87-I196 HydrophobicContact CD1-CD1 4.35Å; I87-I196 HydrophobicContact CD1-CG1 4.4Å; I87-I196 HydrophobicContact CD1-CG2 4.11Å |
| 88 | P | 97.7 | Very high | 98.2 | Very high | 35 Ų | 35 | 22.8 Ų | 22.8 | 23% | 0.227 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -77.5 | 50.5 | -171.8 | 33.9 | -38.5 | 0 | 0 | 0 | 112.8 | Y123 K124 L143 | P88-Y123 HydrophobicContact CB-CE2 4.17Å; P88-Y123 HydrophobicContact CG-CE2 3.92Å; P88-Y123 WeakPolarHBondContact O-CD2 3.48Å; P88-K124 HydrophobicContact CB-CB 4.35Å; P88-K124 PolarHBondContact O-N 2.85Å; P88-L143 HydrophobicContact CG-CD2 4.32Å |
| 89 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129 | 179.9 | -57.8 | -68.3 | 0 | 0 | 0 | 109.2 | I87 W91 L121 F122 Y123 W133 L138 | I87-I89 HydrophobicContact CG2-CB 4.32Å; I87-I89 HydrophobicContact CG2-CG1 4Å; I87-I89 PolarHBondContact O-N 2.82Å; I89-W91 HydrophobicContact CB-CZ2 4.28Å; I89-W91 HydrophobicContact CG2-CD2 4.09Å; I89-W91 HydrophobicContact CG2-CG 4.32Å; I89-W91 HydrophobicContact CG2-CZ2 3.92Å; I89-W91 VanDerWaalsContact O-CD1 3.24Å; I89-W91 PolarHBondContact O-NE1 3.39Å; I89-L121 HydrophobicContact CG2-CB 3.96Å; I89-L121 HydrophobicContact CG2-CD2 4.35Å; I89-L121 HydrophobicContact CG2-CG 4.3Å; I89-F122 CarbonylContact C-O 3.41Å; I89-F122 WeakPolarHBondContact CA-O 3.42Å; I89-Y123 HydrophobicContact CD1-CD2 3.98Å; I89-W133 HydrophobicContact CD1-CE3 4Å; I89-W133 HydrophobicContact CD1-CZ3 4.4Å; I89-L138 HydrophobicContact CD1-CD1 3.94Å; I89-L138 HydrophobicContact CD1-CD2 4.39Å; I89-L138 HydrophobicContact CG1-CD1 4Å; I89-L138 HydrophobicContact CG1-CD2 4.09Å |
| 90 | E | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 25.5 Ų | 25.5 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120 | 166.6 | -53.9 | -152.2 | 145.7 | 0 | 0 | 109.4 | L121 F122 K124 K184 | E90-L121 WeakPolarHBondContact O-CA 3.45Å; E90-F122 HydrophobicContact CB-CB 4.16Å; E90-F122 PolarHBondContact N-O 2.81Å; E90-F122 PolarHBondContact O-N 3.45Å; E90-K124 HydrophobicContact CG-CD 4.06Å; E90-K124 HydrophobicContact CG-CG 3.54Å; E90-K124 IonicContact OE1-NZ 2.66Å; E90-K124 PolarHBondContact OE1-NZ 2.78Å; E90-K184 HydrophobicContact CB-CD 3.59Å; E90-K184 HydrophobicContact CB-CG 4Å; E90-K184 HydrophobicContact CG-CD 3.77Å; E90-K184 IonicContact OE1-NZ 3.41Å; E90-K184 PolarHBondContact OE1-NZ 3.3Å; E90-K184 WeakPolarHBondContact OE2-CD 3.48Å; E90-K184 IonicContact OE2-NZ 2.86Å; E90-K184 PolarHBondContact OE2-NZ 2.98Å; E90-K184 VanDerWaalsContact OE2-NZ 3.13Å |
| 91 | W | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 108.1 | 179.9 | -58.1 | 77.6 | 0 | 0 | 0 | 109 | I89 L121 L138 V155 M158 I159 T162 K184 V185 F187 | I89-W91 HydrophobicContact CB-CZ2 4.28Å; I89-W91 HydrophobicContact CG2-CD2 4.09Å; I89-W91 HydrophobicContact CG2-CG 4.32Å; I89-W91 HydrophobicContact CG2-CZ2 3.92Å; I89-W91 VanDerWaalsContact O-CD1 3.24Å; I89-W91 PolarHBondContact O-NE1 3.39Å; W91-L121 HydrophobicContact CE3-CD1 4.49Å; W91-L121 HydrophobicContact CE3-CD2 4.24Å; W91-L121 HydrophobicContact CE3-CG 3.9Å; W91-L121 HydrophobicContact CH2-CD2 3.62Å; W91-L121 HydrophobicContact CH2-CG 4.21Å; W91-L121 HydrophobicContact CZ2-CD2 4.37Å; W91-L121 HydrophobicContact CZ3-CD1 4.2Å; W91-L121 HydrophobicContact CZ3-CD2 3.52Å; W91-L121 HydrophobicContact CZ3-CG 3.66Å; W91-L138 HydrophobicContact CH2-CD2 3.83Å; W91-L138 HydrophobicContact CZ2-CD2 3.99Å; W91-V155 HydrophobicContact CH2-CG1 4.16Å; W91-M158 HydrophobicContact CD2-CB 4.14Å; W91-M158 HydrophobicContact CE3-CB 4.13Å; W91-M158 HydrophobicContact CH2-CB 3.53Å; W91-M158 HydrophobicContact CH2-CE 3.85Å; W91-M158 HydrophobicContact CH2-CG 4.43Å; W91-M158 HydrophobicContact CH2-SD 4.2Å; W91-M158 HydrophobicContact CZ2-CB 3.53Å; W91-M158 HydrophobicContact CZ2-CE 3.44Å; W91-M158 VanDerWaalsContact CZ2-CE 3.44Å; W91-M158 HydrophobicContact CZ2-CG 4.07Å; W91-M158 HydrophobicContact CZ2-SD 3.4Å; W91-M158 WeakPolarHBondContact CZ2-SD 3.35Å; W91-M158 HydrophobicContact CZ3-CB 3.85Å; W91-I159 HydrophobicContact CE3-CG1 4.26Å; W91-I159 HydrophobicContact CZ3-CG1 3.61Å; W91-T162 HydrophobicContact CB-CG2 3.95Å; W91-T162 WeakPolarHBondContact CB-OG1 3.43Å; W91-K184 CarbonylContact O-C 3.58Å; W91-K184 WeakPolarHBondContact O-CA 3.48Å; W91-V185 HydrophobicContact CB-CG2 3.99Å; W91-V185 PolarHBondContact N-O 3.12Å; W91-V185 PolarHBondContact O-N 3.45Å; W91-F187 HydrophobicContact CB-CE2 4.27Å; W91-F187 AromaticContact CD1-CD2 3.43Å; W91-F187 VanDerWaalsContact CD1-CD2 3.43Å; W91-F187 AromaticContact CD1-CE2 3.74Å; W91-F187 HydrophobicContact CD2-CD2 4.28Å; W91-F187 HydrophobicContact CD2-CE2 4.12Å; W91-F187 AromaticContact CG-CD2 3.93Å; W91-F187 HydrophobicContact CG-CD2 3.93Å; W91-F187 AromaticContact CG-CE2 3.76Å; W91-F187 HydrophobicContact CG-CE2 3.76Å; W91-F187 AromaticContact NE1-CD2 3.46Å |
| 92 | V | 98.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.3 | -175.5 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | R94 V119 E120 F122 M183 K184 | V92-R94 HydrophobicContact CG1-CG 4.11Å; V92-V119 CarbonylContact O-C 3.59Å; V92-V119 VanDerWaalsContact O-CA 3.29Å; V92-V119 WeakPolarHBondContact O-CA 3.48Å; V92-E120 HydrophobicContact CB-CB 4.5Å; V92-E120 PolarHBondContact N-O 3.07Å; V92-E120 PolarHBondContact O-N 2.91Å; V92-F122 HydrophobicContact CB-CD2 4.33Å; V92-F122 HydrophobicContact CB-CE2 3.86Å; V92-F122 HydrophobicContact CG2-CD2 3.64Å; V92-F122 HydrophobicContact CG2-CE2 3.57Å; V92-M183 CarbonylContact C-O 3.29Å; V92-M183 VanDerWaalsContact CA-O 3.26Å; V92-M183 WeakPolarHBondContact CA-O 3.47Å; V92-K184 HydrophobicContact CG2-CB 4.21Å; V92-K184 HydrophobicContact CG2-CG 4.28Å |
| 93 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K118 T162 F166 D182 M183 | A93-K118 CarbonylContact C-O 3.59Å; A93-K118 VanDerWaalsContact CA-O 3.26Å; A93-K118 WeakPolarHBondContact CA-O 3.17Å; A93-T162 HydrophobicContact CB-CG2 4.03Å; A93-F166 HydrophobicContact CB-CB 3.54Å; A93-F166 HydrophobicContact CB-CD1 4.43Å; A93-F166 HydrophobicContact CB-CD2 3.57Å; A93-F166 HydrophobicContact CB-CE2 4.44Å; A93-F166 HydrophobicContact CB-CG 3.56Å; A93-D182 CarbonylContact O-C 3.53Å; A93-D182 WeakPolarHBondContact O-CA 3.45Å; A93-D182 WeakPolarHBondContact O-CB 3.11Å; A93-M183 HydrophobicContact CB-CG 4.46Å; A93-M183 PolarHBondContact N-O 3Å; A93-M183 PolarHBondContact O-N 3.25Å |
| 94 | R | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.6 | 178.8 | -48 | -168.4 | -172.2 | -84.4 | -5.6 | 112 | V92 S100 F114 P117 K118 E120 D182 | V92-R94 HydrophobicContact CG1-CG 4.11Å; R94-S100 PolarHBondContact NH2-OG 2.78Å; R94-F114 HydrophobicContact CB-CD2 3.95Å; R94-F114 HydrophobicContact CB-CE2 4.07Å; R94-P117 CarbonylContact O-C 3.52Å; R94-P117 VanDerWaalsContact O-CA 3.32Å; R94-P117 WeakPolarHBondContact O-CA 3.2Å; R94-K118 HydrophobicContact CB-CB 4.47Å; R94-K118 PolarHBondContact N-O 2.68Å; R94-K118 PolarHBondContact O-N 2.63Å; R94-E120 IonicContact CZ-OE2 3.56Å; R94-E120 VanDerWaalsContact CZ-OE2 3.24Å; R94-E120 IonicContact NE-OE2 3.58Å; R94-E120 PolarHBondContact NE-OE2 3.3Å; R94-E120 IonicContact NH2-OE2 2.74Å; R94-E120 PolarHBondContact NH2-OE2 3.2Å; R94-D182 HydrophobicContact CB-CB 4.12Å; R94-D182 HydrophobicContact CG-CB 3.82Å; R94-D182 IonicContact NH1-OD2 3.56Å; R94-D182 PolarHBondContact NH1-OD2 2.74Å |
| 95 | R | 98.8 | Very high | 98 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -41.9 | 161.5 | -178.8 | 60.3 | 71.6 | -168.8 | 2 | 111.9 | R113 F114 F166 E170 V181 | R95-R113 HydrophobicContact CG-CG 4.24Å; R95-R113 VanDerWaalsContact CG-NH1 3.35Å; R95-R113 CarbonylContact O-C 3.58Å; R95-R113 WeakPolarHBondContact O-CA 3.2Å; R95-F114 VanDerWaalsContact CD-O 3.3Å; R95-F114 WeakPolarHBondContact CD-O 3.46Å; R95-F114 PolarHBondContact NH1-O 3.09Å; R95-F114 PolarHBondContact O-N 2.92Å; R95-F166 HydrophobicContact CB-CE1 3.81Å; R95-F166 HydrophobicContact CB-CZ 3.56Å; R95-E170 VanDerWaalsContact CG-OE1 3.3Å; R95-E170 WeakPolarHBondContact CG-OE1 3.48Å; R95-E170 IonicContact CZ-OE1 2.83Å; R95-E170 IonicContact CZ-OE2 2.99Å; R95-E170 IonicContact NE-OE1 3.83Å; R95-E170 PolarHBondContact NE-OE1 3.05Å; R95-E170 IonicContact NE-OE2 3.65Å; R95-E170 PolarHBondContact NE-OE2 2.78Å; R95-E170 IonicContact NH2-OE1 3.2Å; R95-E170 IonicContact NH2-OE2 3.14Å; R95-E170 PolarHBondContact NH2-OE2 3.06Å; R95-V181 PolarHBondContact N-O 2.67Å |
| 96 | L | 98.7 | Very high | 98 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.4 | 179.9 | -47.8 | 175.7 | 0 | 0 | 0 | 110.9 | T98 Y112 R113 T179 V181 W210 | L96-T98 PolarHBondContact O-N 3.03Å; L96-Y112 CarbonylContact C-O 3.49Å; L96-Y112 VanDerWaalsContact CA-O 3.28Å; L96-Y112 WeakPolarHBondContact CA-O 3.32Å; L96-R113 HydrophobicContact CD2-CB 3.96Å; L96-R113 HydrophobicContact CD2-CG 4.03Å; L96-T179 HydrophobicContact CD1-CG2 4.36Å; L96-V181 HydrophobicContact CB-CG1 4.14Å; L96-V181 HydrophobicContact CD1-CG2 4.36Å; L96-V181 PolarHBondContact N-O 3.43Å; L96-W210 HydrophobicContact CD1-CE3 4.31Å; L96-W210 HydrophobicContact CD1-CZ3 3.76Å |
| 97 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -70.8 | 118.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | F101 L102 V108 D110 G111 Y112 F114 | A97-F101 HydrophobicContact CB-CD1 3.67Å; A97-F101 HydrophobicContact CB-CE1 4.01Å; A97-L102 HydrophobicContact CB-CD2 3.89Å; A97-V108 HydrophobicContact CB-CG1 3.91Å; A97-D110 VanDerWaalsContact O-OD1 3.05Å; A97-G111 PolarHBondContact O-N 3.03Å; A97-Y112 PolarHBondContact N-O 2.72Å; A97-F114 HydrophobicContact CB-CE2 3.9Å; A97-F114 HydrophobicContact CB-CZ 3.91Å | ||
| 98 | T | 98 | Very high | 97.9 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | trans | -157.9 | 178.5 | 170.8 | -152.9 | 0 | 0 | 0 | 0 | 109.9 | L96 S100 F101 D110 V181 W210 K215 | L96-T98 PolarHBondContact O-N 3.03Å; T98-S100 PolarHBondContact O-N 2.85Å; T98-F101 WeakPolarHBondContact O-CB 3.31Å; T98-F101 PolarHBondContact O-N 3.25Å; T98-D110 VanDerWaalsContact CB-OD1 3.22Å; T98-D110 WeakPolarHBondContact CB-OD1 3.38Å; T98-D110 PolarHBondContact OG1-OD1 3.41Å; T98-V181 HydrophobicContact CG2-CG1 3.79Å; T98-W210 HydrophobicContact CG2-CH2 4.49Å; T98-W210 HydrophobicContact CG2-CZ2 4.27Å; T98-K215 PolarHBondContact OG1-NZ 3.49Å | ||
| 99 | G | 95.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | -132.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114 | F101 L102 | G99-F101 PolarHBondContact O-N 3.5Å; G99-L102 PolarHBondContact O-N 2.89Å |
| 100 | S | 95.9 | Very high | 97.9 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -19.7 | -176.2 | 62.2 | 0 | 0 | 0 | 0 | 114 | R94 T98 K103 R104 | R94-S100 PolarHBondContact NH2-OG 2.78Å; T98-S100 PolarHBondContact O-N 2.85Å; S100-K103 PolarHBondContact O-N 3.29Å; S100-R104 PolarHBondContact O-N 3.29Å; S100-R104 PolarHBondContact O-NE 3.47Å |
| 101 | F | 98.2 | Very high | 97.8 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 174.8 | -175.2 | -85.3 | 0 | 0 | 0 | 111.4 | A97 T98 G99 K103 R104 N105 V108 F114 E120 | A97-F101 HydrophobicContact CB-CD1 3.67Å; A97-F101 HydrophobicContact CB-CE1 4.01Å; T98-F101 WeakPolarHBondContact O-CB 3.31Å; T98-F101 PolarHBondContact O-N 3.25Å; G99-F101 PolarHBondContact O-N 3.5Å; F101-K103 VanDerWaalsContact C-N 3.3Å; F101-K103 PolarHBondContact O-N 3.4Å; F101-R104 PolarHBondContact O-N 3.38Å; F101-N105 HydrophobicContact CD1-CB 4.28Å; F101-N105 HydrophobicContact CE1-CB 3.8Å; F101-N105 HydrophobicContact CZ-CB 4.2Å; F101-N105 WeakPolarHBondContact CZ-ND2 3.23Å; F101-N105 WeakPolarHBondContact O-CB 3.42Å; F101-N105 PolarHBondContact O-N 2.97Å; F101-N105 PolarHBondContact O-ND2 2.87Å; F101-V108 HydrophobicContact CE1-CB 4.15Å; F101-V108 HydrophobicContact CE1-CG1 3.99Å; F101-V108 HydrophobicContact CE1-CG2 4.12Å; F101-F114 HydrophobicContact CD1-CZ 4.06Å; F101-F114 HydrophobicContact CD2-CZ 4.09Å; F101-F114 HydrophobicContact CE1-CE1 4.32Å; F101-F114 AromaticContact CE1-CZ 3.62Å; F101-F114 HydrophobicContact CE1-CZ 3.62Å; F101-F114 HydrophobicContact CE2-CE1 4.15Å; F101-F114 AromaticContact CE2-CZ 3.64Å; F101-F114 HydrophobicContact CE2-CZ 3.64Å; F101-F114 HydrophobicContact CG-CZ 4.29Å; F101-F114 AromaticContact CZ-CE1 3.79Å; F101-F114 HydrophobicContact CZ-CE1 3.79Å; F101-F114 AromaticContact CZ-CZ 3.4Å; F101-F114 HydrophobicContact CZ-CZ 3.4Å; F101-E120 WeakPolarHBondContact CD2-OE1 3.45Å |
| 102 | L | 98 | Very high | 97.8 | Very high | 40 Ų | 40 | 54.8 Ų | 54.8 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -32.7 | -179.4 | -58.4 | 179 | 0 | 0 | 0 | 112 | A97 G99 N105 P106 V108 D110 | A97-L102 HydrophobicContact CB-CD2 3.89Å; G99-L102 PolarHBondContact O-N 2.89Å; L102-N105 CarbonylContact O-C 3.44Å; L102-N105 PolarHBondContact O-N 2.96Å; L102-P106 WeakPolarHBondContact O-CA 3.32Å; L102-V108 HydrophobicContact CD2-CB 4.4Å; L102-V108 HydrophobicContact CD2-CG1 4.34Å; L102-V108 WeakPolarHBondContact CD2-O 3.17Å; L102-D110 HydrophobicContact CD1-CB 3.64Å |
| 103 | K | 96.5 | Very high | 97.8 | Very high | 185 Ų | 185 | 60.6 Ų | 60.6 | 80% | 0.804 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 174.3 | -64.9 | -174 | 179.5 | -175.9 | 0 | 112.2 | S100 F101 | S100-K103 PolarHBondContact O-N 3.29Å; F101-K103 VanDerWaalsContact C-N 3.3Å; F101-K103 PolarHBondContact O-N 3.4Å |
| 104 | R | 97.5 | Very high | 97.8 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 30% | 0.302 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -78.2 | -21.9 | 176.7 | -71.6 | -180 | -70.2 | 127.1 | 3.4 | 112.8 | S100 F101 E120 E132 | S100-R104 PolarHBondContact O-N 3.29Å; S100-R104 PolarHBondContact O-NE 3.47Å; F101-R104 PolarHBondContact O-N 3.38Å; R104-E120 IonicContact CZ-OE1 3.88Å; R104-E120 VanDerWaalsContact CZ-OE1 3.28Å; R104-E120 IonicContact CZ-OE2 3.7Å; R104-E120 IonicContact NH1-OE1 3.57Å; R104-E120 PolarHBondContact NH1-OE1 3.41Å; R104-E120 IonicContact NH2-OE1 2.72Å; R104-E120 PolarHBondContact NH2-OE1 2.84Å; R104-E120 IonicContact NH2-OE2 3.53Å; R104-E120 PolarHBondContact NH2-OE2 2.92Å; R104-E132 IonicContact CZ-OE2 3.06Å; R104-E132 IonicContact NE-OE2 3.59Å; R104-E132 IonicContact NH1-OE1 2.8Å; R104-E132 PolarHBondContact NH1-OE1 3.2Å; R104-E132 IonicContact NH1-OE2 2.63Å; R104-E132 PolarHBondContact NH1-OE2 2.95Å |
| 105 | N | 98.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | trans | -130.3 | 71.9 | -175 | -59 | -88.5 | 0 | 0 | 0 | 110.5 | F101 L102 N107 V108 | F101-N105 HydrophobicContact CD1-CB 4.28Å; F101-N105 HydrophobicContact CE1-CB 3.8Å; F101-N105 HydrophobicContact CZ-CB 4.2Å; F101-N105 WeakPolarHBondContact CZ-ND2 3.23Å; F101-N105 WeakPolarHBondContact O-CB 3.42Å; F101-N105 PolarHBondContact O-N 2.97Å; F101-N105 PolarHBondContact O-ND2 2.87Å; L102-N105 CarbonylContact O-C 3.44Å; L102-N105 PolarHBondContact O-N 2.96Å; N105-N107 PolarHBondContact O-N 2.86Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 3.84Å; N105-V108 PolarHBondContact O-N 3.44Å | ||
| 106 | P | 96.7 | Very high | 97.7 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 69% | 0.688 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | -169.1 | 25.4 | -35.6 | 0 | 0 | 0 | 114.7 | L102 | L102-P106 WeakPolarHBondContact O-CA 3.32Š|
| 107 | N | 97.4 | Very high | 97.7 | Very high | 162 Ų | 162 | 67.8 Ų | 67.8 | 87% | 0.866 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.5 | 178.8 | -61 | -34.3 | 0 | 0 | 0 | 113.4 | N105 | N105-N107 PolarHBondContact O-N 2.86Š|
| 108 | V | 98 | Very high | 97.7 | Very high | 46 Ų | 46 | 72 Ų | 72 | 28% | 0.279 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -96.3 | 136.4 | 178.4 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | A97 F101 L102 N105 Y112 | A97-V108 HydrophobicContact CB-CG1 3.91Å; F101-V108 HydrophobicContact CE1-CB 4.15Å; F101-V108 HydrophobicContact CE1-CG1 3.99Å; F101-V108 HydrophobicContact CE1-CG2 4.12Å; L102-V108 HydrophobicContact CD2-CB 4.4Å; L102-V108 HydrophobicContact CD2-CG1 4.34Å; L102-V108 WeakPolarHBondContact CD2-O 3.17Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 3.84Å; N105-V108 PolarHBondContact O-N 3.44Å; V108-Y112 HydrophobicContact CG1-CD1 4.37Å; V108-Y112 HydrophobicContact CG1-CG 3.98Å |
| 109 | S | 97.6 | Very high | 97.7 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 144.4 | 176.2 | 50 | 0 | 0 | 0 | 0 | 112.3 | G111 Y112 | S109-G111 PolarHBondContact O-N 2.6Å; S109-Y112 WeakPolarHBondContact O-CB 2.96Å; S109-Y112 PolarHBondContact O-N 2.85Å; S109-Y112 VanDerWaalsContact O-N 3.16Å |
| 110 | D | 97.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 71.7 Ų | 71.7 | 43% | 0.428 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132.2 | 168.4 | -163.3 | 13.9 | 0 | 0 | 0 | 109.4 | A97 T98 L102 K215 | A97-D110 VanDerWaalsContact O-OD1 3.05Å; T98-D110 VanDerWaalsContact CB-OD1 3.22Å; T98-D110 WeakPolarHBondContact CB-OD1 3.38Å; T98-D110 PolarHBondContact OG1-OD1 3.41Å; L102-D110 HydrophobicContact CD1-CB 3.64Å; D110-K215 IonicContact OD1-NZ 2.72Å; D110-K215 IonicContact OD2-NZ 2.68Å; D110-K215 PolarHBondContact OD2-NZ 3.32Å |
| 111 | G | 97 | Very high | 98 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 0.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A97 S109 R113 | A97-G111 PolarHBondContact O-N 3.03Å; S109-G111 PolarHBondContact O-N 2.6Å; G111-R113 PolarHBondContact O-N 2.83Å |
| 112 | Y | 98.4 | Very high | 98 | Very high | 124 Ų | 124 | 70.1 Ų | 70.1 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 128 | 173 | 174.5 | -88 | 0 | 0 | 0 | 111 | L96 A97 V108 S109 F114 | L96-Y112 CarbonylContact C-O 3.49Å; L96-Y112 VanDerWaalsContact CA-O 3.28Å; L96-Y112 WeakPolarHBondContact CA-O 3.32Å; A97-Y112 PolarHBondContact N-O 2.72Å; V108-Y112 HydrophobicContact CG1-CD1 4.37Å; V108-Y112 HydrophobicContact CG1-CG 3.98Å; S109-Y112 WeakPolarHBondContact O-CB 2.96Å; S109-Y112 PolarHBondContact O-N 2.85Å; S109-Y112 VanDerWaalsContact O-N 3.16Å; Y112-F114 HydrophobicContact CD1-CD1 4.02Å; Y112-F114 AromaticContact CD1-CE1 3.72Å; Y112-F114 HydrophobicContact CD1-CE1 3.72Å; Y112-F114 AromaticContact CD1-CZ 4Å; Y112-F114 HydrophobicContact CD1-CZ 4Å; Y112-F114 AromaticContact CE1-CD1 3.69Å; Y112-F114 HydrophobicContact CE1-CD1 3.69Å; Y112-F114 AromaticContact CE1-CE1 3.67Å; Y112-F114 HydrophobicContact CE1-CE1 3.67Å; Y112-F114 HydrophobicContact CE1-CG 4.43Å; Y112-F114 HydrophobicContact CE1-CZ 4.4Å |
| 113 | R | 98.6 | Very high | 98 | Very high | 134 Ų | 134 | 71.4 Ų | 71.4 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.9 | -173.9 | -170.8 | 177.5 | -177.5 | 83.3 | 2.7 | 112.1 | R95 L96 G111 E170 | R95-R113 HydrophobicContact CG-CG 4.24Å; R95-R113 VanDerWaalsContact CG-NH1 3.35Å; R95-R113 CarbonylContact O-C 3.58Å; R95-R113 WeakPolarHBondContact O-CA 3.2Å; L96-R113 HydrophobicContact CD2-CB 3.96Å; L96-R113 HydrophobicContact CD2-CG 4.03Å; G111-R113 PolarHBondContact O-N 2.83Å; R113-E170 IonicContact NH2-OE1 3.24Å |
| 114 | F | 98.8 | Very high | 98 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 10% | 0.101 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.1 | 170.9 | -57.2 | -72.1 | 0 | 0 | 0 | 111.1 | R94 R95 A97 F101 Y112 P116 K118 | R94-F114 HydrophobicContact CB-CD2 3.95Å; R94-F114 HydrophobicContact CB-CE2 4.07Å; R95-F114 VanDerWaalsContact CD-O 3.3Å; R95-F114 WeakPolarHBondContact CD-O 3.46Å; R95-F114 PolarHBondContact NH1-O 3.09Å; R95-F114 PolarHBondContact O-N 2.92Å; A97-F114 HydrophobicContact CB-CE2 3.9Å; A97-F114 HydrophobicContact CB-CZ 3.91Å; F101-F114 HydrophobicContact CD1-CZ 4.06Å; F101-F114 HydrophobicContact CD2-CZ 4.09Å; F101-F114 HydrophobicContact CE1-CE1 4.32Å; F101-F114 AromaticContact CE1-CZ 3.62Å; F101-F114 HydrophobicContact CE1-CZ 3.62Å; F101-F114 HydrophobicContact CE2-CE1 4.15Å; F101-F114 AromaticContact CE2-CZ 3.64Å; F101-F114 HydrophobicContact CE2-CZ 3.64Å; F101-F114 HydrophobicContact CG-CZ 4.29Å; F101-F114 AromaticContact CZ-CE1 3.79Å; F101-F114 HydrophobicContact CZ-CE1 3.79Å; F101-F114 AromaticContact CZ-CZ 3.4Å; F101-F114 HydrophobicContact CZ-CZ 3.4Å; Y112-F114 HydrophobicContact CD1-CD1 4.02Å; Y112-F114 AromaticContact CD1-CE1 3.72Å; Y112-F114 HydrophobicContact CD1-CE1 3.72Å; Y112-F114 AromaticContact CD1-CZ 4Å; Y112-F114 HydrophobicContact CD1-CZ 4Å; Y112-F114 AromaticContact CE1-CD1 3.69Å; Y112-F114 HydrophobicContact CE1-CD1 3.69Å; Y112-F114 AromaticContact CE1-CE1 3.67Å; Y112-F114 HydrophobicContact CE1-CE1 3.67Å; Y112-F114 HydrophobicContact CE1-CG 4.43Å; Y112-F114 HydrophobicContact CE1-CZ 4.4Å; F114-P116 CarbonylContact C-O 3.52Å; F114-P116 VanDerWaalsContact C-O 3.29Å; F114-P116 WeakPolarHBondContact CB-O 3.3Å; F114-K118 HydrophobicContact CB-CB 4.1Å; F114-K118 HydrophobicContact CD1-CB 3.9Å; F114-K118 HydrophobicContact CD2-CB 3.97Å; F114-K118 HydrophobicContact CE1-CB 4.35Å; F114-K118 HydrophobicContact CE2-CB 4.4Å; F114-K118 HydrophobicContact CG-CB 3.71Å |
| 115 | S | 97.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 107.7 | 172.3 | -64.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 116 | P | 97.7 | Very high | 97.4 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -68.2 | 172.4 | 1.9 | 31.9 | -37.5 | 0 | 0 | 0 | 113.4 | F114 K118 | F114-P116 CarbonylContact C-O 3.52Å; F114-P116 VanDerWaalsContact C-O 3.29Å; F114-P116 WeakPolarHBondContact CB-O 3.3Å; P116-K118 PolarHBondContact O-N 2.85Å |
| 117 | P | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.3 | 131.8 | 171.9 | -24.4 | 32.9 | 0 | 0 | 0 | 111.5 | R94 R163 F166 E167 | R94-P117 CarbonylContact O-C 3.52Å; R94-P117 VanDerWaalsContact O-CA 3.32Å; R94-P117 WeakPolarHBondContact O-CA 3.2Å; P117-R163 HydrophobicContact CG-CG 4.4Å; P117-F166 HydrophobicContact CB-CD1 3.8Å; P117-F166 HydrophobicContact CB-CE1 4.07Å; P117-F166 HydrophobicContact CG-CD1 3.71Å; P117-F166 HydrophobicContact CG-CE1 3.99Å; P117-E167 HydrophobicContact CG-CG 3.94Å |
| 118 | K | 98.7 | Very high | 96.9 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 39% | 0.387 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 128.1 | 175.7 | 175.5 | 66.7 | -179.2 | 171.3 | 0 | 108.2 | A93 R94 F114 P116 E120 | A93-K118 CarbonylContact C-O 3.59Å; A93-K118 VanDerWaalsContact CA-O 3.26Å; A93-K118 WeakPolarHBondContact CA-O 3.17Å; R94-K118 HydrophobicContact CB-CB 4.47Å; R94-K118 PolarHBondContact N-O 2.68Å; R94-K118 PolarHBondContact O-N 2.63Å; F114-K118 HydrophobicContact CB-CB 4.1Å; F114-K118 HydrophobicContact CD1-CB 3.9Å; F114-K118 HydrophobicContact CD2-CB 3.97Å; F114-K118 HydrophobicContact CE1-CB 4.35Å; F114-K118 HydrophobicContact CE2-CB 4.4Å; F114-K118 HydrophobicContact CG-CB 3.71Å; P116-K118 PolarHBondContact O-N 2.85Å; K118-E120 HydrophobicContact CG-CG 4Å |
| 119 | V | 98.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.7 | 171.3 | -178 | 0 | 0 | 0 | 0 | 108.5 | V92 I159 T162 R163 | V92-V119 CarbonylContact O-C 3.59Å; V92-V119 VanDerWaalsContact O-CA 3.29Å; V92-V119 WeakPolarHBondContact O-CA 3.48Å; V119-I159 HydrophobicContact CB-CG2 4.3Å; V119-I159 HydrophobicContact CG1-CG1 4.41Å; V119-I159 HydrophobicContact CG1-CG2 4.28Å; V119-I159 HydrophobicContact CG2-CG2 4.35Å; V119-T162 HydrophobicContact CG1-CG2 4.07Å; V119-T162 HydrophobicContact CG2-CG2 4.4Å; V119-R163 HydrophobicContact CG2-CB 4.23Å |
| 120 | E | 98.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.023 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.6 | 179.7 | -58.8 | -179.5 | 127 | 0 | 0 | 109.6 | V92 R94 F101 R104 K118 F122 | V92-E120 HydrophobicContact CB-CB 4.5Å; V92-E120 PolarHBondContact N-O 3.07Å; V92-E120 PolarHBondContact O-N 2.91Å; R94-E120 IonicContact CZ-OE2 3.56Å; R94-E120 VanDerWaalsContact CZ-OE2 3.24Å; R94-E120 IonicContact NE-OE2 3.58Å; R94-E120 PolarHBondContact NE-OE2 3.3Å; R94-E120 IonicContact NH2-OE2 2.74Å; R94-E120 PolarHBondContact NH2-OE2 3.2Å; F101-E120 WeakPolarHBondContact CD2-OE1 3.45Å; R104-E120 IonicContact CZ-OE1 3.88Å; R104-E120 VanDerWaalsContact CZ-OE1 3.28Å; R104-E120 IonicContact CZ-OE2 3.7Å; R104-E120 IonicContact NH1-OE1 3.57Å; R104-E120 PolarHBondContact NH1-OE1 3.41Å; R104-E120 IonicContact NH2-OE1 2.72Å; R104-E120 PolarHBondContact NH2-OE1 2.84Å; R104-E120 IonicContact NH2-OE2 3.53Å; R104-E120 PolarHBondContact NH2-OE2 2.92Å; K118-E120 HydrophobicContact CG-CG 4Å; E120-F122 HydrophobicContact CB-CE2 3.61Å; E120-F122 HydrophobicContact CB-CZ 3.97Å |
| 121 | L | 98.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.8 | -178 | -61.5 | 75.2 | 0 | 0 | 0 | 108.6 | I89 E90 W91 E132 W133 L138 | I89-L121 HydrophobicContact CG2-CB 3.96Å; I89-L121 HydrophobicContact CG2-CD2 4.35Å; I89-L121 HydrophobicContact CG2-CG 4.3Å; E90-L121 WeakPolarHBondContact O-CA 3.45Å; W91-L121 HydrophobicContact CE3-CD1 4.49Å; W91-L121 HydrophobicContact CE3-CD2 4.24Å; W91-L121 HydrophobicContact CE3-CG 3.9Å; W91-L121 HydrophobicContact CH2-CD2 3.62Å; W91-L121 HydrophobicContact CH2-CG 4.21Å; W91-L121 HydrophobicContact CZ2-CD2 4.37Å; W91-L121 HydrophobicContact CZ3-CD1 4.2Å; W91-L121 HydrophobicContact CZ3-CD2 3.52Å; W91-L121 HydrophobicContact CZ3-CG 3.66Å; L121-E132 CarbonylContact O-C 3.48Å; L121-E132 WeakPolarHBondContact O-CA 3.47Å; L121-W133 PolarHBondContact O-N 3.19Å; L121-L138 HydrophobicContact CD2-CB 4.36Å; L121-L138 HydrophobicContact CD2-CD2 3.59Å |
| 122 | F | 98.5 | Very high | 96.5 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.3 | 174.3 | -54.8 | -96 | 0 | 0 | 0 | 109.4 | I89 E90 V92 E120 D130 P131 E132 | I89-F122 CarbonylContact C-O 3.41Å; I89-F122 WeakPolarHBondContact CA-O 3.42Å; E90-F122 HydrophobicContact CB-CB 4.16Å; E90-F122 PolarHBondContact N-O 2.81Å; E90-F122 PolarHBondContact O-N 3.45Å; V92-F122 HydrophobicContact CB-CD2 4.33Å; V92-F122 HydrophobicContact CB-CE2 3.86Å; V92-F122 HydrophobicContact CG2-CD2 3.64Å; V92-F122 HydrophobicContact CG2-CE2 3.57Å; E120-F122 HydrophobicContact CB-CE2 3.61Å; E120-F122 HydrophobicContact CB-CZ 3.97Å; F122-D130 HydrophobicContact CB-CB 4.45Å; F122-D130 WeakPolarHBondContact CD1-O 3.33Å; F122-P131 CarbonylContact C-O 3.59Å; F122-P131 WeakPolarHBondContact CA-O 3.45Å; F122-E132 HydrophobicContact CD1-CB 3.98Å; F122-E132 HydrophobicContact CE1-CB 3.87Å; F122-E132 HydrophobicContact CE1-CG 4.29Å |
| 123 | Y | 98.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 129 | 177.5 | 177.8 | -107.5 | 0 | 0 | 0 | 109.9 | P88 I89 D125 D130 P131 W133 | P88-Y123 HydrophobicContact CB-CE2 4.17Å; P88-Y123 HydrophobicContact CG-CE2 3.92Å; P88-Y123 WeakPolarHBondContact O-CD2 3.48Å; I89-Y123 HydrophobicContact CD1-CD2 3.98Å; Y123-D125 HydrophobicContact CD1-CB 3.89Å; Y123-D125 HydrophobicContact CE1-CB 3.88Å; Y123-D125 PolarHBondContact O-N 3.43Å; Y123-D130 CarbonylContact O-C 3.55Å; Y123-D130 WeakPolarHBondContact O-CA 3.48Å; Y123-P131 PolarHBondContact N-O 2.91Å; Y123-P131 WeakPolarHBondContact O-CD 3.45Å; Y123-W133 VanDerWaalsContact CB-CE2 3.44Å; Y123-W133 AromaticContact CD1-CZ2 4Å; Y123-W133 HydrophobicContact CD1-CZ2 4Å; Y123-W133 HydrophobicContact CD2-CD2 4.44Å; Y123-W133 HydrophobicContact CD2-CE3 4.45Å; Y123-W133 AromaticContact CD2-CH2 3.72Å; Y123-W133 HydrophobicContact CD2-CH2 3.72Å; Y123-W133 AromaticContact CD2-CZ2 3.69Å; Y123-W133 HydrophobicContact CD2-CZ2 3.69Å; Y123-W133 HydrophobicContact CD2-CZ3 4.11Å; Y123-W133 HydrophobicContact CE1-CZ2 4.44Å; Y123-W133 HydrophobicContact CE2-CH2 4.01Å; Y123-W133 HydrophobicContact CE2-CZ2 4.16Å; Y123-W133 HydrophobicContact CG-CD2 4.26Å; Y123-W133 AromaticContact CG-CE2 3.65Å; Y123-W133 HydrophobicContact CG-CH2 4.13Å; Y123-W133 AromaticContact CG-CZ2 3.59Å; Y123-W133 HydrophobicContact CG-CZ2 3.59Å; Y123-W133 AromaticContact CG-NE1 3.93Å |
| 124 | K | 96.2 | Very high | 96.5 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | trans | -74 | 101.4 | -176.9 | -68.7 | -177.2 | 75.7 | 80.1 | 0 | 110.1 | P88 E90 E186 | P88-K124 HydrophobicContact CB-CB 4.35Å; P88-K124 PolarHBondContact O-N 2.85Å; E90-K124 HydrophobicContact CG-CD 4.06Å; E90-K124 HydrophobicContact CG-CG 3.54Å; E90-K124 IonicContact OE1-NZ 2.66Å; E90-K124 PolarHBondContact OE1-NZ 2.78Å; K124-E186 IonicContact NZ-OE1 3.13Å; K124-E186 PolarHBondContact NZ-OE1 3.25Å; K124-E186 IonicContact NZ-OE2 2.92Å | ||
| 125 | D | 94.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | trans | -152.5 | 97.4 | 174.4 | -169.3 | -23 | 0 | 0 | 0 | 109 | Y123 S127 L128 G129 D130 | Y123-D125 HydrophobicContact CD1-CB 3.89Å; Y123-D125 HydrophobicContact CE1-CB 3.88Å; Y123-D125 PolarHBondContact O-N 3.43Å; D125-S127 PolarHBondContact O-N 2.87Å; D125-S127 VanDerWaalsContact O-N 3.1Å; D125-S127 WeakPolarHBondContact OD1-CB 3.3Å; D125-S127 PolarHBondContact OD1-N 3.27Å; D125-S127 PolarHBondContact OD1-OG 3.49Å; D125-L128 HydrophobicContact CB-CB 4.22Å; D125-L128 HydrophobicContact CB-CD1 4.43Å; D125-L128 HydrophobicContact CB-CG 4.42Å; D125-L128 PolarHBondContact O-N 3.27Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.38Å; D125-G129 PolarHBondContact O-N 2.89Å; D125-G129 VanDerWaalsContact O-N 3.09Å; D125-D130 VanDerWaalsContact C-OD1 3.3Å; D125-D130 PolarHBondContact N-OD1 3.07Å; D125-D130 PolarHBondContact O-N 3.35Å | ||
| 126 | D | 89.1 | Confident | 96.5 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30.9 | 179.1 | -82.6 | -35.7 | 0 | 0 | 0 | 111.6 | K11 N36 L128 G129 | K11-D126 WeakPolarHBondContact CE-OD2 3.29Å; K11-D126 IonicContact NZ-OD1 3.26Å; K11-D126 PolarHBondContact NZ-OD1 3.47Å; K11-D126 IonicContact NZ-OD2 2.85Å; K11-D126 PolarHBondContact NZ-OD2 3.27Å; N36-D126 PolarHBondContact ND2-O 3.32Å; D126-L128 VanDerWaalsContact C-N 3.34Å; D126-G129 PolarHBondContact O-N 3.03Å |
| 127 | S | 92.3 | Very high | 96.5 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -24.2 | -177.8 | 77.6 | 0 | 0 | 0 | 0 | 113.3 | D125 | D125-S127 PolarHBondContact O-N 2.87Å; D125-S127 VanDerWaalsContact O-N 3.1Å; D125-S127 WeakPolarHBondContact OD1-CB 3.3Å; D125-S127 PolarHBondContact OD1-N 3.27Å; D125-S127 PolarHBondContact OD1-OG 3.49Å |
| 128 | L | 91.9 | Very high | 96.5 | Very high | 115 Ų | 115 | 57 Ų | 57 | 60% | 0.602 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 1.6 | 177.8 | -60.9 | -178.9 | 0 | 0 | 0 | 112.7 | D125 D126 P131 | D125-L128 HydrophobicContact CB-CB 4.22Å; D125-L128 HydrophobicContact CB-CD1 4.43Å; D125-L128 HydrophobicContact CB-CG 4.42Å; D125-L128 PolarHBondContact O-N 3.27Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.38Å; D126-L128 VanDerWaalsContact C-N 3.34Å; L128-P131 HydrophobicContact CB-CG 4.08Å; L128-P131 HydrophobicContact CD1-CG 4.41Å |
| 129 | G | 91.2 | Very high | 96.5 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 35.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D125 D126 | D125-G129 PolarHBondContact O-N 2.89Å; D125-G129 VanDerWaalsContact O-N 3.09Å; D126-G129 PolarHBondContact O-N 3.03Å |
| 130 | D | 94.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 51.2 | 68.1 | -179.5 | -60.9 | -28.7 | 0 | 0 | 0 | 113.3 | F122 Y123 D125 | F122-D130 HydrophobicContact CB-CB 4.45Å; F122-D130 WeakPolarHBondContact CD1-O 3.33Å; Y123-D130 CarbonylContact O-C 3.55Å; Y123-D130 WeakPolarHBondContact O-CA 3.48Å; D125-D130 VanDerWaalsContact C-OD1 3.3Å; D125-D130 PolarHBondContact N-OD1 3.07Å; D125-D130 PolarHBondContact O-N 3.35Å |
| 131 | P | 96.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 62.7 Ų | 62.7 | 26% | 0.26 | 34% | 0.335 | S | S | . | . | trans | -63.2 | 143.4 | -173.1 | 26.7 | -35.2 | 0 | 0 | 0 | 112.1 | F122 Y123 L128 W133 | F122-P131 CarbonylContact C-O 3.59Å; F122-P131 WeakPolarHBondContact CA-O 3.45Å; Y123-P131 PolarHBondContact N-O 2.91Å; Y123-P131 WeakPolarHBondContact O-CD 3.45Å; L128-P131 HydrophobicContact CB-CG 4.08Å; L128-P131 HydrophobicContact CD1-CG 4.41Å; P131-W133 PolarHBondContact O-N 2.64Å | ||
| 132 | E | 98.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 43% | 0.43 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.9 | 172.4 | -176.8 | 176.7 | -161.3 | 0 | 0 | 110.4 | R104 L121 F122 | R104-E132 IonicContact CZ-OE2 3.06Å; R104-E132 IonicContact NE-OE2 3.59Å; R104-E132 IonicContact NH1-OE1 2.8Å; R104-E132 PolarHBondContact NH1-OE1 3.2Å; R104-E132 IonicContact NH1-OE2 2.63Å; R104-E132 PolarHBondContact NH1-OE2 2.95Å; L121-E132 CarbonylContact O-C 3.48Å; L121-E132 WeakPolarHBondContact O-CA 3.47Å; F122-E132 HydrophobicContact CD1-CB 3.98Å; F122-E132 HydrophobicContact CE1-CB 3.87Å; F122-E132 HydrophobicContact CE1-CG 4.29Å |
| 133 | W | 98.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 65.2 Ų | 65.2 | 20% | 0.201 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.6 | 171.6 | -84.1 | 24.1 | 0 | 0 | 0 | 109.9 | I89 L121 Y123 P131 T137 L138 | I89-W133 HydrophobicContact CD1-CE3 4Å; I89-W133 HydrophobicContact CD1-CZ3 4.4Å; L121-W133 PolarHBondContact O-N 3.19Å; Y123-W133 VanDerWaalsContact CB-CE2 3.44Å; Y123-W133 AromaticContact CD1-CZ2 4Å; Y123-W133 HydrophobicContact CD1-CZ2 4Å; Y123-W133 HydrophobicContact CD2-CD2 4.44Å; Y123-W133 HydrophobicContact CD2-CE3 4.45Å; Y123-W133 AromaticContact CD2-CH2 3.72Å; Y123-W133 HydrophobicContact CD2-CH2 3.72Å; Y123-W133 AromaticContact CD2-CZ2 3.69Å; Y123-W133 HydrophobicContact CD2-CZ2 3.69Å; Y123-W133 HydrophobicContact CD2-CZ3 4.11Å; Y123-W133 HydrophobicContact CE1-CZ2 4.44Å; Y123-W133 HydrophobicContact CE2-CH2 4.01Å; Y123-W133 HydrophobicContact CE2-CZ2 4.16Å; Y123-W133 HydrophobicContact CG-CD2 4.26Å; Y123-W133 AromaticContact CG-CE2 3.65Å; Y123-W133 HydrophobicContact CG-CH2 4.13Å; Y123-W133 AromaticContact CG-CZ2 3.59Å; Y123-W133 HydrophobicContact CG-CZ2 3.59Å; Y123-W133 AromaticContact CG-NE1 3.93Å; P131-W133 PolarHBondContact O-N 2.64Å; W133-T137 HydrophobicContact CB-CG2 4.34Å; W133-T137 HydrophobicContact CD2-CG2 3.61Å; W133-T137 HydrophobicContact CE3-CG2 3.92Å; W133-T137 HydrophobicContact CG-CG2 3.82Å; W133-T137 HydrophobicContact CZ2-CG2 4.5Å; W133-T137 HydrophobicContact CZ3-CG2 4.48Å; W133-L138 HydrophobicContact CE3-CB 4.06Å; W133-L138 HydrophobicContact CE3-CD1 4.08Å; W133-L138 HydrophobicContact CZ3-CD1 3.97Å |
| 134 | S | 98.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 66.1 Ų | 66.1 | 36% | 0.357 | 37% | 0.372 | S | S | . | . | trans | -77.2 | 167.3 | 167.1 | 84.3 | 0 | 0 | 0 | 0 | 110.5 | E136 T137 L138 | S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.43Å; S134-E136 PolarHBondContact O-N 2.85Å; S134-E136 PolarHBondContact OG-N 3.45Å; S134-E136 PolarHBondContact OG-OE2 3.18Å; S134-T137 PolarHBondContact O-N 3.2Å; S134-T137 PolarHBondContact OG-N 3.24Å; S134-T137 PolarHBondContact OG-OG1 3.35Å; S134-L138 PolarHBondContact O-N 3.14Å; S134-L138 VanDerWaalsContact O-N 3.15Å | ||
| 135 | R | 98.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 62.9 Ų | 62.9 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 171.1 | 179.8 | 179.3 | 178.5 | -78.2 | 0.6 | 110.7 | L138 I139 V155 D156 | R135-L138 PolarHBondContact O-N 3.06Å; R135-I139 HydrophobicContact CG-CD1 3.9Å; R135-I139 WeakPolarHBondContact O-CD1 3.41Å; R135-I139 VanDerWaalsContact O-CG1 3.28Å; R135-I139 WeakPolarHBondContact O-CG1 3.36Å; R135-I139 PolarHBondContact O-N 2.99Å; R135-I139 VanDerWaalsContact O-N 3.13Å; R135-V155 HydrophobicContact CG-CG1 3.84Å; R135-D156 IonicContact CZ-OD1 2.95Å; R135-D156 VanDerWaalsContact CZ-OD1 3.26Å; R135-D156 IonicContact CZ-OD2 3.65Å; R135-D156 IonicContact NE-OD1 3.24Å; R135-D156 PolarHBondContact NE-OD1 3.49Å; R135-D156 IonicContact NH2-OD1 2.7Å; R135-D156 PolarHBondContact NH2-OD1 3.45Å; R135-D156 IonicContact NH2-OD2 3.26Å; R135-D156 PolarHBondContact NH2-OD2 2.8Å |
| 136 | E | 98.5 | Very high | 96.2 | Very high | 111 Ų | 111 | 63.3 Ų | 63.3 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 178.9 | -61.9 | 70.5 | -154.2 | 0 | 0 | 111.1 | S134 L138 I139 E140 | S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 WeakPolarHBondContact CB-OE2 3.43Å; S134-E136 PolarHBondContact O-N 2.85Å; S134-E136 PolarHBondContact OG-N 3.45Å; S134-E136 PolarHBondContact OG-OE2 3.18Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.29Å; E136-I139 PolarHBondContact O-N 3.4Å; E136-E140 WeakPolarHBondContact O-CB 3.43Å; E136-E140 WeakPolarHBondContact O-CG 3.44Å; E136-E140 PolarHBondContact O-N 3.48Å |
| 137 | T | 98.4 | Very high | 96.5 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | W133 S134 S141 | W133-T137 HydrophobicContact CB-CG2 4.34Å; W133-T137 HydrophobicContact CD2-CG2 3.61Å; W133-T137 HydrophobicContact CE3-CG2 3.92Å; W133-T137 HydrophobicContact CG-CG2 3.82Å; W133-T137 HydrophobicContact CZ2-CG2 4.5Å; W133-T137 HydrophobicContact CZ3-CG2 4.48Å; S134-T137 PolarHBondContact O-N 3.2Å; S134-T137 PolarHBondContact OG-N 3.24Å; S134-T137 PolarHBondContact OG-OG1 3.35Å; T137-S141 WeakPolarHBondContact O-CB 3.4Å; T137-S141 PolarHBondContact O-N 3.36Å |
| 138 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.5 | 179.9 | 54.3 | 0 | 0 | 0 | 111.9 | I89 W91 L121 W133 S134 R135 E136 S141 L143 I150 V155 | I89-L138 HydrophobicContact CD1-CD1 3.94Å; I89-L138 HydrophobicContact CD1-CD2 4.39Å; I89-L138 HydrophobicContact CG1-CD1 4Å; I89-L138 HydrophobicContact CG1-CD2 4.09Å; W91-L138 HydrophobicContact CH2-CD2 3.83Å; W91-L138 HydrophobicContact CZ2-CD2 3.99Å; L121-L138 HydrophobicContact CD2-CB 4.36Å; L121-L138 HydrophobicContact CD2-CD2 3.59Å; W133-L138 HydrophobicContact CE3-CB 4.06Å; W133-L138 HydrophobicContact CE3-CD1 4.08Å; W133-L138 HydrophobicContact CZ3-CD1 3.97Å; S134-L138 PolarHBondContact O-N 3.14Å; S134-L138 VanDerWaalsContact O-N 3.15Å; R135-L138 PolarHBondContact O-N 3.06Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.29Å; L138-S141 PolarHBondContact O-N 3.02Å; L138-S141 PolarHBondContact O-OG 3.17Å; L138-L143 HydrophobicContact CD1-CD2 4.1Å; L138-I150 HydrophobicContact CD1-CG2 4.32Å; L138-I150 HydrophobicContact CD2-CG2 4.33Å; L138-I150 HydrophobicContact CG-CG2 4.25Å; L138-V155 HydrophobicContact CB-CG2 4.46Å; L138-V155 HydrophobicContact CD2-CG1 4.36Å; L138-V155 HydrophobicContact CD2-CG2 3.64Å; L138-V155 HydrophobicContact CG-CG2 3.81Å |
| 139 | I | 98 | Very high | 96.9 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65 | -49.9 | 178.9 | -67.2 | 166.5 | 0 | 0 | 0 | 111 | R135 E136 S141 G142 A152 V155 | R135-I139 HydrophobicContact CG-CD1 3.9Å; R135-I139 WeakPolarHBondContact O-CD1 3.41Å; R135-I139 VanDerWaalsContact O-CG1 3.28Å; R135-I139 WeakPolarHBondContact O-CG1 3.36Å; R135-I139 PolarHBondContact O-N 2.99Å; R135-I139 VanDerWaalsContact O-N 3.13Å; E136-I139 PolarHBondContact O-N 3.4Å; I139-S141 PolarHBondContact O-N 2.91Å; I139-G142 PolarHBondContact O-N 3.32Å; I139-A152 HydrophobicContact CD1-CB 3.93Å; I139-V155 HydrophobicContact CG1-CB 4.5Å; I139-V155 HydrophobicContact CG1-CG2 4.05Å |
| 140 | E | 98.1 | Very high | 97.2 | Very high | 163 Ų | 163 | 55 Ų | 55 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.3 | -16.6 | -177.2 | -65.3 | -59.5 | 147.8 | 0 | 0 | 112.8 | E136 G142 | E136-E140 WeakPolarHBondContact O-CB 3.43Å; E136-E140 WeakPolarHBondContact O-CG 3.44Å; E136-E140 PolarHBondContact O-N 3.48Å; E140-G142 PolarHBondContact O-N 3.37Å; E140-G142 VanDerWaalsContact O-N 3.16Å |
| 141 | S | 97.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.7 | 173.4 | 76.6 | 0 | 0 | 0 | 0 | 113.3 | T137 L138 I139 L143 | T137-S141 WeakPolarHBondContact O-CB 3.4Å; T137-S141 PolarHBondContact O-N 3.36Å; L138-S141 PolarHBondContact O-N 3.02Å; L138-S141 PolarHBondContact O-OG 3.17Å; I139-S141 PolarHBondContact O-N 2.91Å; S141-L143 PolarHBondContact O-N 2.96Å; S141-L143 WeakPolarHBondContact OG-CB 3.41Å; S141-L143 PolarHBondContact OG-N 3.14Å |
| 142 | G | 96 | Very high | 97.1 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 22.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | I139 E140 V144 | I139-G142 PolarHBondContact O-N 3.32Å; E140-G142 PolarHBondContact O-N 3.37Å; E140-G142 VanDerWaalsContact O-N 3.16Å; G142-V144 PolarHBondContact O-N 3.42Å |
| 143 | L | 97.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | trans | -54.5 | 125.1 | -175.1 | 177.2 | 67.9 | 0 | 0 | 0 | 111.5 | I87 P88 L138 S141 V145 I150 | I87-L143 HydrophobicContact CG2-CD2 4.07Å; P88-L143 HydrophobicContact CG-CD2 4.32Å; L138-L143 HydrophobicContact CD1-CD2 4.1Å; S141-L143 PolarHBondContact O-N 2.96Å; S141-L143 WeakPolarHBondContact OG-CB 3.41Å; S141-L143 PolarHBondContact OG-N 3.14Å; L143-V145 HydrophobicContact CD1-CG2 4.08Å; L143-V145 HydrophobicContact CD2-CG2 4.02Å; L143-V145 HydrophobicContact CG-CG2 3.84Å; L143-I150 HydrophobicContact CB-CB 4.36Å; L143-I150 HydrophobicContact CD2-CB 4.38Å; L143-I150 HydrophobicContact CD2-CG1 4.02Å; L143-I150 HydrophobicContact CG-CG1 4.17Å; L143-I150 PolarHBondContact O-N 3.16Å | ||
| 144 | V | 97.8 | Very high | 96.8 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 53% | 0.527 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.5 | 173.5 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | G142 V148 T149 | G142-V144 PolarHBondContact O-N 3.42Å; V144-V148 CarbonylContact C-O 3.18Å; V144-V148 WeakPolarHBondContact CA-O 3.47Å; V144-T149 HydrophobicContact CG2-CG2 4.47Å |
| 145 | V | 97.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 116.3 | 179.5 | -175 | 0 | 0 | 0 | 0 | 109 | V85 I87 L143 G147 V148 I150 V189 | V85-V145 HydrophobicContact CB-CG1 3.88Å; V85-V145 HydrophobicContact CG1-CG1 3.67Å; V85-V145 WeakPolarHBondContact O-CG1 3.38Å; I87-V145 HydrophobicContact CG1-CB 4.35Å; I87-V145 HydrophobicContact CG1-CG1 4.25Å; I87-V145 HydrophobicContact CG1-CG2 4.12Å; L143-V145 HydrophobicContact CD1-CG2 4.08Å; L143-V145 HydrophobicContact CD2-CG2 4.02Å; L143-V145 HydrophobicContact CG-CG2 3.84Å; V145-G147 PolarHBondContact O-N 3.26Å; V145-V148 PolarHBondContact N-O 3.06Å; V145-V148 WeakPolarHBondContact O-CB 3.29Å; V145-V148 PolarHBondContact O-N 3.36Å; V145-I150 HydrophobicContact CG2-CG1 4.2Å; V145-V189 HydrophobicContact CB-CG2 3.88Å; V145-V189 HydrophobicContact CG1-CB 4.16Å; V145-V189 HydrophobicContact CG1-CG2 3.77Å |
| 146 | S | 94.9 | Very high | 96.7 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 40.5 | -179.1 | -165.3 | 0 | 0 | 0 | 0 | 113.8 | V148 | S146-V148 VanDerWaalsContact C-N 3.28Å; S146-V148 PolarHBondContact O-N 3.12Å |
| 147 | G | 94.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 73% | 0.732 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V145 | V145-G147 PolarHBondContact O-N 3.26Š|
| 148 | V | 95.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.1 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V144 V145 S146 I150 E154 V189 G194 | V144-V148 CarbonylContact C-O 3.18Å; V144-V148 WeakPolarHBondContact CA-O 3.47Å; V145-V148 PolarHBondContact N-O 3.06Å; V145-V148 WeakPolarHBondContact O-CB 3.29Å; V145-V148 PolarHBondContact O-N 3.36Å; S146-V148 VanDerWaalsContact C-N 3.28Å; S146-V148 PolarHBondContact O-N 3.12Å; V148-I150 HydrophobicContact CG1-CD1 4.3Å; V148-E154 HydrophobicContact CG1-CG 4.26Å; V148-V189 HydrophobicContact CB-CG1 4.28Å; V148-V189 HydrophobicContact CB-CG2 4.28Å; V148-V189 HydrophobicContact CG2-CG1 3.63Å; V148-V189 HydrophobicContact CG2-CG2 4.48Å; V148-G194 VanDerWaalsContact CG2-O 3.3Å; V148-G194 WeakPolarHBondContact CG2-O 3.46Å |
| 149 | T | 96.6 | Very high | 96.6 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 124.3 | 170.9 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | V144 H151 | V144-T149 HydrophobicContact CG2-CG2 4.47Å; T149-H151 PolarHBondContact O-N 3.28Å; T149-H151 VanDerWaalsContact O-N 3.12Å |
| 150 | I | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -83.6 | 85.4 | 177.6 | -52.3 | -54.9 | 0 | 0 | 0 | 108.4 | I87 L138 L143 V145 V148 E154 V155 M158 I196 | I87-I150 HydrophobicContact CD1-CD1 3.7Å; I87-I150 HydrophobicContact CD1-CG1 4.45Å; I87-I150 HydrophobicContact CG1-CD1 4.25Å; L138-I150 HydrophobicContact CD1-CG2 4.32Å; L138-I150 HydrophobicContact CD2-CG2 4.33Å; L138-I150 HydrophobicContact CG-CG2 4.25Å; L143-I150 HydrophobicContact CB-CB 4.36Å; L143-I150 HydrophobicContact CD2-CB 4.38Å; L143-I150 HydrophobicContact CD2-CG1 4.02Å; L143-I150 HydrophobicContact CG-CG1 4.17Å; L143-I150 PolarHBondContact O-N 3.16Å; V145-I150 HydrophobicContact CG2-CG1 4.2Å; V148-I150 HydrophobicContact CG1-CD1 4.3Å; I150-E154 HydrophobicContact CD1-CB 4.43Å; I150-E154 HydrophobicContact CG2-CB 4.34Å; I150-V155 HydrophobicContact CG2-CG2 3.83Å; I150-M158 HydrophobicContact CG2-CE 3.65Å; I150-I196 HydrophobicContact CD1-CD1 4.02Å | ||
| 151 | H | 95 | Very high | 96.6 | Very high | 101 Ų | 101 | 40.9 Ų | 40.9 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | trans | -105.6 | -170 | 178.5 | -158.5 | -101.8 | 0 | 0 | 0 | 110.9 | T149 K153 E154 V155 | T149-H151 PolarHBondContact O-N 3.28Å; T149-H151 VanDerWaalsContact O-N 3.12Å; H151-K153 VanDerWaalsContact C-N 3.28Å; H151-K153 PolarHBondContact O-N 2.64Å; H151-K153 VanDerWaalsContact O-N 3.12Å; H151-E154 PolarHBondContact N-OE2 3.36Å; H151-E154 PolarHBondContact O-N 2.87Å; H151-E154 VanDerWaalsContact O-N 3.14Å; H151-V155 WeakPolarHBondContact O-CG2 3.46Å; H151-V155 PolarHBondContact O-N 3.3Å | ||
| 152 | A | 95.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -46.6 | -45.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I139 V155 D156 | I139-A152 HydrophobicContact CD1-CB 3.93Å; A152-V155 PolarHBondContact O-N 3.4Å; A152-D156 WeakPolarHBondContact O-CB 3.33Å; A152-D156 PolarHBondContact O-N 3.12Å |
| 153 | K | 94 | Very high | 96.8 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.6 | -41.5 | -176.5 | -68.6 | -174.2 | 171.4 | -176 | 0 | 112.2 | H151 F157 M406 D409 S410 | H151-K153 VanDerWaalsContact C-N 3.28Å; H151-K153 PolarHBondContact O-N 2.64Å; H151-K153 VanDerWaalsContact O-N 3.12Å; K153-F157 VanDerWaalsContact O-CB 3.32Å; K153-F157 WeakPolarHBondContact O-CB 3.41Å; K153-F157 PolarHBondContact O-N 3.49Å; K153-M406 HydrophobicContact CB-CE 4.11Å; K153-M406 VanDerWaalsContact O-CE 3.26Å; K153-M406 WeakPolarHBondContact O-CE 3.2Å; K153-D409 IonicContact NZ-OD2 2.75Å; K153-D409 PolarHBondContact NZ-OD2 3.01Å; K153-S410 VanDerWaalsContact CD-OG 3.28Å; K153-S410 WeakPolarHBondContact CD-OG 3.44Å; K153-S410 PolarHBondContact NZ-OG 3.09Å |
| 154 | E | 96.2 | Very high | 96.9 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 177.2 | -71.5 | 62.6 | -128.7 | 0 | 0 | 111.1 | V148 I150 H151 F157 M158 I196 | V148-E154 HydrophobicContact CG1-CG 4.26Å; I150-E154 HydrophobicContact CD1-CB 4.43Å; I150-E154 HydrophobicContact CG2-CB 4.34Å; H151-E154 PolarHBondContact N-OE2 3.36Å; H151-E154 PolarHBondContact O-N 2.87Å; H151-E154 VanDerWaalsContact O-N 3.14Å; E154-F157 WeakPolarHBondContact O-CB 3.39Å; E154-F157 PolarHBondContact O-N 3.18Å; E154-M158 HydrophobicContact CB-CE 4.44Å; E154-M158 VanDerWaalsContact O-CE 3.29Å; E154-M158 WeakPolarHBondContact O-CE 3.46Å; E154-M158 WeakPolarHBondContact O-CG 3.45Å; E154-M158 PolarHBondContact O-N 3.13Å; E154-I196 HydrophobicContact CB-CD1 3.55Å; E154-I196 HydrophobicContact CG-CD1 3.5Å |
| 155 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 111 | W91 R135 L138 I139 I150 H151 A152 F157 M158 I159 | W91-V155 HydrophobicContact CH2-CG1 4.16Å; R135-V155 HydrophobicContact CG-CG1 3.84Å; L138-V155 HydrophobicContact CB-CG2 4.46Å; L138-V155 HydrophobicContact CD2-CG1 4.36Å; L138-V155 HydrophobicContact CD2-CG2 3.64Å; L138-V155 HydrophobicContact CG-CG2 3.81Å; I139-V155 HydrophobicContact CG1-CB 4.5Å; I139-V155 HydrophobicContact CG1-CG2 4.05Å; I150-V155 HydrophobicContact CG2-CG2 3.83Å; H151-V155 WeakPolarHBondContact O-CG2 3.46Å; H151-V155 PolarHBondContact O-N 3.3Å; A152-V155 PolarHBondContact O-N 3.4Å; V155-F157 VanDerWaalsContact C-N 3.3Å; V155-F157 PolarHBondContact O-N 2.95Å; V155-M158 PolarHBondContact O-N 2.98Å; V155-M158 VanDerWaalsContact O-N 3.16Å; V155-I159 HydrophobicContact CG1-CD1 4.03Å; V155-I159 HydrophobicContact CG1-CG1 4.49Å; V155-I159 WeakPolarHBondContact O-CG1 2.97Å; V155-I159 PolarHBondContact O-N 3.39Å |
| 156 | D | 96.3 | Very high | 97 | Very high | 45 Ų | 45 | 33 Ų | 33 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 178.6 | -67.7 | -21.8 | 0 | 0 | 0 | 111.9 | R135 A152 I159 E160 M406 | R135-D156 IonicContact CZ-OD1 2.95Å; R135-D156 VanDerWaalsContact CZ-OD1 3.26Å; R135-D156 IonicContact CZ-OD2 3.65Å; R135-D156 IonicContact NE-OD1 3.24Å; R135-D156 PolarHBondContact NE-OD1 3.49Å; R135-D156 IonicContact NH2-OD1 2.7Å; R135-D156 PolarHBondContact NH2-OD1 3.45Å; R135-D156 IonicContact NH2-OD2 3.26Å; R135-D156 PolarHBondContact NH2-OD2 2.8Å; A152-D156 WeakPolarHBondContact O-CB 3.33Å; A152-D156 PolarHBondContact O-N 3.12Å; D156-I159 PolarHBondContact O-N 3.15Å; D156-E160 PolarHBondContact O-N 3.02Å; D156-M406 HydrophobicContact CB-CE 4.23Å |
| 157 | F | 96.8 | Very high | 97.2 | Very high | 39 Ų | 39 | 31.7 Ų | 31.7 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -51.6 | 171.7 | 168.3 | -95 | 0 | 0 | 0 | 111.6 | K153 E154 V155 I159 E160 V161 I196 I403 | K153-F157 VanDerWaalsContact O-CB 3.32Å; K153-F157 WeakPolarHBondContact O-CB 3.41Å; K153-F157 PolarHBondContact O-N 3.49Å; E154-F157 WeakPolarHBondContact O-CB 3.39Å; E154-F157 PolarHBondContact O-N 3.18Å; V155-F157 VanDerWaalsContact C-N 3.3Å; V155-F157 PolarHBondContact O-N 2.95Å; F157-I159 VanDerWaalsContact C-N 3.35Å; F157-I159 PolarHBondContact O-N 2.9Å; F157-E160 PolarHBondContact O-N 3.44Å; F157-V161 HydrophobicContact CD1-CG2 4.43Å; F157-V161 HydrophobicContact CD2-CG2 4.16Å; F157-V161 HydrophobicContact CE1-CG2 4.05Å; F157-V161 HydrophobicContact CE2-CG2 3.78Å; F157-V161 HydrophobicContact CG-CG2 4.48Å; F157-V161 HydrophobicContact CZ-CG2 3.71Å; F157-V161 VanDerWaalsContact O-CG2 3.29Å; F157-V161 WeakPolarHBondContact O-CG2 3.49Å; F157-V161 PolarHBondContact O-N 3.31Å; F157-I196 HydrophobicContact CD1-CB 4.21Å; F157-I196 HydrophobicContact CD1-CG2 4.07Å; F157-I196 HydrophobicContact CE1-CB 3.83Å; F157-I196 HydrophobicContact CE1-CG2 3.72Å; F157-I403 HydrophobicContact CD2-CD1 4.15Å; F157-I403 HydrophobicContact CD2-CG1 3.85Å; F157-I403 HydrophobicContact CD2-CG2 4.49Å; F157-I403 HydrophobicContact CE2-CD1 3.59Å; F157-I403 HydrophobicContact CE2-CG1 3.79Å; F157-I403 HydrophobicContact CE2-CG2 4.27Å |
| 158 | M | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | -178.7 | -72 | -177.8 | -75.5 | 0 | 0 | 112.4 | I87 W91 I150 E154 V155 T162 F187 I196 | I87-M158 HydrophobicContact CD1-CE 4.03Å; I87-M158 HydrophobicContact CD1-SD 3.49Å; I87-M158 WeakPolarHBondContact CD1-SD 3.21Å; W91-M158 HydrophobicContact CD2-CB 4.14Å; W91-M158 HydrophobicContact CE3-CB 4.13Å; W91-M158 HydrophobicContact CH2-CB 3.53Å; W91-M158 HydrophobicContact CH2-CE 3.85Å; W91-M158 HydrophobicContact CH2-CG 4.43Å; W91-M158 HydrophobicContact CH2-SD 4.2Å; W91-M158 HydrophobicContact CZ2-CB 3.53Å; W91-M158 HydrophobicContact CZ2-CE 3.44Å; W91-M158 VanDerWaalsContact CZ2-CE 3.44Å; W91-M158 HydrophobicContact CZ2-CG 4.07Å; W91-M158 HydrophobicContact CZ2-SD 3.4Å; W91-M158 WeakPolarHBondContact CZ2-SD 3.35Å; W91-M158 HydrophobicContact CZ3-CB 3.85Å; I150-M158 HydrophobicContact CG2-CE 3.65Å; E154-M158 HydrophobicContact CB-CE 4.44Å; E154-M158 VanDerWaalsContact O-CE 3.29Å; E154-M158 WeakPolarHBondContact O-CE 3.46Å; E154-M158 WeakPolarHBondContact O-CG 3.45Å; E154-M158 PolarHBondContact O-N 3.13Å; V155-M158 PolarHBondContact O-N 2.98Å; V155-M158 VanDerWaalsContact O-N 3.16Å; M158-T162 VanDerWaalsContact O-CB 3.23Å; M158-T162 WeakPolarHBondContact O-CB 3.47Å; M158-T162 PolarHBondContact O-N 3.41Å; M158-T162 PolarHBondContact O-OG1 3.44Å; M158-F187 HydrophobicContact CB-CD2 4.11Å; M158-F187 HydrophobicContact CB-CE2 3.94Å; M158-F187 HydrophobicContact CB-CG 4.49Å; M158-F187 HydrophobicContact CB-CZ 4.18Å; M158-F187 HydrophobicContact CG-CB 4.35Å; M158-F187 HydrophobicContact CG-CD1 3.99Å; M158-F187 HydrophobicContact CG-CD2 3.91Å; M158-F187 HydrophobicContact CG-CE1 4.24Å; M158-F187 HydrophobicContact CG-CE2 4.16Å; M158-F187 HydrophobicContact CG-CG 3.82Å; M158-F187 HydrophobicContact CG-CZ 4.32Å; M158-F187 HydrophobicContact SD-CB 3.8Å; M158-F187 HydrophobicContact SD-CD2 3.99Å; M158-F187 HydrophobicContact SD-CG 3.87Å; M158-I196 HydrophobicContact CE-CD1 4.38Å; M158-I196 HydrophobicContact CG-CG2 3.86Å; M158-I196 HydrophobicContact SD-CG2 3.95Å |
| 159 | I | 98.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 27 Ų | 27 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 173.1 | -69 | 174.4 | 0 | 0 | 0 | 110.6 | W91 V119 V155 D156 F157 T162 R163 | W91-I159 HydrophobicContact CE3-CG1 4.26Å; W91-I159 HydrophobicContact CZ3-CG1 3.61Å; V119-I159 HydrophobicContact CB-CG2 4.3Å; V119-I159 HydrophobicContact CG1-CG1 4.41Å; V119-I159 HydrophobicContact CG1-CG2 4.28Å; V119-I159 HydrophobicContact CG2-CG2 4.35Å; V155-I159 HydrophobicContact CG1-CD1 4.03Å; V155-I159 HydrophobicContact CG1-CG1 4.49Å; V155-I159 WeakPolarHBondContact O-CG1 2.97Å; V155-I159 PolarHBondContact O-N 3.39Å; D156-I159 PolarHBondContact O-N 3.15Å; F157-I159 VanDerWaalsContact C-N 3.35Å; F157-I159 PolarHBondContact O-N 2.9Å; I159-T162 WeakPolarHBondContact O-CB 3.22Å; I159-T162 PolarHBondContact O-N 3.13Å; I159-R163 PolarHBondContact O-N 3.27Å |
| 160 | E | 97.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 15% | 0.15 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.6 | -33.6 | -175 | -171.3 | 51.4 | -148 | 0 | 0 | 112.1 | D156 F157 R163 T164 R395 L399 Y402 | D156-E160 PolarHBondContact O-N 3.02Å; F157-E160 PolarHBondContact O-N 3.44Å; E160-R163 IonicContact OE2-CZ 2.95Å; E160-R163 IonicContact OE2-NH1 3.28Å; E160-R163 PolarHBondContact OE2-NH1 3.13Å; E160-T164 VanDerWaalsContact O-CB 3.3Å; E160-T164 WeakPolarHBondContact O-CB 3.43Å; E160-T164 PolarHBondContact O-N 2.91Å; E160-T164 PolarHBondContact O-OG1 3.28Å; E160-R395 IonicContact OE1-CZ 2.86Å; E160-R395 IonicContact OE1-NH1 2.67Å; E160-R395 PolarHBondContact OE1-NH1 2.93Å; E160-R395 VanDerWaalsContact OE1-NH1 3.13Å; E160-R395 IonicContact OE1-NH2 3.97Å; E160-R395 PolarHBondContact OE1-NH2 2.9Å; E160-L399 HydrophobicContact CB-CD1 4.4Å; E160-L399 HydrophobicContact CG-CD1 3.84Å; E160-Y402 HydrophobicContact CB-CD1 4.41Å; E160-Y402 HydrophobicContact CB-CE1 4.03Å; E160-Y402 HydrophobicContact CG-CD1 3.92Å; E160-Y402 HydrophobicContact CG-CE1 3.97Å |
| 161 | V | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -45.8 | 169.6 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | F157 R163 T164 V165 F187 L399 | F157-V161 HydrophobicContact CD1-CG2 4.43Å; F157-V161 HydrophobicContact CD2-CG2 4.16Å; F157-V161 HydrophobicContact CE1-CG2 4.05Å; F157-V161 HydrophobicContact CE2-CG2 3.78Å; F157-V161 HydrophobicContact CG-CG2 4.48Å; F157-V161 HydrophobicContact CZ-CG2 3.71Å; F157-V161 VanDerWaalsContact O-CG2 3.29Å; F157-V161 WeakPolarHBondContact O-CG2 3.49Å; F157-V161 PolarHBondContact O-N 3.31Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 2.99Å; V161-T164 PolarHBondContact O-N 2.7Å; V161-V165 HydrophobicContact CG1-CG2 4.05Å; V161-V165 VanDerWaalsContact O-CG2 3.26Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.31Å; V161-F187 HydrophobicContact CB-CE1 3.9Å; V161-F187 HydrophobicContact CB-CZ 3.89Å; V161-F187 HydrophobicContact CG1-CE1 3.62Å; V161-F187 HydrophobicContact CG1-CZ 3.79Å; V161-L399 HydrophobicContact CG2-CD1 4.15Å; V161-L399 HydrophobicContact CG2-CD2 4.16Å |
| 162 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.8 | -48.3 | 177.9 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | W91 A93 V119 M158 I159 T164 V165 F166 V185 F187 | W91-T162 HydrophobicContact CB-CG2 3.95Å; W91-T162 WeakPolarHBondContact CB-OG1 3.43Å; A93-T162 HydrophobicContact CB-CG2 4.03Å; V119-T162 HydrophobicContact CG1-CG2 4.07Å; V119-T162 HydrophobicContact CG2-CG2 4.4Å; M158-T162 VanDerWaalsContact O-CB 3.23Å; M158-T162 WeakPolarHBondContact O-CB 3.47Å; M158-T162 PolarHBondContact O-N 3.41Å; M158-T162 PolarHBondContact O-OG1 3.44Å; I159-T162 WeakPolarHBondContact O-CB 3.22Å; I159-T162 PolarHBondContact O-N 3.13Å; T162-T164 PolarHBondContact O-N 2.87Å; T162-V165 PolarHBondContact O-N 2.74Å; T162-F166 WeakPolarHBondContact O-CB 3.41Å; T162-F166 PolarHBondContact O-N 3.41Å; T162-V185 HydrophobicContact CG2-CG2 4.06Å; T162-F187 WeakPolarHBondContact OG1-CE2 3.31Å |
| 163 | R | 98.6 | Very high | 98 | Very high | 64 Ų | 64 | 23.6 Ų | 23.6 | 24% | 0.242 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 176.4 | -175.9 | -176.6 | -66 | 145.5 | -5 | 111.6 | P117 V119 I159 E160 V161 F166 E167 | P117-R163 HydrophobicContact CG-CG 4.4Å; V119-R163 HydrophobicContact CG2-CB 4.23Å; I159-R163 PolarHBondContact O-N 3.27Å; E160-R163 IonicContact OE2-CZ 2.95Å; E160-R163 IonicContact OE2-NH1 3.28Å; E160-R163 PolarHBondContact OE2-NH1 3.13Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 2.99Å; R163-F166 PolarHBondContact O-N 2.86Å; R163-E167 HydrophobicContact CG-CG 4.44Å; R163-E167 WeakPolarHBondContact CG-OE1 3.25Å; R163-E167 VanDerWaalsContact O-CG 3.3Å; R163-E167 WeakPolarHBondContact O-CG 3.37Å; R163-E167 PolarHBondContact O-N 3.15Å |
| 164 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | -179.7 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | E160 V161 T162 F166 E167 I168 R395 L399 | E160-T164 VanDerWaalsContact O-CB 3.3Å; E160-T164 WeakPolarHBondContact O-CB 3.43Å; E160-T164 PolarHBondContact O-N 2.91Å; E160-T164 PolarHBondContact O-OG1 3.28Å; V161-T164 PolarHBondContact O-N 2.7Å; T162-T164 PolarHBondContact O-N 2.87Å; T164-F166 VanDerWaalsContact C-N 3.31Å; T164-F166 PolarHBondContact O-N 3.46Å; T164-E167 PolarHBondContact O-N 2.94Å; T164-I168 HydrophobicContact CG2-CD1 3.62Å; T164-I168 HydrophobicContact CG2-CG1 4.4Å; T164-I168 WeakPolarHBondContact O-CB 3.29Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.36Å; T164-I168 PolarHBondContact O-N 3.25Å; T164-R395 HydrophobicContact CG2-CG 3.96Å; T164-R395 PolarHBondContact OG1-NH1 3Å; T164-R395 VanDerWaalsContact OG1-NH1 3.09Å; T164-R395 PolarHBondContact OG1-NH2 2.91Å; T164-L399 HydrophobicContact CG2-CB 4.18Å; T164-L399 HydrophobicContact CG2-CD2 3.66Å; T164-L399 HydrophobicContact CG2-CG 4.48Å |
| 165 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110 | L61 L66 V161 T162 E167 I168 L169 M183 L198 I202 | L61-V165 HydrophobicContact CD1-CG1 3.99Å; L61-V165 HydrophobicContact CD2-CG1 4.41Å; L66-V165 HydrophobicContact CD2-CG2 3.49Å; L66-V165 VanDerWaalsContact CD2-CG2 3.49Å; V161-V165 HydrophobicContact CG1-CG2 4.05Å; V161-V165 VanDerWaalsContact O-CG2 3.26Å; V161-V165 WeakPolarHBondContact O-CG2 3.45Å; V161-V165 PolarHBondContact O-N 3.31Å; T162-V165 PolarHBondContact O-N 2.74Å; V165-E167 PolarHBondContact O-N 2.89Å; V165-I168 PolarHBondContact O-N 2.9Å; V165-L169 HydrophobicContact CG1-CD1 3.79Å; V165-L169 HydrophobicContact CG1-CG 4.32Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.25Å; V165-M183 HydrophobicContact CB-CE 3.69Å; V165-M183 HydrophobicContact CG1-CE 3.46Å; V165-M183 VanDerWaalsContact CG1-CE 3.46Å; V165-M183 HydrophobicContact CG1-SD 4.15Å; V165-L198 HydrophobicContact CG1-CD2 4.36Å; V165-L198 HydrophobicContact CG2-CD2 3.83Å; V165-I202 HydrophobicContact CG1-CD1 4.39Å |
| 166 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.2 | -49.7 | 178.3 | 179.2 | -90.4 | 0 | 0 | 0 | 111.5 | A93 R95 P117 T162 R163 T164 I168 L169 E170 L180 M183 | A93-F166 HydrophobicContact CB-CB 3.54Å; A93-F166 HydrophobicContact CB-CD1 4.43Å; A93-F166 HydrophobicContact CB-CD2 3.57Å; A93-F166 HydrophobicContact CB-CE2 4.44Å; A93-F166 HydrophobicContact CB-CG 3.56Å; R95-F166 HydrophobicContact CB-CE1 3.81Å; R95-F166 HydrophobicContact CB-CZ 3.56Å; P117-F166 HydrophobicContact CB-CD1 3.8Å; P117-F166 HydrophobicContact CB-CE1 4.07Å; P117-F166 HydrophobicContact CG-CD1 3.71Å; P117-F166 HydrophobicContact CG-CE1 3.99Å; T162-F166 WeakPolarHBondContact O-CB 3.41Å; T162-F166 PolarHBondContact O-N 3.41Å; R163-F166 PolarHBondContact O-N 2.86Å; T164-F166 VanDerWaalsContact C-N 3.31Å; T164-F166 PolarHBondContact O-N 3.46Å; F166-I168 VanDerWaalsContact C-N 3.34Å; F166-I168 PolarHBondContact O-N 3.15Å; F166-L169 PolarHBondContact O-N 3.33Å; F166-E170 HydrophobicContact CE1-CB 4.23Å; F166-E170 HydrophobicContact CE1-CG 4.44Å; F166-E170 WeakPolarHBondContact O-CB 3.46Å; F166-E170 PolarHBondContact O-N 3.39Å; F166-L180 HydrophobicContact CD2-CD2 3.91Å; F166-L180 HydrophobicContact CD2-CG 4.38Å; F166-L180 HydrophobicContact CE2-CD2 3.79Å; F166-L180 HydrophobicContact CE2-CG 3.79Å; F166-L180 HydrophobicContact CZ-CD2 4.37Å; F166-L180 HydrophobicContact CZ-CG 4.29Å; F166-M183 HydrophobicContact CB-CE 3.97Å; F166-M183 HydrophobicContact CB-SD 4.07Å; F166-M183 HydrophobicContact CD2-CB 4.31Å; F166-M183 HydrophobicContact CD2-CG 3.89Å; F166-M183 HydrophobicContact CD2-SD 4.08Å |
| 167 | E | 98.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 27.4 Ų | 27.4 | 13% | 0.131 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -36.3 | -178.2 | -69 | 169.2 | 167.5 | 0 | 0 | 112.8 | P117 R163 T164 V165 R171 W391 R395 | P117-E167 HydrophobicContact CG-CG 3.94Å; R163-E167 HydrophobicContact CG-CG 4.44Å; R163-E167 WeakPolarHBondContact CG-OE1 3.25Å; R163-E167 VanDerWaalsContact O-CG 3.3Å; R163-E167 WeakPolarHBondContact O-CG 3.37Å; R163-E167 PolarHBondContact O-N 3.15Å; T164-E167 PolarHBondContact O-N 2.94Å; V165-E167 PolarHBondContact O-N 2.89Å; E167-R171 PolarHBondContact O-N 3.13Å; E167-W391 HydrophobicContact CB-CH2 3.96Å; E167-W391 HydrophobicContact CB-CZ3 4.37Å; E167-R395 IonicContact OE2-CZ 2.86Å; E167-R395 VanDerWaalsContact OE2-CZ 3.26Å; E167-R395 IonicContact OE2-NE 3.13Å; E167-R395 PolarHBondContact OE2-NE 3.21Å; E167-R395 IonicContact OE2-NH2 3.86Å; E167-R395 PolarHBondContact OE2-NH2 3.47Å |
| 168 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -49 | 175.7 | -74.5 | 168.4 | 0 | 0 | 0 | 110.6 | Y60 L61 L64 T164 V165 F166 R171 A172 W391 R395 V396 | Y60-I168 HydrophobicContact CD1-CG2 4.49Å; Y60-I168 HydrophobicContact CE1-CG2 3.69Å; L61-I168 HydrophobicContact CD2-CG2 3.83Å; L64-I168 HydrophobicContact CD1-CG2 3.47Å; L64-I168 VanDerWaalsContact CD1-CG2 3.47Å; T164-I168 HydrophobicContact CG2-CD1 3.62Å; T164-I168 HydrophobicContact CG2-CG1 4.4Å; T164-I168 WeakPolarHBondContact O-CB 3.29Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.36Å; T164-I168 PolarHBondContact O-N 3.25Å; V165-I168 PolarHBondContact O-N 2.9Å; F166-I168 VanDerWaalsContact C-N 3.34Å; F166-I168 PolarHBondContact O-N 3.15Å; I168-R171 PolarHBondContact O-N 3.26Å; I168-A172 WeakPolarHBondContact O-CB 3.39Å; I168-A172 PolarHBondContact O-N 3.29Å; I168-A172 VanDerWaalsContact O-N 3.08Å; I168-W391 HydrophobicContact CG1-CZ3 4.32Å; I168-R395 HydrophobicContact CG1-CB 4.43Å; I168-R395 HydrophobicContact CG1-CG 4.31Å; I168-V396 HydrophobicContact CD1-CG2 3.45Å; I168-V396 VanDerWaalsContact CD1-CG2 3.45Å |
| 169 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.8 | -34.5 | 179.2 | -65.2 | 177.1 | 0 | 0 | 0 | 111.5 | V57 Y60 L61 V165 F166 R171 A172 W173 L180 M183 W207 F252 | V57-L169 HydrophobicContact CG1-CD1 4.22Å; V57-L169 HydrophobicContact CG1-CD2 4.13Å; Y60-L169 HydrophobicContact CD1-CD2 4.15Å; Y60-L169 HydrophobicContact CE1-CD2 4.39Å; L61-L169 HydrophobicContact CD2-CD2 4.31Å; V165-L169 HydrophobicContact CG1-CD1 3.79Å; V165-L169 HydrophobicContact CG1-CG 4.32Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.25Å; F166-L169 PolarHBondContact O-N 3.33Å; L169-R171 PolarHBondContact O-N 3.13Å; L169-A172 PolarHBondContact O-N 3.06Å; L169-W173 WeakPolarHBondContact O-CB 3.45Å; L169-W173 PolarHBondContact O-N 3.02Å; L169-L180 HydrophobicContact CB-CD2 3.8Å; L169-M183 HydrophobicContact CD1-SD 4.03Å; L169-W207 HydrophobicContact CD1-CZ3 4.26Å; L169-F252 HydrophobicContact CD2-CE2 4.25Å |
| 170 | E | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 26 Ų | 26 | 12% | 0.121 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.6 | -48.9 | 175.2 | 180 | -176.9 | -149.8 | 0 | 0 | 110.8 | R95 R113 F166 W173 D174 L180 | R95-E170 VanDerWaalsContact CG-OE1 3.3Å; R95-E170 WeakPolarHBondContact CG-OE1 3.48Å; R95-E170 IonicContact CZ-OE1 2.83Å; R95-E170 IonicContact CZ-OE2 2.99Å; R95-E170 IonicContact NE-OE1 3.83Å; R95-E170 PolarHBondContact NE-OE1 3.05Å; R95-E170 IonicContact NE-OE2 3.65Å; R95-E170 PolarHBondContact NE-OE2 2.78Å; R95-E170 IonicContact NH2-OE1 3.2Å; R95-E170 IonicContact NH2-OE2 3.14Å; R95-E170 PolarHBondContact NH2-OE2 3.06Å; R113-E170 IonicContact NH2-OE1 3.24Å; F166-E170 HydrophobicContact CE1-CB 4.23Å; F166-E170 HydrophobicContact CE1-CG 4.44Å; F166-E170 WeakPolarHBondContact O-CB 3.46Å; F166-E170 PolarHBondContact O-N 3.39Å; E170-W173 PolarHBondContact O-N 3.01Å; E170-D174 WeakPolarHBondContact O-CB 3.45Å; E170-D174 PolarHBondContact O-N 3.03Å; E170-L180 HydrophobicContact CB-CB 4.33Å; E170-L180 HydrophobicContact CB-CD2 4.2Å |
| 171 | R | 97.9 | Very high | 98.3 | Very high | 100 Ų | 100 | 24.4 Ų | 24.4 | 38% | 0.377 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -70.4 | -34.6 | 178 | -74.1 | -172.2 | 180 | -113 | -1.7 | 113.6 | E167 I168 L169 D174 S175 H388 W391 | E167-R171 PolarHBondContact O-N 3.13Å; I168-R171 PolarHBondContact O-N 3.26Å; L169-R171 PolarHBondContact O-N 3.13Å; R171-D174 PolarHBondContact O-N 3.07Å; R171-S175 PolarHBondContact O-N 2.95Å; R171-H388 HydrophobicContact CB-CB 4.26Å; R171-W391 HydrophobicContact CG-CE3 4.45Å; R171-W391 HydrophobicContact CG-CZ3 4.49Å; R171-W391 VanDerWaalsContact CZ-NE1 3.27Å; R171-W391 VanDerWaalsContact NE-CD2 3.34Å; R171-W391 VanDerWaalsContact NE-CZ2 3.29Å |
| 172 | A | 98 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y60 I168 L169 S175 F252 | Y60-A172 HydrophobicContact CE1-CB 3.87Å; I168-A172 WeakPolarHBondContact O-CB 3.39Å; I168-A172 PolarHBondContact O-N 3.29Å; I168-A172 VanDerWaalsContact O-N 3.08Å; L169-A172 PolarHBondContact O-N 3.06Å; A172-S175 WeakPolarHBondContact O-CB 3.49Å; A172-S175 PolarHBondContact O-N 3.45Å; A172-S175 PolarHBondContact O-OG 3.02Å; A172-F252 HydrophobicContact CB-CD1 4.19Å; A172-F252 HydrophobicContact CB-CD2 3.53Å; A172-F252 HydrophobicContact CB-CE1 4.07Å; A172-F252 HydrophobicContact CB-CE2 3.38Å; A172-F252 HydrophobicContact CB-CG 3.92Å; A172-F252 HydrophobicContact CB-CZ 3.65Å; A172-F252 WeakPolarHBondContact O-CE1 3.49Å |
| 173 | W | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | 173.2 | -80.8 | 117.2 | 0 | 0 | 0 | 112.9 | L169 E170 S175 V176 G177 C178 L180 W207 L209 W244 V245 Q248 L249 F252 | L169-W173 WeakPolarHBondContact O-CB 3.45Å; L169-W173 PolarHBondContact O-N 3.02Å; E170-W173 PolarHBondContact O-N 3.01Å; W173-S175 VanDerWaalsContact C-N 3.26Å; W173-S175 PolarHBondContact O-N 3.26Å; W173-V176 HydrophobicContact CE3-CG2 3.71Å; W173-V176 HydrophobicContact CZ3-CG2 4.14Å; W173-V176 CarbonylContact O-C 3.59Å; W173-V176 WeakPolarHBondContact O-CG2 3.42Å; W173-V176 PolarHBondContact O-N 3.47Å; W173-V176 VanDerWaalsContact O-N 3.12Å; W173-G177 PolarHBondContact O-N 3.4Å; W173-C178 CarbonylContact C-O 3.56Å; W173-C178 HydrophobicContact CB-CB 4.34Å; W173-C178 WeakPolarHBondContact CB-O 3.47Å; W173-C178 HydrophobicContact CD2-CB 4.49Å; W173-C178 HydrophobicContact CE3-CB 3.74Å; W173-C178 HydrophobicContact CZ3-CB 4.49Å; W173-C178 PolarHBondContact O-N 3.35Å; W173-C178 VanDerWaalsContact O-O 3.09Å; W173-L180 HydrophobicContact CB-CB 4.37Å; W173-W207 AromaticContact CE2-CH2 3.99Å; W173-W207 AromaticContact CZ2-CH2 3.67Å; W173-W207 HydrophobicContact CZ2-CH2 3.67Å; W173-W207 AromaticContact CZ2-CZ2 3.63Å; W173-W207 HydrophobicContact CZ2-CZ2 3.63Å; W173-W207 HydrophobicContact CZ2-CZ3 4.39Å; W173-W207 AromaticContact NE1-CE3 3.87Å; W173-W207 AromaticContact NE1-CH2 3.68Å; W173-W207 AromaticContact NE1-CZ3 3.5Å; W173-L209 HydrophobicContact CD2-CD1 4.17Å; W173-L209 HydrophobicContact CD2-CD2 3.68Å; W173-L209 HydrophobicContact CE3-CD1 4.41Å; W173-L209 HydrophobicContact CE3-CD2 4.32Å; W173-L209 HydrophobicContact CG-CD2 3.75Å; W173-L209 HydrophobicContact CH2-CD1 3.79Å; W173-L209 HydrophobicContact CZ2-CD1 3.49Å; W173-L209 VanDerWaalsContact CZ2-CD1 3.49Å; W173-L209 HydrophobicContact CZ2-CD2 4.4Å; W173-L209 HydrophobicContact CZ3-CD1 4.21Å; W173-W244 HydrophobicContact CZ3-CZ3 4.36Å; W173-V245 HydrophobicContact CH2-CB 4.4Å; W173-V245 HydrophobicContact CH2-CG1 3.76Å; W173-V245 HydrophobicContact CZ2-CG1 3.99Å; W173-Q248 HydrophobicContact CH2-CB 4.01Å; W173-Q248 HydrophobicContact CZ3-CB 3.51Å; W173-Q248 HydrophobicContact CZ3-CG 4.16Å; W173-L249 HydrophobicContact CH2-CD2 4.22Å; W173-L249 HydrophobicContact CH2-CG 3.98Å; W173-L249 HydrophobicContact CZ2-CD2 3.74Å; W173-L249 HydrophobicContact CZ2-CG 3.92Å; W173-F252 HydrophobicContact CB-CZ 4.49Å; W173-F252 AromaticContact CD1-CZ 3.89Å; W173-F252 HydrophobicContact CD2-CE1 4.03Å; W173-F252 AromaticContact CD2-CZ 3.55Å; W173-F252 HydrophobicContact CD2-CZ 3.55Å; W173-F252 AromaticContact CE2-CZ 3.57Å; W173-F252 HydrophobicContact CE3-CE1 4.03Å; W173-F252 HydrophobicContact CE3-CZ 4.04Å; W173-F252 HydrophobicContact CG-CE1 4.44Å; W173-F252 AromaticContact CG-CZ 3.76Å; W173-F252 HydrophobicContact CG-CZ 3.76Å; W173-F252 HydrophobicContact CH2-CZ 4.46Å; W173-F252 HydrophobicContact CZ2-CZ 4.03Å; W173-F252 HydrophobicContact CZ3-CE1 4.35Å; W173-F252 HydrophobicContact CZ3-CZ 4.49Å; W173-F252 AromaticContact NE1-CZ 3.79Å |
| 174 | D | 97.7 | Very high | 98.4 | Very high | 114 Ų | 114 | 24.1 Ų | 24.1 | 61% | 0.61 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -60.4 | -37.2 | 175.3 | -172.7 | 65.7 | 0 | 0 | 0 | 111.6 | E170 R171 V176 G177 C178 | E170-D174 WeakPolarHBondContact O-CB 3.45Å; E170-D174 PolarHBondContact O-N 3.03Å; R171-D174 PolarHBondContact O-N 3.07Å; D174-V176 PolarHBondContact O-N 3.2Å; D174-V176 VanDerWaalsContact O-N 3.08Å; D174-G177 PolarHBondContact O-N 3.24Å; D174-C178 PolarHBondContact N-O 3.37Å |
| 175 | S | 96 | Very high | 98.4 | Very high | 58 Ų | 58 | 24.3 Ų | 24.3 | 41% | 0.406 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.9 | 177.2 | 83 | 0 | 0 | 0 | 0 | 114.6 | R171 A172 W173 H388 | R171-S175 PolarHBondContact O-N 2.95Å; A172-S175 WeakPolarHBondContact O-CB 3.49Å; A172-S175 PolarHBondContact O-N 3.45Å; A172-S175 PolarHBondContact O-OG 3.02Å; W173-S175 VanDerWaalsContact C-N 3.26Å; W173-S175 PolarHBondContact O-N 3.26Å; S175-H388 WeakPolarHBondContact CB-ND1 3.3Å; S175-H388 PolarHBondContact OG-CE1 3.42Å |
| 176 | V | 96.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 25 Ų | 25 | 20% | 0.2 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 18.4 | 175.7 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | W173 D174 C178 Q248 N251 F252 | W173-V176 HydrophobicContact CE3-CG2 3.71Å; W173-V176 HydrophobicContact CZ3-CG2 4.14Å; W173-V176 CarbonylContact O-C 3.59Å; W173-V176 WeakPolarHBondContact O-CG2 3.42Å; W173-V176 PolarHBondContact O-N 3.47Å; W173-V176 VanDerWaalsContact O-N 3.12Å; D174-V176 PolarHBondContact O-N 3.2Å; D174-V176 VanDerWaalsContact O-N 3.08Å; V176-C178 HydrophobicContact CG2-CB 4.49Å; V176-Q248 HydrophobicContact CG2-CB 4.26Å; V176-N251 HydrophobicContact CG1-CB 3.94Å; V176-F252 HydrophobicContact CG2-CE1 4.11Å |
| 177 | G | 97.7 | Very high | 98.4 | Very high | 45 Ų | 45 | 25 Ų | 25 | 46% | 0.464 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 30.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W173 D174 G212 | W173-G177 PolarHBondContact O-N 3.4Å; D174-G177 PolarHBondContact O-N 3.24Å; G177-G212 PolarHBondContact O-N 2.91Å |
| 178 | C | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.7 | 179 | -164.4 | 0 | 0 | 0 | 0 | 111.5 | W173 D174 V176 W244 | W173-C178 CarbonylContact C-O 3.56Å; W173-C178 HydrophobicContact CB-CB 4.34Å; W173-C178 WeakPolarHBondContact CB-O 3.47Å; W173-C178 HydrophobicContact CD2-CB 4.49Å; W173-C178 HydrophobicContact CE3-CB 3.74Å; W173-C178 HydrophobicContact CZ3-CB 4.49Å; W173-C178 PolarHBondContact O-N 3.35Å; W173-C178 VanDerWaalsContact O-O 3.09Å; D174-C178 PolarHBondContact N-O 3.37Å; V176-C178 HydrophobicContact CG2-CB 4.49Å; C178-W244 HydrophobicContact CB-CH2 4.39Å |
| 179 | T | 98.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 23.6 Ų | 23.6 | 23% | 0.227 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.9 | 174.9 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | L96 V181 W210 G213 | L96-T179 HydrophobicContact CD1-CG2 4.36Å; T179-V181 HydrophobicContact CG2-CG2 4.15Å; T179-W210 PolarHBondContact N-O 3.11Å; T179-W210 PolarHBondContact O-N 3.47Å; T179-G213 WeakPolarHBondContact OG1-CA 3.43Å |
| 180 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.6 | 164.5 | -177.5 | 66 | 0 | 0 | 0 | 109.7 | F166 L169 E170 W173 W207 L209 | F166-L180 HydrophobicContact CD2-CD2 3.91Å; F166-L180 HydrophobicContact CD2-CG 4.38Å; F166-L180 HydrophobicContact CE2-CD2 3.79Å; F166-L180 HydrophobicContact CE2-CG 3.79Å; F166-L180 HydrophobicContact CZ-CD2 4.37Å; F166-L180 HydrophobicContact CZ-CG 4.29Å; L169-L180 HydrophobicContact CB-CD2 3.8Å; E170-L180 HydrophobicContact CB-CB 4.33Å; E170-L180 HydrophobicContact CB-CD2 4.2Å; W173-L180 HydrophobicContact CB-CB 4.37Å; L180-W207 HydrophobicContact CD1-CB 3.7Å; L180-W207 HydrophobicContact CD1-CD2 4.37Å; L180-W207 HydrophobicContact CD1-CE3 4.23Å; L180-W207 HydrophobicContact CD1-CG 4.19Å; L180-L209 HydrophobicContact CB-CD2 4.25Å; L180-L209 HydrophobicContact CD1-CD2 3.7Å |
| 181 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -53 | -170.8 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | R95 L96 T98 T179 R208 W210 | R95-V181 PolarHBondContact N-O 2.67Å; L96-V181 HydrophobicContact CB-CG1 4.14Å; L96-V181 HydrophobicContact CD1-CG2 4.36Å; L96-V181 PolarHBondContact N-O 3.43Å; T98-V181 HydrophobicContact CG2-CG1 3.79Å; T179-V181 HydrophobicContact CG2-CG2 4.15Å; V181-R208 HydrophobicContact CB-CB 3.76Å; V181-R208 HydrophobicContact CG1-CB 4.18Å; V181-R208 HydrophobicContact CG2-CB 4.41Å; V181-R208 PolarHBondContact N-O 3.31Å; V181-W210 HydrophobicContact CG1-CH2 4.04Å; V181-W210 HydrophobicContact CG1-CZ2 4.02Å; V181-W210 HydrophobicContact CG2-CB 4.44Å; V181-W210 HydrophobicContact CG2-CD2 3.33Å; V181-W210 HydrophobicContact CG2-CE3 3.5Å; V181-W210 HydrophobicContact CG2-CG 3.79Å; V181-W210 HydrophobicContact CG2-CH2 4.01Å; V181-W210 HydrophobicContact CG2-CZ2 3.88Å; V181-W210 HydrophobicContact CG2-CZ3 3.84Å |
| 182 | D | 98.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.032 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 161.7 | 173.4 | 57.3 | 43.1 | 0 | 0 | 0 | 110 | A93 R94 W207 R208 | A93-D182 CarbonylContact O-C 3.53Å; A93-D182 WeakPolarHBondContact O-CA 3.45Å; A93-D182 WeakPolarHBondContact O-CB 3.11Å; R94-D182 HydrophobicContact CB-CB 4.12Å; R94-D182 HydrophobicContact CG-CB 3.82Å; R94-D182 IonicContact NH1-OD2 3.56Å; R94-D182 PolarHBondContact NH1-OD2 2.74Å; D182-W207 CarbonylContact O-C 3.47Å; D182-W207 VanDerWaalsContact O-CA 3.27Å; D182-W207 WeakPolarHBondContact O-CA 3.37Å; D182-W207 WeakPolarHBondContact O-CB 3.38Å; D182-R208 PolarHBondContact O-N 2.76Å; D182-R208 WeakPolarHBondContact OD1-CD 3.47Å; D182-R208 WeakPolarHBondContact OD1-CG 3.36Å; D182-R208 IonicContact OD1-CZ 3.59Å; D182-R208 IonicContact OD1-NH1 2.74Å; D182-R208 PolarHBondContact OD1-NH1 2.99Å; D182-R208 IonicContact OD2-CZ 3.94Å; D182-R208 IonicContact OD2-NH1 2.78Å; D182-R208 PolarHBondContact OD2-NH1 3.36Å |
| 183 | M | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 156.9 | 172.8 | 87.9 | -177.1 | -165.3 | 0 | 0 | 110.7 | V92 A93 V165 F166 L169 V185 S206 W207 | V92-M183 CarbonylContact C-O 3.29Å; V92-M183 VanDerWaalsContact CA-O 3.26Å; V92-M183 WeakPolarHBondContact CA-O 3.47Å; A93-M183 HydrophobicContact CB-CG 4.46Å; A93-M183 PolarHBondContact N-O 3Å; A93-M183 PolarHBondContact O-N 3.25Å; V165-M183 HydrophobicContact CB-CE 3.69Å; V165-M183 HydrophobicContact CG1-CE 3.46Å; V165-M183 VanDerWaalsContact CG1-CE 3.46Å; V165-M183 HydrophobicContact CG1-SD 4.15Å; F166-M183 HydrophobicContact CB-CE 3.97Å; F166-M183 HydrophobicContact CB-SD 4.07Å; F166-M183 HydrophobicContact CD2-CB 4.31Å; F166-M183 HydrophobicContact CD2-CG 3.89Å; F166-M183 HydrophobicContact CD2-SD 4.08Å; L169-M183 HydrophobicContact CD1-SD 4.03Å; M183-V185 HydrophobicContact CE-CB 4.43Å; M183-V185 HydrophobicContact CE-CG1 3.42Å; M183-V185 VanDerWaalsContact CE-CG1 3.42Å; M183-V185 HydrophobicContact CE-CG2 4.15Å; M183-V185 HydrophobicContact SD-CG1 4.26Å; M183-S206 CarbonylContact C-O 3.55Å; M183-S206 VanDerWaalsContact CA-O 3.25Å; M183-S206 WeakPolarHBondContact CA-O 3.29Å; M183-W207 HydrophobicContact CB-CB 3.98Å |
| 184 | K | 98.7 | Very high | 97 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 24% | 0.243 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.2 | 167.1 | 178.9 | -175.6 | 67.1 | 171.9 | 0 | 109.8 | E90 W91 V92 E186 S206 | E90-K184 HydrophobicContact CB-CD 3.59Å; E90-K184 HydrophobicContact CB-CG 4Å; E90-K184 HydrophobicContact CG-CD 3.77Å; E90-K184 IonicContact OE1-NZ 3.41Å; E90-K184 PolarHBondContact OE1-NZ 3.3Å; E90-K184 WeakPolarHBondContact OE2-CD 3.48Å; E90-K184 IonicContact OE2-NZ 2.86Å; E90-K184 PolarHBondContact OE2-NZ 2.98Å; E90-K184 VanDerWaalsContact OE2-NZ 3.13Å; W91-K184 CarbonylContact O-C 3.58Å; W91-K184 WeakPolarHBondContact O-CA 3.48Å; V92-K184 HydrophobicContact CG2-CB 4.21Å; V92-K184 HydrophobicContact CG2-CG 4.28Å; K184-E186 IonicContact NZ-OE1 2.75Å; K184-S206 PolarHBondContact N-O 2.87Å |
| 185 | V | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 163.9 | 166.1 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | W91 T162 M183 F187 L198 I202 | W91-V185 HydrophobicContact CB-CG2 3.99Å; W91-V185 PolarHBondContact N-O 3.12Å; W91-V185 PolarHBondContact O-N 3.45Å; T162-V185 HydrophobicContact CG2-CG2 4.06Å; M183-V185 HydrophobicContact CE-CB 4.43Å; M183-V185 HydrophobicContact CE-CG1 3.42Å; M183-V185 VanDerWaalsContact CE-CG1 3.42Å; M183-V185 HydrophobicContact CE-CG2 4.15Å; M183-V185 HydrophobicContact SD-CG1 4.26Å; V185-F187 HydrophobicContact CG2-CE2 4.07Å; V185-F187 HydrophobicContact CG2-CZ 4.49Å; V185-L198 HydrophobicContact CB-CD1 3.67Å; V185-L198 HydrophobicContact CG1-CD1 4.02Å; V185-L198 HydrophobicContact CG2-CD1 4Å; V185-I202 HydrophobicContact CG1-CD1 3.69Å; V185-I202 HydrophobicContact CG1-CG1 4.08Å |
| 186 | E | 98.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.1 | 175.3 | -61.2 | -175.2 | -154 | 0 | 0 | 109.9 | M86 K124 K184 A199 D200 | M86-E186 HydrophobicContact CE-CB 3.74Å; K124-E186 IonicContact NZ-OE1 3.13Å; K124-E186 PolarHBondContact NZ-OE1 3.25Å; K124-E186 IonicContact NZ-OE2 2.92Å; K184-E186 IonicContact NZ-OE1 2.75Å; E186-A199 PolarHBondContact O-N 2.99Å; E186-D200 HydrophobicContact CB-CB 3.89Å; E186-D200 HydrophobicContact CG-CB 4.47Å |
| 187 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 152.3 | 178.2 | -66.9 | -96.2 | 0 | 0 | 0 | 110.2 | M86 I87 W91 M158 V161 T162 V185 I196 I197 L198 | M86-F187 WeakPolarHBondContact CE-O 3.34Å; I87-F187 HydrophobicContact CD1-CB 4.15Å; I87-F187 PolarHBondContact N-O 2.95Å; W91-F187 HydrophobicContact CB-CE2 4.27Å; W91-F187 AromaticContact CD1-CD2 3.43Å; W91-F187 VanDerWaalsContact CD1-CD2 3.43Å; W91-F187 AromaticContact CD1-CE2 3.74Å; W91-F187 HydrophobicContact CD2-CD2 4.28Å; W91-F187 HydrophobicContact CD2-CE2 4.12Å; W91-F187 AromaticContact CG-CD2 3.93Å; W91-F187 HydrophobicContact CG-CD2 3.93Å; W91-F187 AromaticContact CG-CE2 3.76Å; W91-F187 HydrophobicContact CG-CE2 3.76Å; W91-F187 AromaticContact NE1-CD2 3.46Å; M158-F187 HydrophobicContact CB-CD2 4.11Å; M158-F187 HydrophobicContact CB-CE2 3.94Å; M158-F187 HydrophobicContact CB-CG 4.49Å; M158-F187 HydrophobicContact CB-CZ 4.18Å; M158-F187 HydrophobicContact CG-CB 4.35Å; M158-F187 HydrophobicContact CG-CD1 3.99Å; M158-F187 HydrophobicContact CG-CD2 3.91Å; M158-F187 HydrophobicContact CG-CE1 4.24Å; M158-F187 HydrophobicContact CG-CE2 4.16Å; M158-F187 HydrophobicContact CG-CG 3.82Å; M158-F187 HydrophobicContact CG-CZ 4.32Å; M158-F187 HydrophobicContact SD-CB 3.8Å; M158-F187 HydrophobicContact SD-CD2 3.99Å; M158-F187 HydrophobicContact SD-CG 3.87Å; V161-F187 HydrophobicContact CB-CE1 3.9Å; V161-F187 HydrophobicContact CB-CZ 3.89Å; V161-F187 HydrophobicContact CG1-CE1 3.62Å; V161-F187 HydrophobicContact CG1-CZ 3.79Å; T162-F187 WeakPolarHBondContact OG1-CE2 3.31Å; V185-F187 HydrophobicContact CG2-CE2 4.07Å; V185-F187 HydrophobicContact CG2-CZ 4.49Å; F187-I196 HydrophobicContact CB-CG2 3.98Å; F187-I196 HydrophobicContact CD1-CG2 3.96Å; F187-I196 HydrophobicContact CG-CG2 4.28Å; F187-I197 WeakPolarHBondContact CA-O 3.4Å; F187-L198 HydrophobicContact CE1-CB 4.33Å; F187-L198 HydrophobicContact CE1-CD1 4.29Å; F187-L198 HydrophobicContact CZ-CD1 4.29Å |
| 188 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 158.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V85 I196 I197 | V85-G188 CarbonylContact O-C 3.59Å; V85-G188 VanDerWaalsContact O-CA 3.31Å; V85-G188 WeakPolarHBondContact O-CA 3.46Å; G188-I196 CarbonylContact O-C 3.57Å; G188-I196 WeakPolarHBondContact O-CA 3.37Å; G188-I197 PolarHBondContact N-O 3.35Å; G188-I197 PolarHBondContact O-N 3.01Å |
| 189 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.6 | 167.2 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | C84 V85 I87 V145 V148 A191 I196 | C84-V189 CarbonylContact C-O 3.45Å; C84-V189 VanDerWaalsContact CA-O 3.24Å; C84-V189 WeakPolarHBondContact CA-O 3.43Å; V85-V189 PolarHBondContact N-O 3.26Å; V85-V189 PolarHBondContact O-N 3.18Å; I87-V189 HydrophobicContact CD1-CG2 4.21Å; I87-V189 HydrophobicContact CG1-CG2 4.24Å; V145-V189 HydrophobicContact CB-CG2 3.88Å; V145-V189 HydrophobicContact CG1-CB 4.16Å; V145-V189 HydrophobicContact CG1-CG2 3.77Å; V148-V189 HydrophobicContact CB-CG1 4.28Å; V148-V189 HydrophobicContact CB-CG2 4.28Å; V148-V189 HydrophobicContact CG2-CG1 3.63Å; V148-V189 HydrophobicContact CG2-CG2 4.48Å; V189-A191 PolarHBondContact O-N 2.94Å; V189-I196 HydrophobicContact CG2-CG1 4.26Å |
| 190 | H | 96.2 | Very high | 97 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 122 | 175.2 | -179.7 | -129.3 | 0 | 0 | 0 | 109.6 | R83 I192 T193 G194 N195 | R83-H190 PolarHBondContact O-CD2 2.98Å; R83-H190 VanDerWaalsContact O-CD2 3.29Å; H190-I192 PolarHBondContact O-N 3.09Å; H190-T193 WeakPolarHBondContact ND1-CG2 3.39Å; H190-T193 PolarHBondContact ND1-N 3.44Å; H190-T193 PolarHBondContact ND1-OG1 3.42Å; H190-T193 PolarHBondContact O-N 3.12Å; H190-G194 WeakPolarHBondContact O-CA 3.36Å; H190-G194 PolarHBondContact O-N 3.2Å; H190-N195 PolarHBondContact N-O 3.4Å |
| 191 | A | 89.9 | Confident | 96.9 | Very high | 38 Ų | 38 | 24.3 Ų | 24.3 | 31% | 0.314 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.3 | -165 | 0 | 0 | 0 | 0 | 0 | 114.1 | R83 V189 | R83-A191 HydrophobicContact CG-CB 4.39Å; R83-A191 PolarHBondContact O-N 2.96Å; V189-A191 PolarHBondContact O-N 2.94Å |
| 192 | I | 89.8 | Confident | 96.9 | Very high | 102 Ų | 102 | 24.3 Ų | 24.3 | 52% | 0.523 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -45.7 | -174.7 | -70.2 | 164.2 | 0 | 0 | 0 | 112 | D22 H190 | D22-I192 HydrophobicContact CB-CD1 3.64Å; D22-I192 WeakPolarHBondContact OD1-CD1 3.43Å; D22-I192 WeakPolarHBondContact OD2-CD1 3.28Å; H190-I192 PolarHBondContact O-N 3.09Å |
| 193 | T | 93.5 | Very high | 96.9 | Very high | 76 Ų | 76 | 24.3 Ų | 24.3 | 47% | 0.466 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10.9 | -175.6 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | H190 N195 | H190-T193 WeakPolarHBondContact ND1-CG2 3.39Å; H190-T193 PolarHBondContact ND1-N 3.44Å; H190-T193 PolarHBondContact ND1-OG1 3.42Å; H190-T193 PolarHBondContact O-N 3.12Å; T193-N195 PolarHBondContact O-N 2.99Å; T193-N195 PolarHBondContact OG1-N 3.34Å; T193-N195 PolarHBondContact OG1-ND2 2.83Å |
| 194 | G | 94.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | trans | 65.5 | 16.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V148 H190 | V148-G194 VanDerWaalsContact CG2-O 3.3Å; V148-G194 WeakPolarHBondContact CG2-O 3.46Å; H190-G194 WeakPolarHBondContact O-CA 3.36Å; H190-G194 PolarHBondContact O-N 3.2Å | ||
| 195 | N | 94.9 | Very high | 96.8 | Very high | 84 Ų | 84 | 22.7 Ų | 22.7 | 45% | 0.449 | 13% | 0.134 | S | C | . | . | trans | -85 | 133.5 | 179.9 | -73.3 | -44.5 | 0 | 0 | 0 | 109.7 | H190 T193 | H190-N195 PolarHBondContact N-O 3.4Å; T193-N195 PolarHBondContact O-N 2.99Å; T193-N195 PolarHBondContact OG1-N 3.34Å; T193-N195 PolarHBondContact OG1-ND2 2.83Å | ||
| 196 | I | 97.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 23.1 Ų | 23.1 | 12% | 0.118 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 132.2 | 167.2 | -57.9 | 177.5 | 0 | 0 | 0 | 108.6 | I87 I150 E154 F157 M158 F187 G188 V189 | I87-I196 HydrophobicContact CD1-CD1 4.35Å; I87-I196 HydrophobicContact CD1-CG1 4.4Å; I87-I196 HydrophobicContact CD1-CG2 4.11Å; I150-I196 HydrophobicContact CD1-CD1 4.02Å; E154-I196 HydrophobicContact CB-CD1 3.55Å; E154-I196 HydrophobicContact CG-CD1 3.5Å; F157-I196 HydrophobicContact CD1-CB 4.21Å; F157-I196 HydrophobicContact CD1-CG2 4.07Å; F157-I196 HydrophobicContact CE1-CB 3.83Å; F157-I196 HydrophobicContact CE1-CG2 3.72Å; M158-I196 HydrophobicContact CE-CD1 4.38Å; M158-I196 HydrophobicContact CG-CG2 3.86Å; M158-I196 HydrophobicContact SD-CG2 3.95Å; F187-I196 HydrophobicContact CB-CG2 3.98Å; F187-I196 HydrophobicContact CD1-CG2 3.96Å; F187-I196 HydrophobicContact CG-CG2 4.28Å; G188-I196 CarbonylContact O-C 3.57Å; G188-I196 WeakPolarHBondContact O-CA 3.37Å; V189-I196 HydrophobicContact CG2-CG1 4.26Å |
| 197 | I | 98 | Very high | 96.8 | Very high | 21 Ų | 21 | 22.7 Ų | 22.7 | 11% | 0.108 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.1 | -177.3 | -163.9 | 163.4 | 0 | 0 | 0 | 111 | T68 H69 L82 F187 G188 A199 | T68-I197 WeakPolarHBondContact O-CD1 3.26Å; H69-I197 HydrophobicContact CB-CG2 4.09Å; L82-I197 HydrophobicContact CD1-CD1 4.06Å; F187-I197 WeakPolarHBondContact CA-O 3.4Å; G188-I197 PolarHBondContact N-O 3.35Å; G188-I197 PolarHBondContact O-N 3.01Å; I197-A199 PolarHBondContact O-N 2.84Å |
| 198 | L | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 123.9 | 170.7 | -177.4 | 68.7 | 0 | 0 | 0 | 108.8 | F58 L61 T68 H69 V165 V185 F187 I202 | F58-L198 HydrophobicContact CE1-CD2 3.97Å; F58-L198 HydrophobicContact CE1-CG 4.15Å; L61-L198 HydrophobicContact CD1-CD2 3.86Å; T68-L198 HydrophobicContact CG2-CB 4.36Å; T68-L198 HydrophobicContact CG2-CD2 3.88Å; H69-L198 PolarHBondContact N-O 3.1Å; V165-L198 HydrophobicContact CG1-CD2 4.36Å; V165-L198 HydrophobicContact CG2-CD2 3.83Å; V185-L198 HydrophobicContact CB-CD1 3.67Å; V185-L198 HydrophobicContact CG1-CD1 4.02Å; V185-L198 HydrophobicContact CG2-CD1 4Å; F187-L198 HydrophobicContact CE1-CB 4.33Å; F187-L198 HydrophobicContact CE1-CD1 4.29Å; F187-L198 HydrophobicContact CZ-CD1 4.29Å; L198-I202 HydrophobicContact CD2-CD1 4.21Å |
| 199 | A | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | -161.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H69 M86 E186 I197 | H69-A199 HydrophobicContact CB-CB 4.25Å; H69-A199 WeakPolarHBondContact ND1-CB 3.43Å; M86-A199 HydrophobicContact CE-CB 3.95Å; M86-A199 HydrophobicContact SD-CB 3.93Å; E186-A199 PolarHBondContact O-N 2.99Å; I197-A199 PolarHBondContact O-N 2.84Å |
| 200 | D | 97.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 24.6 Ų | 24.6 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 59.3 | -135 | -174.6 | -154.3 | -88.8 | 0 | 0 | 0 | 113.2 | K13 F58 H69 M86 E186 | K13-D200 WeakPolarHBondContact CE-OD2 3.23Å; K13-D200 IonicContact NZ-OD1 3.99Å; K13-D200 PolarHBondContact NZ-OD1 3.12Å; K13-D200 IonicContact NZ-OD2 3.89Å; K13-D200 PolarHBondContact NZ-OD2 3.22Å; F58-D200 WeakPolarHBondContact CE2-O 3.42Å; H69-D200 PolarHBondContact CE1-N 3.43Å; H69-D200 PolarHBondContact CE1-O 3.06Å; H69-D200 PolarHBondContact NE2-O 2.82Å; M86-D200 HydrophobicContact CE-CB 3.87Å; E186-D200 HydrophobicContact CB-CB 3.89Å; E186-D200 HydrophobicContact CG-CB 4.47Å |
| 201 | V | 98.3 | Very high | 97 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | trans | -131.3 | 149.3 | 178.4 | -57 | 0 | 0 | 0 | 0 | 110.8 | K13 T54 F79 S206 | K13-V201 HydrophobicContact CD-CG1 4.15Å; T54-V201 HydrophobicContact CG2-CB 3.94Å; T54-V201 HydrophobicContact CG2-CG1 4.14Å; F79-V201 HydrophobicContact CE1-CG1 4.09Å; F79-V201 HydrophobicContact CZ-CG1 4.29Å; V201-S206 PolarHBondContact O-OG 3.29Å | ||
| 202 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -121.5 | 97.7 | 166.9 | -55.7 | 179.8 | 0 | 0 | 0 | 106.9 | T54 V57 F58 L61 V165 V185 L198 W207 | T54-I202 VanDerWaalsContact CA-O 3.31Å; T54-I202 WeakPolarHBondContact CA-O 3.38Å; T54-I202 PolarHBondContact OG1-O 3.37Å; V57-I202 HydrophobicContact CB-CB 4.48Å; V57-I202 HydrophobicContact CG1-CB 3.9Å; V57-I202 HydrophobicContact CG1-CD1 4.05Å; V57-I202 HydrophobicContact CG1-CG2 3.92Å; V57-I202 HydrophobicContact CG2-CG2 4.48Å; F58-I202 HydrophobicContact CD1-CD1 4.42Å; F58-I202 HydrophobicContact CE1-CD1 3.71Å; F58-I202 HydrophobicContact CE1-CG1 3.9Å; F58-I202 HydrophobicContact CZ-CD1 4.43Å; F58-I202 HydrophobicContact CZ-CG1 4.14Å; L61-I202 HydrophobicContact CD1-CD1 4.42Å; V165-I202 HydrophobicContact CG1-CD1 4.39Å; V185-I202 HydrophobicContact CG1-CD1 3.69Å; V185-I202 HydrophobicContact CG1-CG1 4.08Å; L198-I202 HydrophobicContact CD2-CD1 4.21Å; I202-W207 HydrophobicContact CG2-CE3 3.93Å; I202-W207 HydrophobicContact CG2-CH2 4.42Å; I202-W207 HydrophobicContact CG2-CZ3 3.75Å | ||
| 203 | D | 98.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -128.3 | -169.9 | 178.7 | 73.1 | 3.3 | 0 | 0 | 0 | 111.9 | K46 S50 T53 D205 S206 | K46-D203 IonicContact NZ-OD2 3.82Å; S50-D203 VanDerWaalsContact CB-OD2 3.23Å; S50-D203 WeakPolarHBondContact CB-OD2 3.32Å; S50-D203 PolarHBondContact OG-OD2 3.37Å; T53-D203 HydrophobicContact CG2-CB 4.21Å; D203-D205 PolarHBondContact O-N 3.25Å; D203-D205 WeakPolarHBondContact OD1-CA 3.33Å; D203-D205 WeakPolarHBondContact OD1-CB 3.49Å; D203-D205 PolarHBondContact OD1-N 2.92Å; D203-S206 PolarHBondContact N-OG 3.01Å; D203-S206 WeakPolarHBondContact O-CB 3.26Å; D203-S206 PolarHBondContact O-N 2.69Å |
| 204 | S | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -4.7 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 115.1 | K221 F242 | S204-K221 WeakPolarHBondContact O-CB 3.4Å; S204-K221 PolarHBondContact O-N 2.95Å; S204-F242 VanDerWaalsContact CB-CD1 3.46Å |
| 205 | D | 97.4 | Very high | 98 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -19.6 | 171 | -56.2 | -16.7 | 0 | 0 | 0 | 112.1 | K46 D203 K221 | K46-D205 IonicContact NZ-OD1 3.55Å; K46-D205 IonicContact NZ-OD2 2.78Å; K46-D205 PolarHBondContact NZ-OD2 3.33Å; D203-D205 PolarHBondContact O-N 3.25Å; D203-D205 WeakPolarHBondContact OD1-CA 3.33Å; D203-D205 WeakPolarHBondContact OD1-CB 3.49Å; D203-D205 PolarHBondContact OD1-N 2.92Å; D205-K221 HydrophobicContact CB-CB 4.49Å; D205-K221 HydrophobicContact CB-CD 3.69Å; D205-K221 VanDerWaalsContact CG-CD 3.44Å; D205-K221 WeakPolarHBondContact OD1-CD 3.28Å |
| 206 | S | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -13.8 | -172.3 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | M183 K184 V201 D203 | M183-S206 CarbonylContact C-O 3.55Å; M183-S206 VanDerWaalsContact CA-O 3.25Å; M183-S206 WeakPolarHBondContact CA-O 3.29Å; K184-S206 PolarHBondContact N-O 2.87Å; V201-S206 PolarHBondContact O-OG 3.29Å; D203-S206 PolarHBondContact N-OG 3.01Å; D203-S206 WeakPolarHBondContact O-CB 3.26Å; D203-S206 PolarHBondContact O-N 2.69Å |
| 207 | W | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 173.1 | -175.4 | 52.4 | 32.7 | 0 | 0 | 0 | 114.1 | T53 V57 L169 W173 L180 D182 M183 I202 L209 D220 V245 L249 | T53-W207 HydrophobicContact CG2-CH2 4.28Å; T53-W207 HydrophobicContact CG2-CZ2 3.93Å; V57-W207 HydrophobicContact CG2-CH2 3.58Å; V57-W207 HydrophobicContact CG2-CZ3 3.97Å; L169-W207 HydrophobicContact CD1-CZ3 4.26Å; W173-W207 AromaticContact CE2-CH2 3.99Å; W173-W207 AromaticContact CZ2-CH2 3.67Å; W173-W207 HydrophobicContact CZ2-CH2 3.67Å; W173-W207 AromaticContact CZ2-CZ2 3.63Å; W173-W207 HydrophobicContact CZ2-CZ2 3.63Å; W173-W207 HydrophobicContact CZ2-CZ3 4.39Å; W173-W207 AromaticContact NE1-CE3 3.87Å; W173-W207 AromaticContact NE1-CH2 3.68Å; W173-W207 AromaticContact NE1-CZ3 3.5Å; L180-W207 HydrophobicContact CD1-CB 3.7Å; L180-W207 HydrophobicContact CD1-CD2 4.37Å; L180-W207 HydrophobicContact CD1-CE3 4.23Å; L180-W207 HydrophobicContact CD1-CG 4.19Å; D182-W207 CarbonylContact O-C 3.47Å; D182-W207 VanDerWaalsContact O-CA 3.27Å; D182-W207 WeakPolarHBondContact O-CA 3.37Å; D182-W207 WeakPolarHBondContact O-CB 3.38Å; M183-W207 HydrophobicContact CB-CB 3.98Å; I202-W207 HydrophobicContact CG2-CE3 3.93Å; I202-W207 HydrophobicContact CG2-CH2 4.42Å; I202-W207 HydrophobicContact CG2-CZ3 3.75Å; W207-L209 HydrophobicContact CD2-CD1 4.19Å; W207-L209 HydrophobicContact CD2-CG 4.3Å; W207-L209 HydrophobicContact CG-CD1 4.33Å; W207-L209 HydrophobicContact CG-CG 4.06Å; W207-L209 HydrophobicContact CZ2-CD1 4.04Å; W207-L209 VanDerWaalsContact NE1-CD1 3.28Å; W207-D220 WeakPolarHBondContact O-CB 3.42Å; W207-V245 HydrophobicContact CZ2-CG1 3.9Å; W207-L249 HydrophobicContact CH2-CD1 4.44Å; W207-L249 HydrophobicContact CH2-CD2 4.34Å |
| 208 | R | 98.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 11% | 0.106 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.4 | 162.8 | -75.7 | -178.8 | -175.6 | 88.6 | 5.6 | 110.9 | V181 D182 D220 | V181-R208 HydrophobicContact CB-CB 3.76Å; V181-R208 HydrophobicContact CG1-CB 4.18Å; V181-R208 HydrophobicContact CG2-CB 4.41Å; V181-R208 PolarHBondContact N-O 3.31Å; D182-R208 PolarHBondContact O-N 2.76Å; D182-R208 WeakPolarHBondContact OD1-CD 3.47Å; D182-R208 WeakPolarHBondContact OD1-CG 3.36Å; D182-R208 IonicContact OD1-CZ 3.59Å; D182-R208 IonicContact OD1-NH1 2.74Å; D182-R208 PolarHBondContact OD1-NH1 2.99Å; D182-R208 IonicContact OD2-CZ 3.94Å; D182-R208 IonicContact OD2-NH1 2.78Å; D182-R208 PolarHBondContact OD2-NH1 3.36Å; R208-D220 WeakPolarHBondContact CA-OD2 3.23Å |
| 209 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.3 | -175.3 | -73.8 | -179.9 | 0 | 0 | 0 | 111 | W173 L180 W207 Q218 V219 D220 V245 | W173-L209 HydrophobicContact CD2-CD1 4.17Å; W173-L209 HydrophobicContact CD2-CD2 3.68Å; W173-L209 HydrophobicContact CE3-CD1 4.41Å; W173-L209 HydrophobicContact CE3-CD2 4.32Å; W173-L209 HydrophobicContact CG-CD2 3.75Å; W173-L209 HydrophobicContact CH2-CD1 3.79Å; W173-L209 HydrophobicContact CZ2-CD1 3.49Å; W173-L209 VanDerWaalsContact CZ2-CD1 3.49Å; W173-L209 HydrophobicContact CZ2-CD2 4.4Å; W173-L209 HydrophobicContact CZ3-CD1 4.21Å; L180-L209 HydrophobicContact CB-CD2 4.25Å; L180-L209 HydrophobicContact CD1-CD2 3.7Å; W207-L209 HydrophobicContact CD2-CD1 4.19Å; W207-L209 HydrophobicContact CD2-CG 4.3Å; W207-L209 HydrophobicContact CG-CD1 4.33Å; W207-L209 HydrophobicContact CG-CG 4.06Å; W207-L209 HydrophobicContact CZ2-CD1 4.04Å; W207-L209 VanDerWaalsContact NE1-CD1 3.28Å; L209-Q218 WeakPolarHBondContact O-CA 3.41Å; L209-V219 HydrophobicContact CB-CG2 3.59Å; L209-V219 HydrophobicContact CD1-CG2 4.24Å; L209-V219 PolarHBondContact O-N 3.32Å; L209-D220 PolarHBondContact N-OD2 3.39Å; L209-V245 HydrophobicContact CD1-CG1 4.36Å; L209-V245 HydrophobicContact CD1-CG2 4.1Å |
| 210 | W | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 101.7 | -179.3 | -62 | -12.3 | 0 | 0 | 0 | 110.3 | L96 T98 T179 V181 G212 G213 K215 | L96-W210 HydrophobicContact CD1-CE3 4.31Å; L96-W210 HydrophobicContact CD1-CZ3 3.76Å; T98-W210 HydrophobicContact CG2-CH2 4.49Å; T98-W210 HydrophobicContact CG2-CZ2 4.27Å; T179-W210 PolarHBondContact N-O 3.11Å; T179-W210 PolarHBondContact O-N 3.47Å; V181-W210 HydrophobicContact CG1-CH2 4.04Å; V181-W210 HydrophobicContact CG1-CZ2 4.02Å; V181-W210 HydrophobicContact CG2-CB 4.44Å; V181-W210 HydrophobicContact CG2-CD2 3.33Å; V181-W210 HydrophobicContact CG2-CE3 3.5Å; V181-W210 HydrophobicContact CG2-CG 3.79Å; V181-W210 HydrophobicContact CG2-CH2 4.01Å; V181-W210 HydrophobicContact CG2-CZ2 3.88Å; V181-W210 HydrophobicContact CG2-CZ3 3.84Å; W210-G212 PolarHBondContact O-N 3.46Å; W210-G213 PolarHBondContact O-N 3.14Å; W210-K215 HydrophobicContact CD2-CB 3.81Å; W210-K215 HydrophobicContact CD2-CG 4.22Å; W210-K215 HydrophobicContact CE3-CB 3.98Å; W210-K215 HydrophobicContact CG-CB 4.42Å; W210-K215 HydrophobicContact CH2-CB 4.16Å; W210-K215 HydrophobicContact CH2-CD 3.76Å; W210-K215 HydrophobicContact CH2-CG 4.11Å; W210-K215 HydrophobicContact CZ2-CB 3.96Å; W210-K215 HydrophobicContact CZ2-CD 3.55Å; W210-K215 HydrophobicContact CZ2-CG 3.58Å; W210-K215 HydrophobicContact CZ3-CB 4.15Å; W210-K215 HydrophobicContact CZ3-CD 4.49Å |
| 211 | P | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 13% | 0.13 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 130.9 | 171.3 | -25.2 | 34.8 | 0 | 0 | 0 | 111.3 | G213 D214 L217 V219 W244 | P211-G213 PolarHBondContact O-N 2.96Å; P211-D214 PolarHBondContact O-N 3.12Å; P211-L217 HydrophobicContact CB-CB 4.19Å; P211-L217 HydrophobicContact CB-CD1 4.44Å; P211-L217 VanDerWaalsContact CD-O 3.26Å; P211-L217 WeakPolarHBondContact CD-O 3.26Å; P211-L217 HydrophobicContact CG-CB 4.17Å; P211-V219 HydrophobicContact CG-CG1 3.76Å; P211-V219 HydrophobicContact CG-CG2 4.44Å; P211-W244 HydrophobicContact CB-CH2 4.38Å; P211-W244 HydrophobicContact CG-CH2 3.95Å; P211-W244 HydrophobicContact CG-CZ2 4.43Å; P211-W244 HydrophobicContact CG-CZ3 4.29Å |
| 212 | G | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 29.4 Ų | 29.4 | 75% | 0.753 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 10.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G177 W210 D214 | G177-G212 PolarHBondContact O-N 2.91Å; W210-G212 PolarHBondContact O-N 3.46Å; G212-D214 PolarHBondContact O-N 2.96Å |
| 213 | G | 97.4 | Very high | 98 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 36% | 0.361 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T179 W210 P211 | T179-G213 WeakPolarHBondContact OG1-CA 3.43Å; W210-G213 PolarHBondContact O-N 3.14Å; P211-G213 PolarHBondContact O-N 2.96Å |
| 214 | D | 97.7 | Very high | 98 | Very high | 74 Ų | 74 | 31 Ų | 31 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | trans | -90.8 | 112.2 | 179.7 | -173.2 | -13.9 | 0 | 0 | 0 | 111 | P211 G212 S216 L217 | P211-D214 PolarHBondContact O-N 3.12Å; G212-D214 PolarHBondContact O-N 2.96Å; D214-S216 PolarHBondContact O-N 3.43Å; D214-S216 VanDerWaalsContact OD1-CB 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.4Å; D214-S216 PolarHBondContact OD1-N 2.89Å; D214-S216 PolarHBondContact OD1-OG 3.05Å; D214-S216 PolarHBondContact OD2-OG 3.29Å; D214-S216 VanDerWaalsContact OD2-OG 3.06Å; D214-L217 HydrophobicContact CB-CB 4.44Å; D214-L217 HydrophobicContact CB-CD1 4.04Å; D214-L217 HydrophobicContact CB-CG 4.05Å; D214-L217 PolarHBondContact O-N 3.25Å | ||
| 215 | K | 97.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 33.9 Ų | 33.9 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -58.3 | -30.5 | 178 | -178.3 | 170.7 | 179.1 | 167.9 | 0 | 113.1 | T98 D110 W210 L217 Q218 | T98-K215 PolarHBondContact OG1-NZ 3.49Å; D110-K215 IonicContact OD1-NZ 2.72Å; D110-K215 IonicContact OD2-NZ 2.68Å; D110-K215 PolarHBondContact OD2-NZ 3.32Å; W210-K215 HydrophobicContact CD2-CB 3.81Å; W210-K215 HydrophobicContact CD2-CG 4.22Å; W210-K215 HydrophobicContact CE3-CB 3.98Å; W210-K215 HydrophobicContact CG-CB 4.42Å; W210-K215 HydrophobicContact CH2-CB 4.16Å; W210-K215 HydrophobicContact CH2-CD 3.76Å; W210-K215 HydrophobicContact CH2-CG 4.11Å; W210-K215 HydrophobicContact CZ2-CB 3.96Å; W210-K215 HydrophobicContact CZ2-CD 3.55Å; W210-K215 HydrophobicContact CZ2-CG 3.58Å; W210-K215 HydrophobicContact CZ3-CB 4.15Å; W210-K215 HydrophobicContact CZ3-CD 4.49Å; K215-L217 PolarHBondContact O-N 3.42Å; K215-Q218 WeakPolarHBondContact O-CB 3.46Å; K215-Q218 PolarHBondContact O-N 3.16Å |
| 216 | S | 96.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 37.1 Ų | 37.1 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -66.7 | -21.7 | 178 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | D214 | D214-S216 PolarHBondContact O-N 3.43Å; D214-S216 VanDerWaalsContact OD1-CB 3.29Å; D214-S216 WeakPolarHBondContact OD1-CB 3.4Å; D214-S216 PolarHBondContact OD1-N 2.89Å; D214-S216 PolarHBondContact OD1-OG 3.05Å; D214-S216 PolarHBondContact OD2-OG 3.29Å; D214-S216 VanDerWaalsContact OD2-OG 3.06Å |
| 217 | L | 97.8 | Very high | 97.8 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -91.9 | 10 | 178.9 | -59.1 | -177.6 | 0 | 0 | 0 | 113.3 | P211 D214 K215 V219 | P211-L217 HydrophobicContact CB-CB 4.19Å; P211-L217 HydrophobicContact CB-CD1 4.44Å; P211-L217 VanDerWaalsContact CD-O 3.26Å; P211-L217 WeakPolarHBondContact CD-O 3.26Å; P211-L217 HydrophobicContact CG-CB 4.17Å; D214-L217 HydrophobicContact CB-CB 4.44Å; D214-L217 HydrophobicContact CB-CD1 4.04Å; D214-L217 HydrophobicContact CB-CG 4.05Å; D214-L217 PolarHBondContact O-N 3.25Å; K215-L217 PolarHBondContact O-N 3.42Å; L217-V219 WeakPolarHBondContact O-CG1 3.29Å; L217-V219 PolarHBondContact O-N 2.92Å |
| 218 | Q | 98.1 | Very high | 97.6 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | trans | -47.5 | 132.9 | -174.2 | 66.5 | -176.8 | 7.2 | 0 | 0 | 113.6 | L209 K215 F223 D226 K241 | L209-Q218 WeakPolarHBondContact O-CA 3.41Å; K215-Q218 WeakPolarHBondContact O-CB 3.46Å; K215-Q218 PolarHBondContact O-N 3.16Å; Q218-F223 HydrophobicContact CG-CB 4.41Å; Q218-D226 PolarHBondContact NE2-OD2 3.41Å; Q218-K241 PolarHBondContact O-NZ 3.29Å | ||
| 219 | V | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | trans | -113.4 | 0.9 | -175.4 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | L209 P211 L217 K241 W244 V245 | L209-V219 HydrophobicContact CB-CG2 3.59Å; L209-V219 HydrophobicContact CD1-CG2 4.24Å; L209-V219 PolarHBondContact O-N 3.32Å; P211-V219 HydrophobicContact CG-CG1 3.76Å; P211-V219 HydrophobicContact CG-CG2 4.44Å; L217-V219 WeakPolarHBondContact O-CG1 3.29Å; L217-V219 PolarHBondContact O-N 2.92Å; V219-K241 HydrophobicContact CB-CB 4.19Å; V219-K241 HydrophobicContact CB-CG 4.49Å; V219-K241 HydrophobicContact CG1-CB 4.49Å; V219-K241 HydrophobicContact CG1-CG 4.37Å; V219-W244 HydrophobicContact CB-CE3 4.19Å; V219-W244 HydrophobicContact CB-CZ3 4.42Å; V219-W244 HydrophobicContact CG1-CE3 3.93Å; V219-W244 HydrophobicContact CG1-CZ3 4.19Å; V219-W244 HydrophobicContact CG2-CE3 3.95Å; V219-W244 HydrophobicContact CG2-CZ3 3.75Å; V219-V245 HydrophobicContact CB-CG2 4.17Å; V219-V245 HydrophobicContact CG2-CG2 3.73Å | ||
| 220 | D | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -94.8 | 178.8 | 178.9 | 66.3 | 89.2 | 0 | 0 | 0 | 112.8 | W207 R208 L209 Q222 F223 | W207-D220 WeakPolarHBondContact O-CB 3.42Å; R208-D220 WeakPolarHBondContact CA-OD2 3.23Å; L209-D220 PolarHBondContact N-OD2 3.39Å; D220-Q222 PolarHBondContact O-N 2.69Å; D220-Q222 WeakPolarHBondContact OD1-CA 3.49Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.45Å; D220-Q222 PolarHBondContact OD1-N 2.89Å; D220-F223 WeakPolarHBondContact O-CB 3.26Å; D220-F223 PolarHBondContact O-N 3.45Å; D220-F223 VanDerWaalsContact O-N 3.07Å |
| 221 | K | 97.9 | Very high | 97.2 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 8% | 0.083 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -15.9 | -179.9 | 177 | 167.7 | 134.6 | 177.4 | 0 | 114.4 | I32 T33 S204 D205 F223 Y224 R225 F242 | I32-K221 HydrophobicContact CD1-CD 4.41Å; I32-K221 HydrophobicContact CD1-CG 4.35Å; I32-K221 HydrophobicContact CG1-CD 4.39Å; T33-K221 WeakPolarHBondContact O-CE 3.36Å; T33-K221 PolarHBondContact O-NZ 3.19Å; S204-K221 WeakPolarHBondContact O-CB 3.4Å; S204-K221 PolarHBondContact O-N 2.95Å; D205-K221 HydrophobicContact CB-CB 4.49Å; D205-K221 HydrophobicContact CB-CD 3.69Å; D205-K221 VanDerWaalsContact CG-CD 3.44Å; D205-K221 WeakPolarHBondContact OD1-CD 3.28Å; K221-F223 PolarHBondContact O-N 3.01Å; K221-Y224 WeakPolarHBondContact O-CB 3.34Å; K221-Y224 PolarHBondContact O-N 3.43Å; K221-R225 PolarHBondContact O-N 2.94Å; K221-R225 VanDerWaalsContact O-N 3.13Å; K221-F242 HydrophobicContact CB-CZ 4.39Å |
| 222 | Q | 97.6 | Very high | 97.1 | Very high | 29 Ų | 29 | 59 Ų | 59 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.8 | -32.8 | 171.9 | -167.7 | 64.2 | 51.1 | 0 | 0 | 111.9 | D220 Y224 R225 D226 | D220-Q222 PolarHBondContact O-N 2.69Å; D220-Q222 WeakPolarHBondContact OD1-CA 3.49Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.45Å; D220-Q222 PolarHBondContact OD1-N 2.89Å; Q222-Y224 VanDerWaalsContact C-N 3.32Å; Q222-Y224 PolarHBondContact O-N 3.3Å; Q222-R225 WeakPolarHBondContact O-CB 3.21Å; Q222-R225 PolarHBondContact O-N 2.76Å; Q222-D226 PolarHBondContact NE2-OD1 3.17Å; Q222-D226 VanDerWaalsContact O-CG 3.23Å; Q222-D226 PolarHBondContact O-N 2.85Å |
| 223 | F | 97.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52.2 | -50.9 | 171.1 | 175.7 | -96.2 | 0 | 0 | 0 | 111.7 | Q218 D220 K221 R225 D226 L227 T237 L238 K241 | Q218-F223 HydrophobicContact CG-CB 4.41Å; D220-F223 WeakPolarHBondContact O-CB 3.26Å; D220-F223 PolarHBondContact O-N 3.45Å; D220-F223 VanDerWaalsContact O-N 3.07Å; K221-F223 PolarHBondContact O-N 3.01Å; F223-R225 VanDerWaalsContact C-N 3.32Å; F223-R225 PolarHBondContact O-N 3.5Å; F223-D226 PolarHBondContact O-N 3.47Å; F223-L227 HydrophobicContact CD1-CD1 4.45Å; F223-L227 HydrophobicContact CE1-CD1 4.08Å; F223-L227 HydrophobicContact CZ-CD2 4.31Å; F223-L227 WeakPolarHBondContact O-CG 3.36Å; F223-L227 PolarHBondContact O-N 3.02Å; F223-T237 HydrophobicContact CE1-CG2 4.25Å; F223-T237 HydrophobicContact CE2-CG2 4.46Å; F223-T237 HydrophobicContact CZ-CG2 3.84Å; F223-L238 HydrophobicContact CD1-CB 4.27Å; F223-L238 HydrophobicContact CD1-CD1 4.04Å; F223-L238 HydrophobicContact CE1-CB 4.39Å; F223-K241 HydrophobicContact CB-CD 4.32Å; F223-K241 HydrophobicContact CD1-CD 4.26Å; F223-K241 HydrophobicContact CD2-CD 4.22Å; F223-K241 HydrophobicContact CG-CD 3.99Å |
| 224 | Y | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 178.2 | 176.3 | -106.9 | 0 | 0 | 0 | 113.5 | I32 A34 R39 H41 K221 Q222 V230 L235 L238 | I32-Y224 HydrophobicContact CD1-CD1 3.81Å; I32-Y224 HydrophobicContact CD1-CD2 4.25Å; I32-Y224 HydrophobicContact CD1-CE1 4.26Å; I32-Y224 HydrophobicContact CD1-CG 3.77Å; I32-Y224 HydrophobicContact CG1-CD1 4.01Å; I32-Y224 HydrophobicContact CG1-CE1 4.03Å; I32-Y224 HydrophobicContact CG1-CG 4.43Å; I32-Y224 HydrophobicContact CG2-CE1 4.2Å; I32-Y224 HydrophobicContact CG2-CE2 3.96Å; A34-Y224 HydrophobicContact CB-CD1 3.93Å; A34-Y224 HydrophobicContact CB-CE1 3.73Å; R39-Y224 HydrophobicContact CG-CE1 3.97Å; R39-Y224 WeakPolarHBondContact CG-OH 3.35Å; R39-Y224 PolarHBondContact NH1-O 2.87Å; H41-Y224 AromaticContact ND1-CZ 3.83Å; H41-Y224 PolarHBondContact ND1-OH 2.67Å; K221-Y224 WeakPolarHBondContact O-CB 3.34Å; K221-Y224 PolarHBondContact O-N 3.43Å; Q222-Y224 VanDerWaalsContact C-N 3.32Å; Q222-Y224 PolarHBondContact O-N 3.3Å; Y224-V230 HydrophobicContact CD2-CG2 4.3Å; Y224-V230 HydrophobicContact CE2-CG1 4.02Å; Y224-V230 HydrophobicContact CE2-CG2 3.8Å; Y224-L235 HydrophobicContact CD2-CD2 4.31Å; Y224-L235 HydrophobicContact CE2-CD2 4.05Å; Y224-L238 HydrophobicContact CD2-CD2 4.18Å; Y224-L238 HydrophobicContact CG-CD2 4.24Å |
| 225 | R | 96.6 | Very high | 97.1 | Very high | 62 Ų | 62 | 60.3 Ų | 60.3 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.2 | -35.6 | 177.7 | -66.7 | -177.8 | -179.5 | 119.8 | -4.1 | 111.8 | A34 F35 R39 K221 Q222 F223 | A34-R225 HydrophobicContact CB-CG 4.01Å; F35-R225 HydrophobicContact CZ-CB 3.98Å; F35-R225 HydrophobicContact CZ-CG 4.38Å; R39-R225 PolarHBondContact NH1-O 3.12Å; K221-R225 PolarHBondContact O-N 2.94Å; K221-R225 VanDerWaalsContact O-N 3.13Å; Q222-R225 WeakPolarHBondContact O-CB 3.21Å; Q222-R225 PolarHBondContact O-N 2.76Å; F223-R225 VanDerWaalsContact C-N 3.32Å; F223-R225 PolarHBondContact O-N 3.5Å |
| 226 | D | 96.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.6 | -17.6 | -174.1 | -66.1 | -17.8 | 0 | 0 | 0 | 113.3 | Q218 Q222 F223 | Q218-D226 PolarHBondContact NE2-OD2 3.41Å; Q222-D226 PolarHBondContact NE2-OD1 3.17Å; Q222-D226 VanDerWaalsContact O-CG 3.23Å; Q222-D226 PolarHBondContact O-N 2.85Å; F223-D226 PolarHBondContact O-N 3.47Å |
| 227 | L | 96.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | trans | -60.9 | 127.3 | 177.5 | -68.7 | 167.4 | 0 | 0 | 0 | 111 | R39 F223 V230 D234 | R39-L227 VanDerWaalsContact CZ-O 3.26Å; R39-L227 PolarHBondContact NH1-O 3.24Å; R39-L227 PolarHBondContact NH2-O 3.17Å; F223-L227 HydrophobicContact CD1-CD1 4.45Å; F223-L227 HydrophobicContact CE1-CD1 4.08Å; F223-L227 HydrophobicContact CZ-CD2 4.31Å; F223-L227 WeakPolarHBondContact O-CG 3.36Å; F223-L227 PolarHBondContact O-N 3.02Å; L227-V230 HydrophobicContact CB-CG2 4.36Å; L227-V230 HydrophobicContact CD1-CG2 4.35Å; L227-D234 HydrophobicContact CD1-CB 3.55Å; L227-D234 HydrophobicContact CD2-CB 4.26Å | ||
| 228 | P | 95.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 53 Ų | 53 | 77% | 0.766 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -68.2 | -45 | 176.1 | 25.3 | -31.4 | 0 | 0 | 0 | 111.1 | ||
| 229 | I | 95.1 | Very high | 97.1 | Very high | 132 Ų | 132 | 54.2 Ų | 54.2 | 68% | 0.677 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -131.8 | 137.8 | 174.3 | -60 | 174.4 | 0 | 0 | 0 | 106.3 | ||
| 230 | V | 96.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | trans | -93.4 | 123.7 | -179.2 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | Y224 L227 L235 | Y224-V230 HydrophobicContact CD2-CG2 4.3Å; Y224-V230 HydrophobicContact CE2-CG1 4.02Å; Y224-V230 HydrophobicContact CE2-CG2 3.8Å; L227-V230 HydrophobicContact CB-CG2 4.36Å; L227-V230 HydrophobicContact CD1-CG2 4.35Å; V230-L235 HydrophobicContact CG1-CD1 4.3Å; V230-L235 HydrophobicContact CG1-CD2 3.62Å; V230-L235 HydrophobicContact CG1-CG 3.77Å | ||
| 231 | T | 96.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 62.3 Ų | 62.3 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | trans | -106.1 | 166.1 | 171.9 | 70.6 | 0 | 0 | 0 | 0 | 111.5 | E233 D234 L235 | T231-E233 VanDerWaalsContact C-N 3.25Å; T231-E233 PolarHBondContact O-N 3.49Å; T231-E233 PolarHBondContact OG1-N 2.96Å; T231-D234 WeakPolarHBondContact CB-OD2 3.4Å; T231-D234 PolarHBondContact N-OD2 3.47Å; T231-D234 WeakPolarHBondContact O-CB 3.27Å; T231-D234 PolarHBondContact O-N 2.86Å; T231-D234 PolarHBondContact OG1-N 2.82Å; T231-D234 PolarHBondContact OG1-OD2 3.4Å; T231-L235 WeakPolarHBondContact O-CG 3.22Å; T231-L235 PolarHBondContact O-N 2.84Å; T231-L235 VanDerWaalsContact O-N 3.13Å | ||
| 232 | E | 96 | Very high | 97.2 | Very high | 174 Ų | 174 | 61.5 Ų | 61.5 | 81% | 0.813 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | 173.4 | -67.7 | -177 | 173.6 | 0 | 0 | 112.3 | D234 L235 S236 | E232-D234 VanDerWaalsContact C-N 3.34Å; E232-L235 PolarHBondContact O-N 2.88Å; E232-S236 PolarHBondContact O-N 3.42Å |
| 233 | E | 97.2 | Very high | 97.2 | Very high | 152 Ų | 152 | 62.4 Ų | 62.4 | 71% | 0.71 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 175.8 | -174.9 | 175.3 | -176 | 0 | 0 | 111.6 | T231 S236 T237 | T231-E233 VanDerWaalsContact C-N 3.25Å; T231-E233 PolarHBondContact O-N 3.49Å; T231-E233 PolarHBondContact OG1-N 2.96Å; E233-S236 PolarHBondContact O-N 2.99Å; E233-T237 WeakPolarHBondContact O-CB 3.4Å; E233-T237 PolarHBondContact O-N 3.39Å; E233-T237 PolarHBondContact O-OG1 3.15Å |
| 234 | D | 97.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 64.5 Ų | 64.5 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.1 | -62.3 | -52.7 | 0 | 0 | 0 | 111.7 | L227 T231 E232 T237 L238 | L227-D234 HydrophobicContact CD1-CB 3.55Å; L227-D234 HydrophobicContact CD2-CB 4.26Å; T231-D234 WeakPolarHBondContact CB-OD2 3.4Å; T231-D234 PolarHBondContact N-OD2 3.47Å; T231-D234 WeakPolarHBondContact O-CB 3.27Å; T231-D234 PolarHBondContact O-N 2.86Å; T231-D234 PolarHBondContact OG1-N 2.82Å; T231-D234 PolarHBondContact OG1-OD2 3.4Å; E232-D234 VanDerWaalsContact C-N 3.34Å; D234-T237 WeakPolarHBondContact O-CB 3.48Å; D234-T237 PolarHBondContact O-N 3.49Å; D234-L238 WeakPolarHBondContact O-CB 2.97Å; D234-L238 PolarHBondContact O-N 3.41Å |
| 235 | L | 97.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 175.9 | -67.4 | -178.1 | 0 | 0 | 0 | 111.5 | H41 L43 Y224 V230 T231 E232 T237 L238 I239 | H41-L235 HydrophobicContact CB-CD1 4.2Å; H41-L235 HydrophobicContact CB-CD2 4.35Å; L43-L235 HydrophobicContact CD1-CB 3.75Å; L43-L235 HydrophobicContact CD1-CD2 4.09Å; L43-L235 HydrophobicContact CD1-CG 4.34Å; Y224-L235 HydrophobicContact CD2-CD2 4.31Å; Y224-L235 HydrophobicContact CE2-CD2 4.05Å; V230-L235 HydrophobicContact CG1-CD1 4.3Å; V230-L235 HydrophobicContact CG1-CD2 3.62Å; V230-L235 HydrophobicContact CG1-CG 3.77Å; T231-L235 WeakPolarHBondContact O-CG 3.22Å; T231-L235 PolarHBondContact O-N 2.84Å; T231-L235 VanDerWaalsContact O-N 3.13Å; E232-L235 PolarHBondContact O-N 2.88Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-T237 PolarHBondContact O-N 2.9Å; L235-L238 WeakPolarHBondContact O-CB 3.4Å; L235-L238 PolarHBondContact O-N 2.92Å; L235-I239 PolarHBondContact O-N 2.95Å |
| 236 | S | 97.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 172.9 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | E232 E233 L238 I239 K240 | E232-S236 PolarHBondContact O-N 3.42Å; E233-S236 PolarHBondContact O-N 2.99Å; S236-L238 VanDerWaalsContact C-N 3.33Å; S236-L238 PolarHBondContact O-N 2.98Å; S236-I239 PolarHBondContact O-N 2.79Å; S236-K240 WeakPolarHBondContact O-CG 3.44Å; S236-K240 PolarHBondContact O-N 3.31Å |
| 237 | T | 97.9 | Very high | 97.4 | Very high | 45 Ų | 45 | 61.8 Ų | 61.8 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 176 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | F223 E233 D234 L235 K240 K241 | F223-T237 HydrophobicContact CE1-CG2 4.25Å; F223-T237 HydrophobicContact CE2-CG2 4.46Å; F223-T237 HydrophobicContact CZ-CG2 3.84Å; E233-T237 WeakPolarHBondContact O-CB 3.4Å; E233-T237 PolarHBondContact O-N 3.39Å; E233-T237 PolarHBondContact O-OG1 3.15Å; D234-T237 WeakPolarHBondContact O-CB 3.48Å; D234-T237 PolarHBondContact O-N 3.49Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-T237 PolarHBondContact O-N 2.9Å; T237-K240 WeakPolarHBondContact O-CB 3.43Å; T237-K240 PolarHBondContact O-N 2.92Å; T237-K241 HydrophobicContact CG2-CD 4.45Å; T237-K241 WeakPolarHBondContact O-CG 3.48Å; T237-K241 PolarHBondContact O-N 3.19Å |
| 238 | L | 97.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.1 | -177 | 62.9 | 0 | 0 | 0 | 112.2 | I32 L43 F223 Y224 D234 L235 S236 K240 K241 F242 | I32-L238 HydrophobicContact CD1-CD2 3.35Å; L43-L238 HydrophobicContact CD2-CD2 3.89Å; L43-L238 HydrophobicContact CD2-CG 4.45Å; F223-L238 HydrophobicContact CD1-CB 4.27Å; F223-L238 HydrophobicContact CD1-CD1 4.04Å; F223-L238 HydrophobicContact CE1-CB 4.39Å; Y224-L238 HydrophobicContact CD2-CD2 4.18Å; Y224-L238 HydrophobicContact CG-CD2 4.24Å; D234-L238 WeakPolarHBondContact O-CB 2.97Å; D234-L238 PolarHBondContact O-N 3.41Å; L235-L238 WeakPolarHBondContact O-CB 3.4Å; L235-L238 PolarHBondContact O-N 2.92Å; S236-L238 VanDerWaalsContact C-N 3.33Å; S236-L238 PolarHBondContact O-N 2.98Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.4Å; L238-K241 WeakPolarHBondContact O-CB 3.42Å; L238-K241 PolarHBondContact O-N 3.43Å; L238-F242 HydrophobicContact CD1-CD1 3.97Å; L238-F242 HydrophobicContact CD1-CE1 3.45Å; L238-F242 VanDerWaalsContact CD1-CE1 3.45Å; L238-F242 HydrophobicContact CD1-CZ 3.88Å; L238-F242 HydrophobicContact CG-CD1 4.47Å; L238-F242 HydrophobicContact CG-CE1 4.16Å; L238-F242 HydrophobicContact CG-CZ 4.26Å; L238-F242 PolarHBondContact O-N 2.96Å |
| 239 | I | 98.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.2 | -74.9 | -64.5 | 0 | 0 | 0 | 111.2 | L43 E44 K46 L49 L235 S236 K241 F242 S243 | L43-I239 HydrophobicContact CD1-CD1 4.08Å; L43-I239 HydrophobicContact CD1-CG1 3.73Å; L43-I239 HydrophobicContact CD2-CD1 4.12Å; L43-I239 HydrophobicContact CD2-CG1 4.46Å; L43-I239 HydrophobicContact CG-CD1 3.79Å; L43-I239 HydrophobicContact CG-CG1 4.03Å; E44-I239 WeakPolarHBondContact O-CD1 3.26Å; K46-I239 HydrophobicContact CB-CD1 4.42Å; L49-I239 HydrophobicContact CD1-CD1 3.81Å; L49-I239 HydrophobicContact CD1-CG2 4.2Å; L235-I239 PolarHBondContact O-N 2.95Å; S236-I239 PolarHBondContact O-N 2.79Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 2.69Å; I239-F242 PolarHBondContact O-N 2.82Å; I239-S243 WeakPolarHBondContact O-CB 3.47Å; I239-S243 PolarHBondContact O-N 3.38Å |
| 240 | K | 98.4 | Very high | 97.7 | Very high | 138 Ų | 138 | 55.9 Ų | 55.9 | 60% | 0.6 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.5 | -42.2 | 175.5 | -68.3 | 171.1 | -173.4 | 169.5 | 0 | 111.8 | S236 T237 L238 S243 W244 | S236-K240 WeakPolarHBondContact O-CG 3.44Å; S236-K240 PolarHBondContact O-N 3.31Å; T237-K240 WeakPolarHBondContact O-CB 3.43Å; T237-K240 PolarHBondContact O-N 2.92Å; L238-K240 VanDerWaalsContact C-N 3.32Å; L238-K240 PolarHBondContact O-N 3.4Å; K240-S243 PolarHBondContact O-N 2.77Å; K240-W244 PolarHBondContact O-N 2.84Å |
| 241 | K | 98.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 59 Ų | 59 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.4 | -72.8 | 171.9 | 177.3 | -71.2 | 0 | 111.7 | Q218 V219 F223 T237 L238 I239 W244 V245 | Q218-K241 PolarHBondContact O-NZ 3.29Å; V219-K241 HydrophobicContact CB-CB 4.19Å; V219-K241 HydrophobicContact CB-CG 4.49Å; V219-K241 HydrophobicContact CG1-CB 4.49Å; V219-K241 HydrophobicContact CG1-CG 4.37Å; F223-K241 HydrophobicContact CB-CD 4.32Å; F223-K241 HydrophobicContact CD1-CD 4.26Å; F223-K241 HydrophobicContact CD2-CD 4.22Å; F223-K241 HydrophobicContact CG-CD 3.99Å; T237-K241 HydrophobicContact CG2-CD 4.45Å; T237-K241 WeakPolarHBondContact O-CG 3.48Å; T237-K241 PolarHBondContact O-N 3.19Å; L238-K241 WeakPolarHBondContact O-CB 3.42Å; L238-K241 PolarHBondContact O-N 3.43Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 2.69Å; K241-W244 WeakPolarHBondContact O-CB 3.41Å; K241-W244 PolarHBondContact O-N 2.92Å; K241-V245 WeakPolarHBondContact O-CG2 3.48Å; K241-V245 PolarHBondContact O-N 3.01Å; K241-V245 VanDerWaalsContact O-N 3.12Å |
| 242 | F | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68 | -37 | 178.5 | -76.5 | 15.2 | 0 | 0 | 0 | 112.2 | K46 L49 S204 K221 L238 I239 W244 V245 V246 | K46-F242 HydrophobicContact CG-CD2 4.37Å; K46-F242 HydrophobicContact CG-CE2 4.24Å; L49-F242 HydrophobicContact CB-CB 4.28Å; L49-F242 HydrophobicContact CD1-CB 3.69Å; S204-F242 VanDerWaalsContact CB-CD1 3.46Å; K221-F242 HydrophobicContact CB-CZ 4.39Å; L238-F242 HydrophobicContact CD1-CD1 3.97Å; L238-F242 HydrophobicContact CD1-CE1 3.45Å; L238-F242 VanDerWaalsContact CD1-CE1 3.45Å; L238-F242 HydrophobicContact CD1-CZ 3.88Å; L238-F242 HydrophobicContact CG-CD1 4.47Å; L238-F242 HydrophobicContact CG-CE1 4.16Å; L238-F242 HydrophobicContact CG-CZ 4.26Å; L238-F242 PolarHBondContact O-N 2.96Å; I239-F242 PolarHBondContact O-N 2.82Å; F242-W244 VanDerWaalsContact C-N 3.33Å; F242-V245 WeakPolarHBondContact O-CB 3.41Å; F242-V245 PolarHBondContact O-N 2.73Å; F242-V246 PolarHBondContact O-N 2.96Å |
| 243 | S | 98.4 | Very high | 97.1 | Very high | 49 Ų | 49 | 51.3 Ų | 51.3 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 172.4 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | I239 K240 V245 V246 E247 | I239-S243 WeakPolarHBondContact O-CB 3.47Å; I239-S243 PolarHBondContact O-N 3.38Å; K240-S243 PolarHBondContact O-N 2.77Å; S243-V245 VanDerWaalsContact C-N 3.33Å; S243-V245 PolarHBondContact O-N 3.23Å; S243-V246 PolarHBondContact O-N 3.23Å; S243-E247 PolarHBondContact O-N 3.4Å; S243-E247 VanDerWaalsContact O-N 3.11Å |
| 244 | W | 98.5 | Very high | 96.1 | Very high | 84 Ų | 84 | 46 Ų | 46 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -42 | 175.4 | 178.7 | 91.8 | 0 | 0 | 0 | 111.9 | W173 C178 P211 V219 K240 K241 F242 V246 E247 Q248 | W173-W244 HydrophobicContact CZ3-CZ3 4.36Å; C178-W244 HydrophobicContact CB-CH2 4.39Å; P211-W244 HydrophobicContact CB-CH2 4.38Å; P211-W244 HydrophobicContact CG-CH2 3.95Å; P211-W244 HydrophobicContact CG-CZ2 4.43Å; P211-W244 HydrophobicContact CG-CZ3 4.29Å; V219-W244 HydrophobicContact CB-CE3 4.19Å; V219-W244 HydrophobicContact CB-CZ3 4.42Å; V219-W244 HydrophobicContact CG1-CE3 3.93Å; V219-W244 HydrophobicContact CG1-CZ3 4.19Å; V219-W244 HydrophobicContact CG2-CE3 3.95Å; V219-W244 HydrophobicContact CG2-CZ3 3.75Å; K240-W244 PolarHBondContact O-N 2.84Å; K241-W244 WeakPolarHBondContact O-CB 3.41Å; K241-W244 PolarHBondContact O-N 2.92Å; F242-W244 VanDerWaalsContact C-N 3.33Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.05Å; W244-E247 PolarHBondContact O-N 2.85Å; W244-Q248 HydrophobicContact CD2-CG 3.82Å; W244-Q248 HydrophobicContact CE3-CG 3.85Å; W244-Q248 HydrophobicContact CH2-CG 3.52Å; W244-Q248 HydrophobicContact CZ2-CG 3.48Å; W244-Q248 VanDerWaalsContact CZ2-CG 3.48Å; W244-Q248 HydrophobicContact CZ3-CG 3.68Å; W244-Q248 WeakPolarHBondContact O-CG 3.45Å; W244-Q248 PolarHBondContact O-N 3.01Å |
| 245 | V | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.3 | -45.5 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 111 | T53 W173 W207 L209 V219 K241 F242 S243 E247 Q248 L249 | T53-V245 HydrophobicContact CG2-CG1 4.2Å; W173-V245 HydrophobicContact CH2-CB 4.4Å; W173-V245 HydrophobicContact CH2-CG1 3.76Å; W173-V245 HydrophobicContact CZ2-CG1 3.99Å; W207-V245 HydrophobicContact CZ2-CG1 3.9Å; L209-V245 HydrophobicContact CD1-CG1 4.36Å; L209-V245 HydrophobicContact CD1-CG2 4.1Å; V219-V245 HydrophobicContact CB-CG2 4.17Å; V219-V245 HydrophobicContact CG2-CG2 3.73Å; K241-V245 WeakPolarHBondContact O-CG2 3.48Å; K241-V245 PolarHBondContact O-N 3.01Å; K241-V245 VanDerWaalsContact O-N 3.12Å; F242-V245 WeakPolarHBondContact O-CB 3.41Å; F242-V245 PolarHBondContact O-N 2.73Å; S243-V245 VanDerWaalsContact C-N 3.33Å; S243-V245 PolarHBondContact O-N 3.23Å; V245-E247 PolarHBondContact O-N 2.92Å; V245-Q248 PolarHBondContact O-N 2.9Å; V245-L249 HydrophobicContact CG1-CD1 4.2Å; V245-L249 WeakPolarHBondContact O-CG 3.49Å; V245-L249 PolarHBondContact O-N 3.06Å |
| 246 | V | 98.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 177 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | L49 V52 T53 L56 F242 S243 W244 Q248 L249 K250 | L49-V246 HydrophobicContact CD2-CG2 3.99Å; V52-V246 HydrophobicContact CG1-CG1 3.64Å; V52-V246 HydrophobicContact CG1-CG2 4.29Å; T53-V246 VanDerWaalsContact OG1-CG2 3.3Å; T53-V246 WeakPolarHBondContact OG1-CG2 3.36Å; L56-V246 HydrophobicContact CD1-CG1 4.21Å; F242-V246 PolarHBondContact O-N 2.96Å; S243-V246 PolarHBondContact O-N 3.23Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.05Å; V246-Q248 VanDerWaalsContact C-N 3.33Å; V246-Q248 PolarHBondContact O-N 3.18Å; V246-L249 PolarHBondContact O-N 3.4Å; V246-K250 PolarHBondContact O-N 2.72Å |
| 247 | E | 97.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 177.8 | -66 | -48.1 | 130.3 | 0 | 0 | 112.5 | S243 W244 V245 K250 N251 | S243-E247 PolarHBondContact O-N 3.4Å; S243-E247 VanDerWaalsContact O-N 3.11Å; W244-E247 PolarHBondContact O-N 2.85Å; V245-E247 PolarHBondContact O-N 2.92Å; E247-K250 IonicContact OE1-NZ 2.95Å; E247-K250 PolarHBondContact OE1-NZ 3.49Å; E247-K250 IonicContact OE2-NZ 2.75Å; E247-K250 PolarHBondContact OE2-NZ 2.9Å; E247-N251 PolarHBondContact O-ND2 2.75Å |
| 248 | Q | 97.9 | Very high | 93.2 | Very high | 36 Ų | 36 | 55.9 Ų | 55.9 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 175.6 | -62.6 | -34.5 | -59.1 | 0 | 0 | 112.6 | W173 V176 W244 V245 V246 K250 N251 | W173-Q248 HydrophobicContact CH2-CB 4.01Å; W173-Q248 HydrophobicContact CZ3-CB 3.51Å; W173-Q248 HydrophobicContact CZ3-CG 4.16Å; V176-Q248 HydrophobicContact CG2-CB 4.26Å; W244-Q248 HydrophobicContact CD2-CG 3.82Å; W244-Q248 HydrophobicContact CE3-CG 3.85Å; W244-Q248 HydrophobicContact CH2-CG 3.52Å; W244-Q248 HydrophobicContact CZ2-CG 3.48Å; W244-Q248 VanDerWaalsContact CZ2-CG 3.48Å; W244-Q248 HydrophobicContact CZ3-CG 3.68Å; W244-Q248 WeakPolarHBondContact O-CG 3.45Å; W244-Q248 PolarHBondContact O-N 3.01Å; V245-Q248 PolarHBondContact O-N 2.9Å; V246-Q248 VanDerWaalsContact C-N 3.33Å; V246-Q248 PolarHBondContact O-N 3.18Å; Q248-K250 PolarHBondContact O-N 3.32Å; Q248-N251 WeakPolarHBondContact O-CB 3.39Å; Q248-N251 PolarHBondContact O-N 2.84Å |
| 249 | L | 97.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -31.7 | 179.4 | -78.9 | 171.2 | 0 | 0 | 0 | 113 | T53 L56 V57 W173 W207 V245 V246 N251 F252 | T53-L249 HydrophobicContact CG2-CD1 3.57Å; L56-L249 HydrophobicContact CB-CB 4.18Å; L56-L249 HydrophobicContact CB-CD1 4.33Å; L56-L249 HydrophobicContact CD1-CB 3.84Å; V57-L249 HydrophobicContact CG2-CD1 4.06Å; V57-L249 HydrophobicContact CG2-CD2 3.9Å; W173-L249 HydrophobicContact CH2-CD2 4.22Å; W173-L249 HydrophobicContact CH2-CG 3.98Å; W173-L249 HydrophobicContact CZ2-CD2 3.74Å; W173-L249 HydrophobicContact CZ2-CG 3.92Å; W207-L249 HydrophobicContact CH2-CD1 4.44Å; W207-L249 HydrophobicContact CH2-CD2 4.34Å; V245-L249 HydrophobicContact CG1-CD1 4.2Å; V245-L249 WeakPolarHBondContact O-CG 3.49Å; V245-L249 PolarHBondContact O-N 3.06Å; V246-L249 PolarHBondContact O-N 3.4Å; L249-N251 PolarHBondContact O-N 3.45Å; L249-N251 VanDerWaalsContact O-N 3.15Å; L249-F252 HydrophobicContact CD2-CD1 4.43Å; L249-F252 HydrophobicContact CD2-CD2 3.77Å; L249-F252 HydrophobicContact CD2-CE1 4.11Å; L249-F252 HydrophobicContact CD2-CE2 3.4Å; L249-F252 VanDerWaalsContact CD2-CE2 3.4Å; L249-F252 HydrophobicContact CD2-CG 4.3Å; L249-F252 HydrophobicContact CD2-CZ 3.61Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 2.95Å; L249-F252 VanDerWaalsContact O-N 3.13Å |
| 250 | K | 95.8 | Very high | 93.1 | Very high | 105 Ų | 105 | 54.9 Ų | 54.9 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.7 | 175.2 | -65.8 | 173.2 | -170.4 | 167.8 | 0 | 113 | L56 V246 E247 Q248 | L56-K250 HydrophobicContact CD1-CG 4.25Å; V246-K250 PolarHBondContact O-N 2.72Å; E247-K250 IonicContact OE1-NZ 2.95Å; E247-K250 PolarHBondContact OE1-NZ 3.49Å; E247-K250 IonicContact OE2-NZ 2.75Å; E247-K250 PolarHBondContact OE2-NZ 2.9Å; Q248-K250 PolarHBondContact O-N 3.32Å |
| 251 | N | 95.2 | Very high | 93.2 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 1 | -179.9 | -58.6 | -49.7 | 0 | 0 | 0 | 113.5 | V176 E247 Q248 L249 T253 | V176-N251 HydrophobicContact CG1-CB 3.94Å; E247-N251 PolarHBondContact O-ND2 2.75Å; Q248-N251 WeakPolarHBondContact O-CB 3.39Å; Q248-N251 PolarHBondContact O-N 2.84Å; L249-N251 PolarHBondContact O-N 3.45Å; L249-N251 VanDerWaalsContact O-N 3.15Å; N251-T253 PolarHBondContact O-N 3.08Å |
| 252 | F | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -67.4 | -22.7 | -179 | -84 | 20.7 | 0 | 0 | 0 | 113.8 | Y60 L169 A172 W173 V176 L249 P254 H388 | Y60-F252 AromaticContact CD1-CD2 3.92Å; Y60-F252 HydrophobicContact CD1-CD2 3.92Å; Y60-F252 HydrophobicContact CD2-CB 3.86Å; Y60-F252 HydrophobicContact CD2-CD2 4.35Å; Y60-F252 HydrophobicContact CE1-CD2 4.07Å; Y60-F252 HydrophobicContact CE2-CB 3.93Å; Y60-F252 HydrophobicContact CE2-CD2 4.49Å; Y60-F252 WeakPolarHBondContact CE2-O 3.28Å; Y60-F252 HydrophobicContact CG-CB 4.35Å; Y60-F252 HydrophobicContact CG-CD2 4.07Å; L169-F252 HydrophobicContact CD2-CE2 4.25Å; A172-F252 HydrophobicContact CB-CD1 4.19Å; A172-F252 HydrophobicContact CB-CD2 3.53Å; A172-F252 HydrophobicContact CB-CE1 4.07Å; A172-F252 HydrophobicContact CB-CE2 3.38Å; A172-F252 HydrophobicContact CB-CG 3.92Å; A172-F252 HydrophobicContact CB-CZ 3.65Å; A172-F252 WeakPolarHBondContact O-CE1 3.49Å; W173-F252 HydrophobicContact CB-CZ 4.49Å; W173-F252 AromaticContact CD1-CZ 3.89Å; W173-F252 HydrophobicContact CD2-CE1 4.03Å; W173-F252 AromaticContact CD2-CZ 3.55Å; W173-F252 HydrophobicContact CD2-CZ 3.55Å; W173-F252 AromaticContact CE2-CZ 3.57Å; W173-F252 HydrophobicContact CE3-CE1 4.03Å; W173-F252 HydrophobicContact CE3-CZ 4.04Å; W173-F252 HydrophobicContact CG-CE1 4.44Å; W173-F252 AromaticContact CG-CZ 3.76Å; W173-F252 HydrophobicContact CG-CZ 3.76Å; W173-F252 HydrophobicContact CH2-CZ 4.46Å; W173-F252 HydrophobicContact CZ2-CZ 4.03Å; W173-F252 HydrophobicContact CZ3-CE1 4.35Å; W173-F252 HydrophobicContact CZ3-CZ 4.49Å; W173-F252 AromaticContact NE1-CZ 3.79Å; V176-F252 HydrophobicContact CG2-CE1 4.11Å; L249-F252 HydrophobicContact CD2-CD1 4.43Å; L249-F252 HydrophobicContact CD2-CD2 3.77Å; L249-F252 HydrophobicContact CD2-CE1 4.11Å; L249-F252 HydrophobicContact CD2-CE2 3.4Å; L249-F252 VanDerWaalsContact CD2-CE2 3.4Å; L249-F252 HydrophobicContact CD2-CG 4.3Å; L249-F252 HydrophobicContact CD2-CZ 3.61Å; L249-F252 WeakPolarHBondContact O-CB 3.43Å; L249-F252 PolarHBondContact O-N 2.95Å; L249-F252 VanDerWaalsContact O-N 3.13Å; F252-P254 VanDerWaalsContact C-CD 3.4Å; F252-P254 WeakPolarHBondContact O-CD 3.3Å; F252-H388 PolarHBondContact O-NE2 2.89Å |
| 253 | T | 86.5 | Confident | 93.2 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -115 | 73.3 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 110 | Y60 N251 Y389 | Y60-T253 HydrophobicContact CD2-CG2 3.72Å; Y60-T253 HydrophobicContact CE2-CG2 4.11Å; N251-T253 PolarHBondContact O-N 3.08Å; T253-Y389 HydrophobicContact CG2-CD2 4.19Å; T253-Y389 HydrophobicContact CG2-CE2 3.89Å |
| 254 | P | 76.6 | Confident | 93.1 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -64.7 | 154.1 | 176.2 | 29.6 | -34.6 | 0 | 0 | 0 | 110.2 | F252 | F252-P254 VanDerWaalsContact C-CD 3.4Å; F252-P254 WeakPolarHBondContact O-CD 3.3Å |
| 255 | P | 78.7 | Confident | 92.9 | Very high | 106 Ų | 106 | 41.2 Ų | 41.2 | 69% | 0.688 | 22% | 0.224 | S | C | * | . | P | Polyproline II helix | trans | -55.7 | 146 | 170.7 | 24.4 | -33 | 0 | 0 | 0 | 110 | R257 | P255-R257 WeakPolarHBondContact O-CG 3.41Å; P255-R257 PolarHBondContact O-N 3.1Å; P255-R257 VanDerWaalsContact O-N 3.07Å |
| 256 | A | 73.9 | Confident | 92.6 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 60% | 0.603 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -51.9 | 117.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 257 | R | 83 | Confident | 92.4 | Very high | 176 Ų | 176 | 48.8 Ų | 48.8 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | trans | -100.8 | 5.6 | -177.8 | -60.9 | -167.3 | 175.2 | 165.9 | -1.8 | 113.2 | P255 P314 | P255-R257 WeakPolarHBondContact O-CG 3.41Å; P255-R257 PolarHBondContact O-N 3.1Å; P255-R257 VanDerWaalsContact O-N 3.07Å; R257-P314 VanDerWaalsContact O-CD 3.27Å; R257-P314 WeakPolarHBondContact O-CD 3.3Å | ||
| 258 | S | 93.7 | Very high | 92 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | trans | -146 | 159.5 | -176.2 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | P314 | S258-P314 VanDerWaalsContact CA-O 3.29Å; S258-P314 WeakPolarHBondContact CA-O 3.34Å | ||
| 259 | R | 96.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 165.7 | 175.8 | 67.8 | 175.2 | 171 | -139.3 | -16.9 | 112.1 | V261 H286 Y308 D311 V313 P314 T315 V316 | R259-V261 HydrophobicContact CG-CG2 4.41Å; R259-H286 WeakPolarHBondContact CA-O 3.39Å; R259-H286 HydrophobicContact CB-CB 4.39Å; R259-Y308 VanDerWaalsContact NH2-CA 3.31Å; R259-Y308 PolarHBondContact NH2-O 3.37Å; R259-D311 IonicContact CZ-OD1 3.91Å; R259-D311 IonicContact CZ-OD2 2.92Å; R259-D311 VanDerWaalsContact CZ-OD2 3.24Å; R259-D311 IonicContact NH1-OD1 3.64Å; R259-D311 IonicContact NH1-OD2 2.76Å; R259-D311 PolarHBondContact NH1-OD2 3.36Å; R259-D311 IonicContact NH2-OD1 3.74Å; R259-D311 PolarHBondContact NH2-OD1 3.09Å; R259-D311 IonicContact NH2-OD2 3.73Å; R259-D311 PolarHBondContact NH2-OD2 3.13Å; R259-V313 HydrophobicContact CG-CG1 4.16Å; R259-P314 PolarHBondContact N-O 3.32Å; R259-T315 HydrophobicContact CG-CG2 4.06Å; R259-T315 WeakPolarHBondContact CG-OG1 3.45Å; R259-T315 PolarHBondContact NE-OG1 3.15Å; R259-T315 PolarHBondContact NH2-OG1 2.76Å; R259-T315 WeakPolarHBondContact O-CA 3.48Å; R259-V316 PolarHBondContact O-N 3.06Å; R259-V316 VanDerWaalsContact O-N 3.12Å |
| 260 | V | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.8 | 163.7 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | V262 L280 I285 H286 C287 D288 V316 I318 A379 L383 | V260-V262 HydrophobicContact CG1-CG2 4.38Å; V260-L280 HydrophobicContact CB-CD1 3.7Å; V260-L280 HydrophobicContact CB-CD2 4.48Å; V260-L280 HydrophobicContact CG1-CD1 3.65Å; V260-L280 HydrophobicContact CG2-CD1 4.01Å; V260-L280 HydrophobicContact CG2-CD2 3.86Å; V260-I285 HydrophobicContact CB-CG2 4.5Å; V260-I285 HydrophobicContact CG2-CG2 3.82Å; V260-H286 PolarHBondContact N-O 3.45Å; V260-C287 VanDerWaalsContact O-CA 3.25Å; V260-C287 WeakPolarHBondContact O-CA 3.4Å; V260-D288 PolarHBondContact O-N 3.32Å; V260-V316 CarbonylContact C-O 3.6Å; V260-V316 VanDerWaalsContact CA-O 3.28Å; V260-V316 WeakPolarHBondContact CA-O 3.32Å; V260-V316 HydrophobicContact CG2-CB 4.36Å; V260-I318 HydrophobicContact CG1-CD1 3.62Å; V260-I318 HydrophobicContact CG1-CG1 3.85Å; V260-A379 HydrophobicContact CG2-CB 3.78Å; V260-L383 HydrophobicContact CG2-CD1 4.03Å |
| 261 | V | 98.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.9 | 172 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | R259 F263 D288 R290 Y308 T315 V316 F317 I318 | R259-V261 HydrophobicContact CG-CG2 4.41Å; V261-F263 HydrophobicContact CB-CD2 4.49Å; V261-F263 HydrophobicContact CB-CE2 4.27Å; V261-F263 HydrophobicContact CG1-CD2 3.72Å; V261-F263 HydrophobicContact CG1-CE2 3.49Å; V261-F263 VanDerWaalsContact CG1-CE2 3.49Å; V261-D288 WeakPolarHBondContact CA-O 3.22Å; V261-D288 HydrophobicContact CG1-CB 4.31Å; V261-D288 HydrophobicContact CG2-CB 4.28Å; V261-R290 HydrophobicContact CG1-CG 3.98Å; V261-Y308 HydrophobicContact CB-CE2 4.29Å; V261-Y308 HydrophobicContact CG1-CD2 4Å; V261-Y308 HydrophobicContact CG1-CE2 3.44Å; V261-Y308 VanDerWaalsContact CG1-CE2 3.44Å; V261-Y308 HydrophobicContact CG2-CD1 3.93Å; V261-Y308 HydrophobicContact CG2-CD2 4.06Å; V261-Y308 HydrophobicContact CG2-CE1 3.76Å; V261-Y308 HydrophobicContact CG2-CE2 3.97Å; V261-Y308 HydrophobicContact CG2-CG 4.01Å; V261-T315 HydrophobicContact CB-CG2 4.4Å; V261-T315 HydrophobicContact CG2-CG2 3.74Å; V261-V316 PolarHBondContact N-O 3.27Å; V261-F317 HydrophobicContact CB-CD1 3.78Å; V261-F317 HydrophobicContact CB-CE1 3.93Å; V261-F317 HydrophobicContact CG1-CD1 4.38Å; V261-F317 HydrophobicContact CG1-CE1 4.46Å; V261-F317 HydrophobicContact CG2-CD1 4.42Å; V261-F317 HydrophobicContact CG2-CE1 4.11Å; V261-F317 WeakPolarHBondContact O-CA 3.33Å; V261-I318 PolarHBondContact O-N 2.78Å |
| 262 | V | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 111.8 | 176.4 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | V260 M264 I276 D288 L289 R290 I318 V320 | V260-V262 HydrophobicContact CG1-CG2 4.38Å; V262-M264 HydrophobicContact CG1-CG 4.18Å; V262-I276 HydrophobicContact CG1-CD1 4.22Å; V262-I276 HydrophobicContact CG2-CB 4.36Å; V262-I276 HydrophobicContact CG2-CG2 3.84Å; V262-D288 PolarHBondContact N-O 3.35Å; V262-L289 HydrophobicContact CB-CD2 3.65Å; V262-L289 HydrophobicContact CG1-CD2 4.39Å; V262-L289 HydrophobicContact CG2-CD2 3.87Å; V262-R290 PolarHBondContact O-N 3.42Å; V262-I318 CarbonylContact C-O 3.5Å; V262-I318 WeakPolarHBondContact CA-O 3.27Å; V262-I318 HydrophobicContact CG1-CB 4.45Å; V262-I318 HydrophobicContact CG2-CB 4.27Å; V262-V320 HydrophobicContact CG1-CG2 3.67Å |
| 263 | F | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.9 | 171 | -80.1 | -111.7 | 0 | 0 | 0 | 109.6 | V261 R290 A292 T301 I304 Y308 F317 I318 V320 L327 L331 | V261-F263 HydrophobicContact CB-CD2 4.49Å; V261-F263 HydrophobicContact CB-CE2 4.27Å; V261-F263 HydrophobicContact CG1-CD2 3.72Å; V261-F263 HydrophobicContact CG1-CE2 3.49Å; V261-F263 VanDerWaalsContact CG1-CE2 3.49Å; F263-R290 CarbonylContact C-O 3.58Å; F263-R290 WeakPolarHBondContact CA-O 3.41Å; F263-A292 HydrophobicContact CD1-CB 3.95Å; F263-A292 HydrophobicContact CE1-CB 4.27Å; F263-T301 HydrophobicContact CD1-CG2 4.34Å; F263-T301 HydrophobicContact CE1-CG2 4.26Å; F263-I304 HydrophobicContact CE1-CB 4.14Å; F263-I304 HydrophobicContact CE1-CG2 3.71Å; F263-I304 HydrophobicContact CZ-CB 4.32Å; F263-I304 HydrophobicContact CZ-CG2 3.6Å; F263-Y308 HydrophobicContact CE2-CD2 4.32Å; F263-Y308 HydrophobicContact CE2-CE2 4.37Å; F263-Y308 HydrophobicContact CZ-CD2 4.31Å; F263-Y308 HydrophobicContact CZ-CE2 4.41Å; F263-F317 HydrophobicContact CD2-CD1 4.08Å; F263-F317 AromaticContact CE2-CD1 3.62Å; F263-F317 HydrophobicContact CE2-CD1 3.62Å; F263-F317 AromaticContact CE2-CE1 3.85Å; F263-F317 HydrophobicContact CE2-CE1 3.85Å; F263-I318 PolarHBondContact N-O 2.96Å; F263-V320 PolarHBondContact O-N 2.99Å; F263-L327 HydrophobicContact CB-CD1 4.31Å; F263-L327 HydrophobicContact CB-CD2 3.94Å; F263-L327 HydrophobicContact CB-CG 4.34Å; F263-L327 HydrophobicContact CD1-CD1 4.42Å; F263-L327 WeakPolarHBondContact O-CD2 3.25Å; F263-L331 HydrophobicContact CB-CD1 3.94Å; F263-L331 HydrophobicContact CD1-CD1 4.26Å; F263-L331 HydrophobicContact CD1-CD2 4.19Å; F263-L331 HydrophobicContact CD2-CD1 4.1Å; F263-L331 HydrophobicContact CE1-CD2 4.07Å; F263-L331 HydrophobicContact CG-CD1 3.86Å; F263-L331 HydrophobicContact CZ-CD2 4.25Å |
| 264 | M | 97.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.8 | 179.5 | -61 | 176.9 | -57.9 | 0 | 0 | 109.6 | V262 S266 D269 L289 R290 V291 A292 V320 | V262-M264 HydrophobicContact CG1-CG 4.18Å; M264-S266 PolarHBondContact O-N 3.02Å; M264-D269 HydrophobicContact CB-CB 4.28Å; M264-D269 VanDerWaalsContact SD-O 3.39Å; M264-L289 HydrophobicContact CE-CB 4.04Å; M264-R290 PolarHBondContact N-O 3.17Å; M264-V291 HydrophobicContact CE-CG2 3.91Å; M264-V291 WeakPolarHBondContact O-CA 3.46Å; M264-A292 PolarHBondContact O-N 2.86Å; M264-V320 WeakPolarHBondContact CA-O 3.43Å; M264-V320 HydrophobicContact CG-CB 4.28Å |
| 265 | G | 94.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -67.5 | -22.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | A292 V320 | G265-A292 WeakPolarHBondContact CA-O 3.48Å; G265-V320 PolarHBondContact N-O 2.94Å |
| 266 | S | 92.3 | Very high | 94 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -148.8 | 152.1 | 177.6 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | M264 K268 D269 | M264-S266 PolarHBondContact O-N 3.02Å; S266-K268 PolarHBondContact O-N 2.78Å; S266-K268 VanDerWaalsContact O-N 3.14Å; S266-D269 PolarHBondContact N-OD2 2.9Å; S266-D269 WeakPolarHBondContact O-CB 3.3Å; S266-D269 PolarHBondContact O-N 2.93Å |
| 267 | D | 92.6 | Very high | 95.2 | Very high | 117 Ų | 117 | 49 Ų | 49 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -62.4 | -16.8 | 170.9 | -174.9 | 44.9 | 0 | 0 | 0 | 113.8 | D269 S270 | D267-D269 PolarHBondContact O-N 3.36Å; D267-S270 VanDerWaalsContact O-CB 3.23Å; D267-S270 WeakPolarHBondContact O-CB 3.26Å; D267-S270 PolarHBondContact O-N 3.24Å; D267-S270 PolarHBondContact O-OG 3.39Å; D267-S270 PolarHBondContact OD1-OG 2.6Å |
| 268 | K | 90.5 | Very high | 95.9 | Very high | 186 Ų | 186 | 42.7 Ų | 42.7 | 81% | 0.809 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -64.5 | -24.9 | 171.6 | -66 | -173.2 | 176.9 | -170.3 | 0 | 112.9 | S266 S270 | S266-K268 PolarHBondContact O-N 2.78Å; S266-K268 VanDerWaalsContact O-N 3.14Å; K268-S270 PolarHBondContact O-N 2.63Å |
| 269 | D | 90.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -87.1 | 6.3 | -179.4 | -52.2 | -45.7 | 0 | 0 | 0 | 111.9 | M264 S266 D267 E271 C272 G273 V320 | M264-D269 HydrophobicContact CB-CB 4.28Å; M264-D269 VanDerWaalsContact SD-O 3.39Å; S266-D269 PolarHBondContact N-OD2 2.9Å; S266-D269 WeakPolarHBondContact O-CB 3.3Å; S266-D269 PolarHBondContact O-N 2.93Å; D267-D269 PolarHBondContact O-N 3.36Å; D269-E271 VanDerWaalsContact C-N 3.31Å; D269-E271 PolarHBondContact O-N 3.35Å; D269-C272 WeakPolarHBondContact O-CA 3.49Å; D269-C272 VanDerWaalsContact O-CB 3.22Å; D269-C272 WeakPolarHBondContact O-CB 3.41Å; D269-C272 PolarHBondContact O-N 3.41Å; D269-G273 PolarHBondContact O-N 3.24Å; D269-G273 VanDerWaalsContact O-N 3.14Å; D269-V320 HydrophobicContact CB-CG1 4Å |
| 270 | S | 93.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -39.3 | -176.7 | -73.4 | 0 | 0 | 0 | 0 | 113 | D267 K268 C272 G273 E274 | D267-S270 VanDerWaalsContact O-CB 3.23Å; D267-S270 WeakPolarHBondContact O-CB 3.26Å; D267-S270 PolarHBondContact O-N 3.24Å; D267-S270 PolarHBondContact O-OG 3.39Å; D267-S270 PolarHBondContact OD1-OG 2.6Å; K268-S270 PolarHBondContact O-N 2.63Å; S270-C272 VanDerWaalsContact C-N 3.28Å; S270-C272 PolarHBondContact O-N 3.08Å; S270-G273 PolarHBondContact O-N 3.02Å; S270-E274 VanDerWaalsContact O-CG 3.3Å; S270-E274 WeakPolarHBondContact O-CG 3.25Å; S270-E274 PolarHBondContact O-N 3.26Å |
| 271 | E | 95.2 | Very high | 95.9 | Very high | 158 Ų | 158 | 50 Ų | 50 | 74% | 0.738 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.8 | -35.6 | 174.3 | -67.4 | -173.6 | 177.8 | 0 | 0 | 112.5 | D269 E274 M275 | D269-E271 VanDerWaalsContact C-N 3.31Å; D269-E271 PolarHBondContact O-N 3.35Å; E271-E274 PolarHBondContact O-N 3.36Å; E271-M275 WeakPolarHBondContact O-CG 3.46Å; E271-M275 PolarHBondContact O-N 3.29Å |
| 272 | C | 95.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 8% | 0.081 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -46.2 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111 | D269 S270 E274 M275 I276 V320 Y372 | D269-C272 WeakPolarHBondContact O-CA 3.49Å; D269-C272 VanDerWaalsContact O-CB 3.22Å; D269-C272 WeakPolarHBondContact O-CB 3.41Å; D269-C272 PolarHBondContact O-N 3.41Å; S270-C272 VanDerWaalsContact C-N 3.28Å; S270-C272 PolarHBondContact O-N 3.08Å; C272-E274 VanDerWaalsContact C-N 3.3Å; C272-E274 PolarHBondContact O-N 3.37Å; C272-M275 PolarHBondContact O-N 3.2Å; C272-I276 WeakPolarHBondContact O-CG1 3.35Å; C272-I276 PolarHBondContact O-N 2.94Å; C272-V320 HydrophobicContact CB-CG1 3.91Å; C272-Y372 HydrophobicContact CB-CE1 3.83Å; C272-Y372 PolarHBondContact SG-OH 2.86Å |
| 273 | G | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D269 S270 M275 I276 R277 | D269-G273 PolarHBondContact O-N 3.24Å; D269-G273 VanDerWaalsContact O-N 3.14Å; S270-G273 PolarHBondContact O-N 3.02Å; G273-M275 PolarHBondContact O-N 3.15Å; G273-I276 PolarHBondContact O-N 3.35Å; G273-R277 WeakPolarHBondContact O-CB 3.12Å; G273-R277 PolarHBondContact O-N 3.45Å |
| 274 | E | 97.7 | Very high | 95 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 177.2 | -74.5 | -62.7 | 172.9 | 0 | 0 | 113.4 | S270 E271 C272 R277 S278 L289 | S270-E274 VanDerWaalsContact O-CG 3.3Å; S270-E274 WeakPolarHBondContact O-CG 3.25Å; S270-E274 PolarHBondContact O-N 3.26Å; E271-E274 PolarHBondContact O-N 3.36Å; C272-E274 VanDerWaalsContact C-N 3.3Å; C272-E274 PolarHBondContact O-N 3.37Å; E274-R277 PolarHBondContact O-N 3.48Å; E274-R277 IonicContact OE1-CZ 2.71Å; E274-R277 IonicContact OE1-NE 3.4Å; E274-R277 IonicContact OE1-NH1 2.72Å; E274-R277 IonicContact OE1-NH2 3.49Å; E274-R277 PolarHBondContact OE1-NH2 3.36Å; E274-R277 IonicContact OE2-CZ 2.83Å; E274-R277 IonicContact OE2-NE 2.66Å; E274-R277 PolarHBondContact OE2-NE 3.43Å; E274-R277 IonicContact OE2-NH2 3.29Å; E274-R277 PolarHBondContact OE2-NH2 2.88Å; E274-S278 PolarHBondContact O-N 2.7Å; E274-L289 HydrophobicContact CG-CD1 4.08Å; E274-L289 WeakPolarHBondContact OE1-CD1 3.49Å |
| 275 | M | 97.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 173.6 | -75.6 | -172 | -75.2 | 0 | 0 | 111.1 | E271 C272 G273 R277 S278 Y279 Y372 | E271-M275 WeakPolarHBondContact O-CG 3.46Å; E271-M275 PolarHBondContact O-N 3.29Å; C272-M275 PolarHBondContact O-N 3.2Å; G273-M275 PolarHBondContact O-N 3.15Å; M275-R277 VanDerWaalsContact C-N 3.35Å; M275-R277 PolarHBondContact O-N 2.89Å; M275-S278 PolarHBondContact O-N 2.95Å; M275-S278 PolarHBondContact O-OG 2.95Å; M275-Y279 HydrophobicContact CB-CE2 4.44Å; M275-Y279 WeakPolarHBondContact O-CD2 3.22Å; M275-Y279 PolarHBondContact O-N 3Å; M275-Y372 HydrophobicContact CB-CD2 4.44Å; M275-Y372 HydrophobicContact CE-CD2 3.42Å; M275-Y372 VanDerWaalsContact CE-CD2 3.42Å; M275-Y372 HydrophobicContact CE-CE2 3.29Å; M275-Y372 HydrophobicContact CE-CG 4.36Å; M275-Y372 HydrophobicContact SD-CD2 3.96Å; M275-Y372 HydrophobicContact SD-CE2 4.32Å |
| 276 | I | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 177.9 | -63.5 | 169.5 | 0 | 0 | 0 | 110.6 | V262 C272 G273 S278 Y279 L280 I318 V320 C342 Y372 A376 | V262-I276 HydrophobicContact CG1-CD1 4.22Å; V262-I276 HydrophobicContact CG2-CB 4.36Å; V262-I276 HydrophobicContact CG2-CG2 3.84Å; C272-I276 WeakPolarHBondContact O-CG1 3.35Å; C272-I276 PolarHBondContact O-N 2.94Å; G273-I276 PolarHBondContact O-N 3.35Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 2.86Å; I276-Y279 PolarHBondContact O-N 2.8Å; I276-L280 HydrophobicContact CG2-CD1 3.81Å; I276-L280 HydrophobicContact CG2-CG 4.49Å; I276-L280 WeakPolarHBondContact O-CG 3.19Å; I276-L280 PolarHBondContact O-N 2.94Å; I276-L280 VanDerWaalsContact O-N 3.08Å; I276-I318 HydrophobicContact CD1-CG2 4.05Å; I276-I318 HydrophobicContact CG2-CD1 3.68Å; I276-V320 HydrophobicContact CD1-CG2 3.72Å; I276-C342 HydrophobicContact CD1-CB 4.49Å; I276-Y372 HydrophobicContact CD1-CD1 4.01Å; I276-Y372 HydrophobicContact CG1-CD1 4.01Å; I276-Y372 HydrophobicContact CG1-CG 4.23Å; I276-A376 HydrophobicContact CG2-CB 4.34Å |
| 277 | R | 98.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 176.6 | 178.9 | 168 | 78.5 | 166.5 | 10.3 | 112.1 | G273 E274 M275 Y279 L280 Q281 C287 L289 | G273-R277 WeakPolarHBondContact O-CB 3.12Å; G273-R277 PolarHBondContact O-N 3.45Å; E274-R277 PolarHBondContact O-N 3.48Å; E274-R277 IonicContact OE1-CZ 2.71Å; E274-R277 IonicContact OE1-NE 3.4Å; E274-R277 IonicContact OE1-NH1 2.72Å; E274-R277 IonicContact OE1-NH2 3.49Å; E274-R277 PolarHBondContact OE1-NH2 3.36Å; E274-R277 IonicContact OE2-CZ 2.83Å; E274-R277 IonicContact OE2-NE 2.66Å; E274-R277 PolarHBondContact OE2-NE 3.43Å; E274-R277 IonicContact OE2-NH2 3.29Å; E274-R277 PolarHBondContact OE2-NH2 2.88Å; M275-R277 VanDerWaalsContact C-N 3.35Å; M275-R277 PolarHBondContact O-N 2.89Å; R277-Y279 VanDerWaalsContact C-N 3.32Å; R277-Y279 PolarHBondContact O-N 2.96Å; R277-L280 PolarHBondContact O-N 3.31Å; R277-Q281 HydrophobicContact CG-CG 4.33Å; R277-Q281 WeakPolarHBondContact O-CG 3.21Å; R277-Q281 PolarHBondContact O-N 2.81Å; R277-C287 HydrophobicContact CB-CB 4.33Å; R277-C287 HydrophobicContact CG-CB 3.99Å; R277-L289 HydrophobicContact CB-CD2 4.3Å |
| 278 | S | 98 | Very high | 95.4 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | -179.9 | 81.8 | 0 | 0 | 0 | 0 | 112.8 | E274 M275 I276 K282 | E274-S278 PolarHBondContact O-N 2.7Å; M275-S278 PolarHBondContact O-N 2.95Å; M275-S278 PolarHBondContact O-OG 2.95Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 2.86Å; S278-K282 WeakPolarHBondContact O-CG 3.31Å; S278-K282 PolarHBondContact O-N 3.11Å |
| 279 | Y | 97.6 | Very high | 95.8 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -40.5 | 176 | -66.8 | -63.8 | 0 | 0 | 0 | 111.6 | M275 I276 R277 K282 L283 E373 | M275-Y279 HydrophobicContact CB-CE2 4.44Å; M275-Y279 WeakPolarHBondContact O-CD2 3.22Å; M275-Y279 PolarHBondContact O-N 3Å; I276-Y279 PolarHBondContact O-N 2.8Å; R277-Y279 VanDerWaalsContact C-N 3.32Å; R277-Y279 PolarHBondContact O-N 2.96Å; Y279-K282 PolarHBondContact O-N 2.98Å; Y279-L283 PolarHBondContact O-N 2.83Å; Y279-E373 HydrophobicContact CD1-CB 3.99Å; Y279-E373 HydrophobicContact CD1-CG 3.7Å; Y279-E373 HydrophobicContact CD2-CB 3.86Å; Y279-E373 HydrophobicContact CD2-CG 4.41Å; Y279-E373 HydrophobicContact CE1-CB 3.85Å; Y279-E373 HydrophobicContact CE1-CG 3.81Å; Y279-E373 HydrophobicContact CE2-CB 3.73Å; Y279-E373 HydrophobicContact CG-CB 4.02Å; Y279-E373 HydrophobicContact CG-CG 4.05Å |
| 280 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | 176.4 | -69.8 | 165.6 | 0 | 0 | 0 | 112.5 | V260 I276 R277 K282 L283 G284 I285 C287 A376 A379 | V260-L280 HydrophobicContact CB-CD1 3.7Å; V260-L280 HydrophobicContact CB-CD2 4.48Å; V260-L280 HydrophobicContact CG1-CD1 3.65Å; V260-L280 HydrophobicContact CG2-CD1 4.01Å; V260-L280 HydrophobicContact CG2-CD2 3.86Å; I276-L280 HydrophobicContact CG2-CD1 3.81Å; I276-L280 HydrophobicContact CG2-CG 4.49Å; I276-L280 WeakPolarHBondContact O-CG 3.19Å; I276-L280 PolarHBondContact O-N 2.94Å; I276-L280 VanDerWaalsContact O-N 3.08Å; R277-L280 PolarHBondContact O-N 3.31Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.26Å; L280-L283 CarbonylContact O-C 3.47Å; L280-L283 WeakPolarHBondContact O-CA 3.42Å; L280-L283 WeakPolarHBondContact O-CB 3.49Å; L280-L283 PolarHBondContact O-N 3.17Å; L280-G284 PolarHBondContact O-N 3.3Å; L280-G284 VanDerWaalsContact O-N 3.11Å; L280-I285 HydrophobicContact CB-CB 4.23Å; L280-I285 HydrophobicContact CD2-CB 4.25Å; L280-I285 HydrophobicContact CD2-CD1 3.88Å; L280-I285 HydrophobicContact CD2-CG2 4.2Å; L280-I285 PolarHBondContact O-N 2.93Å; L280-C287 HydrophobicContact CB-CB 4.28Å; L280-C287 HydrophobicContact CD1-CB 3.81Å; L280-A376 HydrophobicContact CD2-CB 3.91Å; L280-A376 HydrophobicContact CG-CB 3.77Å; L280-A379 HydrophobicContact CD2-CB 4.43Å |
| 281 | Q | 94.5 | Very high | 96.4 | Very high | 117 Ų | 117 | 54.7 Ų | 54.7 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 176.1 | -76 | 175 | -14 | 0 | 0 | 112.2 | R277 L283 G284 | R277-Q281 HydrophobicContact CG-CG 4.33Å; R277-Q281 WeakPolarHBondContact O-CG 3.21Å; R277-Q281 PolarHBondContact O-N 2.81Å; Q281-L283 PolarHBondContact O-N 2.66Å; Q281-G284 PolarHBondContact O-N 2.99Å |
| 282 | K | 92.3 | Very high | 96.4 | Very high | 142 Ų | 142 | 47.6 Ų | 47.6 | 62% | 0.617 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.7 | -25.7 | 172.5 | -69.2 | 170.4 | -174.1 | 170.1 | 0 | 112.3 | S278 Y279 L280 R393 | S278-K282 WeakPolarHBondContact O-CG 3.31Å; S278-K282 PolarHBondContact O-N 3.11Å; Y279-K282 PolarHBondContact O-N 2.98Å; L280-K282 VanDerWaalsContact C-N 3.33Å; L280-K282 PolarHBondContact O-N 3.26Å; K282-R393 PolarHBondContact O-NH1 3.5Å |
| 283 | L | 93.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 1.3 | 174.5 | -62.4 | 171.6 | 0 | 0 | 0 | 113.4 | Y279 L280 Q281 I285 L377 A380 R393 L394 N397 | Y279-L283 PolarHBondContact O-N 2.83Å; L280-L283 CarbonylContact O-C 3.47Å; L280-L283 WeakPolarHBondContact O-CA 3.42Å; L280-L283 WeakPolarHBondContact O-CB 3.49Å; L280-L283 PolarHBondContact O-N 3.17Å; Q281-L283 PolarHBondContact O-N 2.66Å; L283-I285 VanDerWaalsContact C-N 3.31Å; L283-I285 HydrophobicContact CB-CD1 3.95Å; L283-I285 HydrophobicContact CB-CG1 4.25Å; L283-L377 HydrophobicContact CD1-CD2 4.02Å; L283-A380 HydrophobicContact CD1-CB 3.54Å; L283-R393 VanDerWaalsContact C-CD 3.46Å; L283-R393 HydrophobicContact CD2-CB 4.26Å; L283-R393 VanDerWaalsContact O-CD 3.25Å; L283-R393 WeakPolarHBondContact O-CD 3.47Å; L283-L394 HydrophobicContact CD1-CD2 4.22Å; L283-L394 HydrophobicContact CD2-CD2 4.06Å; L283-L394 HydrophobicContact CD2-CG 4.49Å; L283-N397 VanDerWaalsContact CD2-ND2 3.33Å; L283-N397 WeakPolarHBondContact CD2-ND2 3.47Å |
| 284 | G | 90.9 | Very high | 96.6 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 36% | 0.361 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 17.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L280 Q281 R393 | L280-G284 PolarHBondContact O-N 3.3Å; L280-G284 VanDerWaalsContact O-N 3.11Å; Q281-G284 PolarHBondContact O-N 2.99Å; G284-R393 VanDerWaalsContact N-NH1 3.11Å |
| 285 | I | 94.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -97.9 | 129.6 | -177.3 | -59.9 | 165 | 0 | 0 | 0 | 109.3 | V260 L280 L283 A380 L383 V390 | V260-I285 HydrophobicContact CB-CG2 4.5Å; V260-I285 HydrophobicContact CG2-CG2 3.82Å; L280-I285 HydrophobicContact CB-CB 4.23Å; L280-I285 HydrophobicContact CD2-CB 4.25Å; L280-I285 HydrophobicContact CD2-CD1 3.88Å; L280-I285 HydrophobicContact CD2-CG2 4.2Å; L280-I285 PolarHBondContact O-N 2.93Å; L283-I285 VanDerWaalsContact C-N 3.31Å; L283-I285 HydrophobicContact CB-CD1 3.95Å; L283-I285 HydrophobicContact CB-CG1 4.25Å; I285-A380 HydrophobicContact CD1-CB 3.45Å; I285-A380 VanDerWaalsContact CD1-CB 3.45Å; I285-L383 HydrophobicContact CD1-CD1 4.32Å; I285-L383 HydrophobicContact CG2-CD1 3.86Å; I285-V390 HydrophobicContact CD1-CG1 3.8Å; I285-V390 HydrophobicContact CD1-CG2 4.3Å; I285-V390 HydrophobicContact CG1-CG1 4.19Å; I285-V390 HydrophobicContact CG1-CG2 3.77Å | ||
| 286 | H | 95.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 56.5 Ų | 56.5 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 137.2 | 173 | -175.9 | 71.9 | 0 | 0 | 0 | 110.5 | R259 V260 D288 | R259-H286 WeakPolarHBondContact CA-O 3.39Å; R259-H286 HydrophobicContact CB-CB 4.39Å; V260-H286 PolarHBondContact N-O 3.45Å; H286-D288 IonicContact NE2-OD1 2.85Å; H286-D288 PolarHBondContact NE2-OD1 2.92Å |
| 287 | C | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.8 | -175.7 | 178 | 0 | 0 | 0 | 0 | 111.3 | V260 R277 L280 | V260-C287 VanDerWaalsContact O-CA 3.25Å; V260-C287 WeakPolarHBondContact O-CA 3.4Å; R277-C287 HydrophobicContact CB-CB 4.33Å; R277-C287 HydrophobicContact CG-CB 3.99Å; L280-C287 HydrophobicContact CB-CB 4.28Å; L280-C287 HydrophobicContact CD1-CB 3.81Å |
| 288 | D | 97.8 | Very high | 96.4 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.1 | 171.5 | -73.5 | -28.9 | 0 | 0 | 0 | 110.7 | V260 V261 V262 H286 Y308 | V260-D288 PolarHBondContact O-N 3.32Å; V261-D288 WeakPolarHBondContact CA-O 3.22Å; V261-D288 HydrophobicContact CG1-CB 4.31Å; V261-D288 HydrophobicContact CG2-CB 4.28Å; V262-D288 PolarHBondContact N-O 3.35Å; H286-D288 IonicContact NE2-OD1 2.85Å; H286-D288 PolarHBondContact NE2-OD1 2.92Å; D288-Y308 WeakPolarHBondContact CB-OH 3.23Å; D288-Y308 VanDerWaalsContact OD2-CE1 3.29Å; D288-Y308 WeakPolarHBondContact OD2-CE1 3.22Å; D288-Y308 PolarHBondContact OD2-OH 2.96Å |
| 289 | L | 98.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 59.5 Ų | 59.5 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.3 | 172 | -55.8 | -175.5 | 0 | 0 | 0 | 109 | V262 M264 E274 R277 | V262-L289 HydrophobicContact CB-CD2 3.65Å; V262-L289 HydrophobicContact CG1-CD2 4.39Å; V262-L289 HydrophobicContact CG2-CD2 3.87Å; M264-L289 HydrophobicContact CE-CB 4.04Å; E274-L289 HydrophobicContact CG-CD1 4.08Å; E274-L289 WeakPolarHBondContact OE1-CD1 3.49Å; R277-L289 HydrophobicContact CB-CD2 4.3Å |
| 290 | R | 98.3 | Very high | 96.4 | Very high | 63 Ų | 63 | 60.9 Ų | 60.9 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | 177.9 | -59.2 | -62.7 | -72.5 | -90.2 | 5.3 | 110.4 | V261 V262 F263 M264 I304 E307 Y308 | V261-R290 HydrophobicContact CG1-CG 3.98Å; V262-R290 PolarHBondContact O-N 3.42Å; F263-R290 CarbonylContact C-O 3.58Å; F263-R290 WeakPolarHBondContact CA-O 3.41Å; M264-R290 PolarHBondContact N-O 3.17Å; R290-I304 HydrophobicContact CB-CG2 4.49Å; R290-I304 HydrophobicContact CG-CG2 4.24Å; R290-E307 IonicContact CZ-OE2 3.6Å; R290-E307 IonicContact NH1-OE2 2.9Å; R290-E307 PolarHBondContact NH1-OE2 3.36Å; R290-E307 VanDerWaalsContact NH1-OE2 3.14Å; R290-E307 IonicContact NH2-OE2 2.67Å; R290-E307 PolarHBondContact NH2-OE2 2.77Å; R290-Y308 VanDerWaalsContact CD-OH 3.28Å; R290-Y308 WeakPolarHBondContact CD-OH 3.34Å; R290-Y308 HydrophobicContact CG-CE2 3.9Å; R290-Y308 WeakPolarHBondContact CG-OH 3.43Å; R290-Y308 PolarHBondContact NH1-OH 2.88Å |
| 291 | V | 97.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.4 | 171.7 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | M264 | M264-V291 HydrophobicContact CE-CG2 3.91Å; M264-V291 WeakPolarHBondContact O-CA 3.46Å |
| 292 | A | 96.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 58 Ų | 58 | 7% | 0.066 | 31% | 0.305 | C | S | . | . | trans | -153 | 138.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F263 M264 G265 T301 I304 | F263-A292 HydrophobicContact CD1-CB 3.95Å; F263-A292 HydrophobicContact CE1-CB 4.27Å; M264-A292 PolarHBondContact O-N 2.86Å; G265-A292 WeakPolarHBondContact CA-O 3.48Å; A292-T301 HydrophobicContact CB-CG2 4.12Å; A292-I304 HydrophobicContact CB-CD1 4.07Å | ||
| 293 | S | 97.5 | Very high | 96.9 | Very high | 26 Ų | 26 | 56.6 Ų | 56.6 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | trans | -114 | 116.6 | -177.4 | -176.3 | 0 | 0 | 0 | 0 | 111 | H295 K296 G297 T301 | S293-H295 PolarHBondContact O-N 3.25Å; S293-H295 PolarHBondContact OG-N 3.24Å; S293-K296 PolarHBondContact O-N 3.23Å; S293-K296 PolarHBondContact OG-N 3.28Å; S293-G297 CarbonylContact O-C 3.46Å; S293-G297 WeakPolarHBondContact O-CA 3.1Å; S293-G297 PolarHBondContact O-N 2.83Å; S293-T301 PolarHBondContact O-OG1 3.37Å | ||
| 294 | A | 97.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T298 L327 I330 | A294-T298 PolarHBondContact O-OG1 3.2Å; A294-L327 HydrophobicContact CB-CB 4.37Å; A294-L327 HydrophobicContact CB-CD1 4.36Å; A294-I330 HydrophobicContact CB-CB 4.04Å; A294-I330 HydrophobicContact CB-CG1 3.93Å; A294-I330 HydrophobicContact CB-CG2 4.34Å |
| 295 | H | 97 | Very high | 97.5 | Very high | 125 Ų | 125 | 55.3 Ų | 55.3 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -37.4 | 179.9 | -59.2 | 151 | 0 | 0 | 0 | 113.5 | S293 S324 | S293-H295 PolarHBondContact O-N 3.25Å; S293-H295 PolarHBondContact OG-N 3.24Å; H295-S324 PolarHBondContact CE1-O 2.83Å; H295-S324 VanDerWaalsContact CE1-O 3.29Å |
| 296 | K | 96.7 | Very high | 97.7 | Very high | 194 Ų | 194 | 57.6 Ų | 57.6 | 84% | 0.843 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -13.7 | -173.8 | -58.5 | 176.3 | -176.3 | 173.5 | 0 | 113.5 | S293 | S293-K296 PolarHBondContact O-N 3.23Å; S293-K296 PolarHBondContact OG-N 3.28Å |
| 297 | G | 96.2 | Very high | 97.8 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | trans | -157.3 | 53.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S293 V299 E300 T301 | S293-G297 CarbonylContact O-C 3.46Å; S293-G297 WeakPolarHBondContact O-CA 3.1Å; S293-G297 PolarHBondContact O-N 2.83Å; G297-V299 PolarHBondContact O-N 2.99Å; G297-E300 PolarHBondContact O-N 3.42Å; G297-T301 PolarHBondContact O-N 3.35Å; G297-T301 PolarHBondContact O-OG1 3.05Å | ||
| 298 | T | 97.9 | Very high | 97.8 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.4 | -50 | -176.2 | -41.4 | 0 | 0 | 0 | 0 | 112.2 | A294 E300 T301 L302 | A294-T298 PolarHBondContact O-OG1 3.2Å; T298-E300 VanDerWaalsContact C-N 3.29Å; T298-E300 PolarHBondContact O-N 3.49Å; T298-T301 WeakPolarHBondContact O-CB 3.44Å; T298-T301 PolarHBondContact O-N 2.81Å; T298-L302 WeakPolarHBondContact O-CG 3.45Å; T298-L302 PolarHBondContact O-N 3.29Å |
| 299 | V | 98.2 | Very high | 97.7 | Very high | 101 Ų | 101 | 58.5 Ų | 58.5 | 61% | 0.612 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | -179.3 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | G297 L302 K303 | G297-V299 PolarHBondContact O-N 2.99Å; V299-L302 PolarHBondContact O-N 3.42Å; V299-K303 WeakPolarHBondContact O-CG 3.43Å; V299-K303 PolarHBondContact O-N 3.48Å |
| 300 | E | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 179.3 | -163.9 | 58.4 | -153.9 | 0 | 0 | 111.5 | G297 T298 L302 K303 I304 | G297-E300 PolarHBondContact O-N 3.42Å; T298-E300 VanDerWaalsContact C-N 3.29Å; T298-E300 PolarHBondContact O-N 3.49Å; E300-L302 VanDerWaalsContact C-N 3.28Å; E300-L302 PolarHBondContact O-N 3.45Å; E300-K303 PolarHBondContact O-N 3.5Å; E300-K303 VanDerWaalsContact O-N 3.17Å; E300-K303 IonicContact OE2-NZ 3.42Å; E300-K303 PolarHBondContact OE2-NZ 2.97Å; E300-I304 HydrophobicContact CG-CD1 4.36Å; E300-I304 WeakPolarHBondContact O-CG1 3.32Å; E300-I304 PolarHBondContact O-N 3.46Å |
| 301 | T | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 174.1 | -54 | 0 | 0 | 0 | 0 | 111.2 | F263 A292 S293 G297 T298 I304 L305 L327 L331 | F263-T301 HydrophobicContact CD1-CG2 4.34Å; F263-T301 HydrophobicContact CE1-CG2 4.26Å; A292-T301 HydrophobicContact CB-CG2 4.12Å; S293-T301 PolarHBondContact O-OG1 3.37Å; G297-T301 PolarHBondContact O-N 3.35Å; G297-T301 PolarHBondContact O-OG1 3.05Å; T298-T301 WeakPolarHBondContact O-CB 3.44Å; T298-T301 PolarHBondContact O-N 2.81Å; T301-I304 PolarHBondContact O-N 3.3Å; T301-L305 WeakPolarHBondContact O-CB 3.44Å; T301-L305 PolarHBondContact O-N 3.08Å; T301-L327 HydrophobicContact CG2-CD1 3.87Å; T301-L331 HydrophobicContact CG2-CD2 4.03Å |
| 302 | L | 98.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 63.3 Ų | 63.3 | 29% | 0.293 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 178 | -65.3 | 176.4 | 0 | 0 | 0 | 112.9 | T298 V299 E300 L305 A306 I330 N334 | T298-L302 WeakPolarHBondContact O-CG 3.45Å; T298-L302 PolarHBondContact O-N 3.29Å; V299-L302 PolarHBondContact O-N 3.42Å; E300-L302 VanDerWaalsContact C-N 3.28Å; E300-L302 PolarHBondContact O-N 3.45Å; L302-L305 HydrophobicContact CD2-CD2 4.46Å; L302-L305 PolarHBondContact O-N 3.28Å; L302-A306 WeakPolarHBondContact O-CB 3Å; L302-A306 PolarHBondContact O-N 3.07Å; L302-I330 HydrophobicContact CD2-CG2 4.2Å; L302-N334 HydrophobicContact CD2-CB 3.68Å |
| 303 | K | 98.4 | Very high | 97 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 173.2 | -72.8 | 175.8 | -174.5 | 168.7 | 0 | 111.7 | V299 E300 L305 A306 E307 | V299-K303 WeakPolarHBondContact O-CG 3.43Å; V299-K303 PolarHBondContact O-N 3.48Å; E300-K303 PolarHBondContact O-N 3.5Å; E300-K303 VanDerWaalsContact O-N 3.17Å; E300-K303 IonicContact OE2-NZ 3.42Å; E300-K303 PolarHBondContact OE2-NZ 2.97Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 2.67Å; K303-A306 WeakPolarHBondContact O-CB 3.48Å; K303-A306 PolarHBondContact O-N 3.37Å; K303-A306 VanDerWaalsContact O-N 3.12Å; K303-E307 PolarHBondContact O-N 2.93Å |
| 304 | I | 98.4 | Very high | 96.9 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.051 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.5 | -64.4 | 171.5 | 0 | 0 | 0 | 110.4 | F263 R290 A292 E300 T301 A306 E307 Y308 | F263-I304 HydrophobicContact CE1-CB 4.14Å; F263-I304 HydrophobicContact CE1-CG2 3.71Å; F263-I304 HydrophobicContact CZ-CB 4.32Å; F263-I304 HydrophobicContact CZ-CG2 3.6Å; R290-I304 HydrophobicContact CB-CG2 4.49Å; R290-I304 HydrophobicContact CG-CG2 4.24Å; A292-I304 HydrophobicContact CB-CD1 4.07Å; E300-I304 HydrophobicContact CG-CD1 4.36Å; E300-I304 WeakPolarHBondContact O-CG1 3.32Å; E300-I304 PolarHBondContact O-N 3.46Å; T301-I304 PolarHBondContact O-N 3.3Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-A306 PolarHBondContact O-N 2.63Å; I304-E307 WeakPolarHBondContact O-CB 3.46Å; I304-E307 PolarHBondContact O-N 2.87Å; I304-Y308 HydrophobicContact CG2-CD2 4.26Å; I304-Y308 HydrophobicContact CG2-CE2 3.87Å; I304-Y308 WeakPolarHBondContact O-CD2 3.46Å |
| 305 | L | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 173.4 | 176.4 | 63 | 0 | 0 | 0 | 111.5 | T301 L302 K303 E307 Y308 E309 F317 L331 N334 T335 | T301-L305 WeakPolarHBondContact O-CB 3.44Å; T301-L305 PolarHBondContact O-N 3.08Å; L302-L305 HydrophobicContact CD2-CD2 4.46Å; L302-L305 PolarHBondContact O-N 3.28Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 2.67Å; L305-E307 VanDerWaalsContact C-N 3.32Å; L305-E307 PolarHBondContact O-N 3.01Å; L305-Y308 PolarHBondContact O-N 3.34Å; L305-Y308 VanDerWaalsContact O-N 3.09Å; L305-E309 PolarHBondContact O-N 2.99Å; L305-E309 VanDerWaalsContact O-N 3.14Å; L305-F317 HydrophobicContact CD1-CD1 4.43Å; L305-F317 HydrophobicContact CD1-CD2 4Å; L305-F317 HydrophobicContact CD1-CE1 3.93Å; L305-F317 HydrophobicContact CD1-CE2 3.39Å; L305-F317 HydrophobicContact CD1-CG 4.49Å; L305-F317 HydrophobicContact CD1-CZ 3.38Å; L305-L331 HydrophobicContact CB-CD2 4.3Å; L305-L331 HydrophobicContact CD1-CD2 4.22Å; L305-L331 HydrophobicContact CD2-CD2 4.09Å; L305-L331 HydrophobicContact CG-CD2 4.45Å; L305-N334 HydrophobicContact CD2-CB 4.12Å; L305-T335 HydrophobicContact CD1-CG2 4.27Å |
| 306 | A | 98 | Very high | 97 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 44% | 0.438 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -30.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L302 K303 I304 Y308 E309 G310 | L302-A306 WeakPolarHBondContact O-CB 3Å; L302-A306 PolarHBondContact O-N 3.07Å; K303-A306 WeakPolarHBondContact O-CB 3.48Å; K303-A306 PolarHBondContact O-N 3.37Å; K303-A306 VanDerWaalsContact O-N 3.12Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-A306 PolarHBondContact O-N 2.63Å; A306-Y308 PolarHBondContact O-N 3.22Å; A306-E309 PolarHBondContact O-N 2.66Å; A306-G310 PolarHBondContact O-N 3.12Å |
| 307 | E | 97.9 | Very high | 97.1 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56 | -43.6 | 171.3 | -68.6 | 170.6 | 176.5 | 0 | 0 | 110.8 | R290 K303 I304 L305 G310 | R290-E307 IonicContact CZ-OE2 3.6Å; R290-E307 IonicContact NH1-OE2 2.9Å; R290-E307 PolarHBondContact NH1-OE2 3.36Å; R290-E307 VanDerWaalsContact NH1-OE2 3.14Å; R290-E307 IonicContact NH2-OE2 2.67Å; R290-E307 PolarHBondContact NH2-OE2 2.77Å; K303-E307 PolarHBondContact O-N 2.93Å; I304-E307 WeakPolarHBondContact O-CB 3.46Å; I304-E307 PolarHBondContact O-N 2.87Å; L305-E307 VanDerWaalsContact C-N 3.32Å; L305-E307 PolarHBondContact O-N 3.01Å; E307-G310 PolarHBondContact O-N 3.08Å |
| 308 | Y | 97.8 | Very high | 97.3 | Very high | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.5 | -22.3 | -177.1 | -68 | -56.7 | 0 | 0 | 0 | 114.6 | R259 V261 F263 D288 R290 I304 L305 A306 F317 | R259-Y308 VanDerWaalsContact NH2-CA 3.31Å; R259-Y308 PolarHBondContact NH2-O 3.37Å; V261-Y308 HydrophobicContact CB-CE2 4.29Å; V261-Y308 HydrophobicContact CG1-CD2 4Å; V261-Y308 HydrophobicContact CG1-CE2 3.44Å; V261-Y308 VanDerWaalsContact CG1-CE2 3.44Å; V261-Y308 HydrophobicContact CG2-CD1 3.93Å; V261-Y308 HydrophobicContact CG2-CD2 4.06Å; V261-Y308 HydrophobicContact CG2-CE1 3.76Å; V261-Y308 HydrophobicContact CG2-CE2 3.97Å; V261-Y308 HydrophobicContact CG2-CG 4.01Å; F263-Y308 HydrophobicContact CE2-CD2 4.32Å; F263-Y308 HydrophobicContact CE2-CE2 4.37Å; F263-Y308 HydrophobicContact CZ-CD2 4.31Å; F263-Y308 HydrophobicContact CZ-CE2 4.41Å; D288-Y308 WeakPolarHBondContact CB-OH 3.23Å; D288-Y308 VanDerWaalsContact OD2-CE1 3.29Å; D288-Y308 WeakPolarHBondContact OD2-CE1 3.22Å; D288-Y308 PolarHBondContact OD2-OH 2.96Å; R290-Y308 VanDerWaalsContact CD-OH 3.28Å; R290-Y308 WeakPolarHBondContact CD-OH 3.34Å; R290-Y308 HydrophobicContact CG-CE2 3.9Å; R290-Y308 WeakPolarHBondContact CG-OH 3.43Å; R290-Y308 PolarHBondContact NH1-OH 2.88Å; I304-Y308 HydrophobicContact CG2-CD2 4.26Å; I304-Y308 HydrophobicContact CG2-CE2 3.87Å; I304-Y308 WeakPolarHBondContact O-CD2 3.46Å; L305-Y308 PolarHBondContact O-N 3.34Å; L305-Y308 VanDerWaalsContact O-N 3.09Å; A306-Y308 PolarHBondContact O-N 3.22Å; Y308-F317 HydrophobicContact CD2-CE1 4.13Å; Y308-F317 HydrophobicContact CG-CE1 4.31Å |
| 309 | E | 96.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -79.8 | -30 | 170 | -67.1 | -173.1 | 132.1 | 0 | 0 | 111.7 | L305 A306 D311 T335 Y337 | L305-E309 PolarHBondContact O-N 2.99Å; L305-E309 VanDerWaalsContact O-N 3.14Å; A306-E309 PolarHBondContact O-N 2.66Å; E309-D311 PolarHBondContact O-N 2.83Å; E309-T335 WeakPolarHBondContact OE1-CA 3.3Å; E309-T335 WeakPolarHBondContact OE1-CB 3.36Å; E309-T335 PolarHBondContact OE1-OG1 2.94Å; E309-Y337 HydrophobicContact CG-CD2 4.36Å; E309-Y337 HydrophobicContact CG-CE2 4.17Å |
| 310 | G | 96.6 | Very high | 97.3 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 63% | 0.629 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -73.6 | -22.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A306 E307 | A306-G310 PolarHBondContact O-N 3.12Å; E307-G310 PolarHBondContact O-N 3.08Å |
| 311 | D | 94.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 40% | 0.401 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.4 | -178.8 | 70.5 | 10.4 | 0 | 0 | 0 | 114.3 | R259 E309 V313 | R259-D311 IonicContact CZ-OD1 3.91Å; R259-D311 IonicContact CZ-OD2 2.92Å; R259-D311 VanDerWaalsContact CZ-OD2 3.24Å; R259-D311 IonicContact NH1-OD1 3.64Å; R259-D311 IonicContact NH1-OD2 2.76Å; R259-D311 PolarHBondContact NH1-OD2 3.36Å; R259-D311 IonicContact NH2-OD1 3.74Å; R259-D311 PolarHBondContact NH2-OD1 3.09Å; R259-D311 IonicContact NH2-OD2 3.73Å; R259-D311 PolarHBondContact NH2-OD2 3.13Å; E309-D311 PolarHBondContact O-N 2.83Å; D311-V313 PolarHBondContact O-N 3.04Å; D311-V313 PolarHBondContact OD1-N 3.36Å; D311-V313 VanDerWaalsContact OD1-N 3.08Å |
| 312 | L | 90.3 | Very high | 96.9 | Very high | 142 Ų | 142 | 40.7 Ų | 40.7 | 74% | 0.743 | 24% | 0.241 | S | C | * | . | trans | 60.9 | 18.4 | 177.2 | -52.6 | 179.6 | 0 | 0 | 0 | 115.2 | P314 | L312-P314 WeakPolarHBondContact O-CD 3.47Š| ||
| 313 | V | 94.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | trans | -81.1 | 121.9 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | R259 D311 T315 | R259-V313 HydrophobicContact CG-CG1 4.16Å; D311-V313 PolarHBondContact O-N 3.04Å; D311-V313 PolarHBondContact OD1-N 3.36Å; D311-V313 VanDerWaalsContact OD1-N 3.08Å; V313-T315 PolarHBondContact O-N 3.24Å; V313-T315 PolarHBondContact O-OG1 3.01Å | ||
| 314 | P | 95.5 | Very high | 96.4 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | trans | -47.3 | 116.5 | 172.2 | -29.5 | 33 | 0 | 0 | 0 | 112.2 | R257 S258 R259 L312 | R257-P314 VanDerWaalsContact O-CD 3.27Å; R257-P314 WeakPolarHBondContact O-CD 3.3Å; S258-P314 VanDerWaalsContact CA-O 3.29Å; S258-P314 WeakPolarHBondContact CA-O 3.34Å; R259-P314 PolarHBondContact N-O 3.32Å; L312-P314 WeakPolarHBondContact O-CD 3.47Å | ||
| 315 | T | 97.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137 | -170.6 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | R259 V261 V313 F317 | R259-T315 HydrophobicContact CG-CG2 4.06Å; R259-T315 WeakPolarHBondContact CG-OG1 3.45Å; R259-T315 PolarHBondContact NE-OG1 3.15Å; R259-T315 PolarHBondContact NH2-OG1 2.76Å; R259-T315 WeakPolarHBondContact O-CA 3.48Å; V261-T315 HydrophobicContact CB-CG2 4.4Å; V261-T315 HydrophobicContact CG2-CG2 3.74Å; V313-T315 PolarHBondContact O-N 3.24Å; V313-T315 PolarHBondContact O-OG1 3.01Å; T315-F317 HydrophobicContact CG2-CD1 4.01Å; T315-F317 HydrophobicContact CG2-CE1 3.53Å; T315-F317 HydrophobicContact CG2-CE2 4.17Å; T315-F317 HydrophobicContact CG2-CG 4.48Å; T315-F317 HydrophobicContact CG2-CZ 3.62Å |
| 316 | V | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.9 | 164.5 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | R259 V260 V261 P338 I340 A379 V382 L383 | R259-V316 PolarHBondContact O-N 3.06Å; R259-V316 VanDerWaalsContact O-N 3.12Å; V260-V316 CarbonylContact C-O 3.6Å; V260-V316 VanDerWaalsContact CA-O 3.28Å; V260-V316 WeakPolarHBondContact CA-O 3.32Å; V260-V316 HydrophobicContact CG2-CB 4.36Å; V261-V316 PolarHBondContact N-O 3.27Å; V316-P338 HydrophobicContact CG1-CB 4.4Å; V316-P338 HydrophobicContact CG2-CB 4.43Å; V316-P338 HydrophobicContact CG2-CG 4.44Å; V316-I340 HydrophobicContact CG1-CD1 3.62Å; V316-I340 HydrophobicContact CG1-CG1 4.22Å; V316-A379 HydrophobicContact CB-CB 4.26Å; V316-A379 HydrophobicContact CG1-CB 3.78Å; V316-V382 HydrophobicContact CG2-CB 4.13Å; V316-V382 HydrophobicContact CG2-CG1 3.73Å; V316-L383 HydrophobicContact CG2-CD2 3.84Å; V316-L383 HydrophobicContact CG2-CG 4.07Å |
| 317 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.6 | 177.3 | -62.3 | -68.6 | 0 | 0 | 0 | 110.8 | V261 F263 L305 Y308 T315 T335 Y337 P338 V339 I340 | V261-F317 HydrophobicContact CB-CD1 3.78Å; V261-F317 HydrophobicContact CB-CE1 3.93Å; V261-F317 HydrophobicContact CG1-CD1 4.38Å; V261-F317 HydrophobicContact CG1-CE1 4.46Å; V261-F317 HydrophobicContact CG2-CD1 4.42Å; V261-F317 HydrophobicContact CG2-CE1 4.11Å; V261-F317 WeakPolarHBondContact O-CA 3.33Å; F263-F317 HydrophobicContact CD2-CD1 4.08Å; F263-F317 AromaticContact CE2-CD1 3.62Å; F263-F317 HydrophobicContact CE2-CD1 3.62Å; F263-F317 AromaticContact CE2-CE1 3.85Å; F263-F317 HydrophobicContact CE2-CE1 3.85Å; L305-F317 HydrophobicContact CD1-CD1 4.43Å; L305-F317 HydrophobicContact CD1-CD2 4Å; L305-F317 HydrophobicContact CD1-CE1 3.93Å; L305-F317 HydrophobicContact CD1-CE2 3.39Å; L305-F317 HydrophobicContact CD1-CG 4.49Å; L305-F317 HydrophobicContact CD1-CZ 3.38Å; Y308-F317 HydrophobicContact CD2-CE1 4.13Å; Y308-F317 HydrophobicContact CG-CE1 4.31Å; T315-F317 HydrophobicContact CG2-CD1 4.01Å; T315-F317 HydrophobicContact CG2-CE1 3.53Å; T315-F317 HydrophobicContact CG2-CE2 4.17Å; T315-F317 HydrophobicContact CG2-CG 4.48Å; T315-F317 HydrophobicContact CG2-CZ 3.62Å; F317-T335 HydrophobicContact CD2-CG2 4.03Å; F317-T335 HydrophobicContact CE2-CG2 4.2Å; F317-Y337 AromaticContact CE2-CD2 3.69Å; F317-Y337 HydrophobicContact CE2-CD2 3.69Å; F317-Y337 HydrophobicContact CE2-CG 4.22Å; F317-Y337 HydrophobicContact CZ-CD2 4.16Å; F317-P338 PolarHBondContact N-O 3.14Å; F317-V339 HydrophobicContact CB-CG2 4.21Å; F317-V339 HydrophobicContact CD2-CG2 4.44Å; F317-V339 CarbonylContact O-C 3.11Å; F317-V339 WeakPolarHBondContact O-CA 3.28Å; F317-I340 PolarHBondContact O-N 3.3Å |
| 318 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.1 | 169.9 | -56.8 | 177.6 | 0 | 0 | 0 | 108.3 | V260 V261 V262 F263 I276 V320 I340 C342 A375 A379 | V260-I318 HydrophobicContact CG1-CD1 3.62Å; V260-I318 HydrophobicContact CG1-CG1 3.85Å; V261-I318 PolarHBondContact O-N 2.78Å; V262-I318 CarbonylContact C-O 3.5Å; V262-I318 WeakPolarHBondContact CA-O 3.27Å; V262-I318 HydrophobicContact CG1-CB 4.45Å; V262-I318 HydrophobicContact CG2-CB 4.27Å; F263-I318 PolarHBondContact N-O 2.96Å; I276-I318 HydrophobicContact CD1-CG2 4.05Å; I276-I318 HydrophobicContact CG2-CD1 3.68Å; I318-V320 HydrophobicContact CG2-CG2 4.36Å; I318-I340 CarbonylContact C-O 3.52Å; I318-I340 VanDerWaalsContact CA-O 3.3Å; I318-I340 WeakPolarHBondContact CA-O 3.34Å; I318-I340 HydrophobicContact CG1-CB 4.25Å; I318-I340 HydrophobicContact CG1-CD1 4.22Å; I318-C342 HydrophobicContact CG2-CB 3.85Å; I318-A375 HydrophobicContact CD1-CB 4.42Å; I318-A379 HydrophobicContact CD1-CB 4.17Å |
| 319 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L327 G328 L331 I340 C342 | A319-L327 HydrophobicContact CB-CD2 4.42Å; A319-L327 HydrophobicContact CB-CG 4.14Å; A319-G328 VanDerWaalsContact CB-CA 3.44Å; A319-L331 HydrophobicContact CB-CD1 4.23Å; A319-I340 PolarHBondContact N-O 3.43Å; A319-C342 PolarHBondContact O-N 3.32Å |
| 320 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 106.1 | 173.1 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | V262 F263 M264 G265 D269 C272 I276 I318 | V262-V320 HydrophobicContact CG1-CG2 3.67Å; F263-V320 PolarHBondContact O-N 2.99Å; M264-V320 WeakPolarHBondContact CA-O 3.43Å; M264-V320 HydrophobicContact CG-CB 4.28Å; G265-V320 PolarHBondContact N-O 2.94Å; D269-V320 HydrophobicContact CB-CG1 4Å; C272-V320 HydrophobicContact CB-CG1 3.91Å; I276-V320 HydrophobicContact CD1-CG2 3.72Å; I318-V320 HydrophobicContact CG2-CG2 4.36Å |
| 321 | A | 95.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | trans | -145.5 | 122.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | N325 L327 | A321-N325 HydrophobicContact CB-CB 4.28Å; A321-L327 HydrophobicContact CB-CB 3.96Å; A321-L327 HydrophobicContact CB-CD2 4.23Å | ||
| 322 | G | 92.9 | Very high | 96.7 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | trans | -74.4 | 168.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 323 | R | 92.5 | Very high | 97.1 | Very high | 202 Ų | 202 | 29 Ų | 29 | 76% | 0.762 | 18% | 0.176 | S | C | * | . | S | Bend | trans | 60.4 | -138.6 | -178.9 | -52.2 | 179.9 | -177.9 | 175.1 | -1.6 | 111.3 | N325 D353 S356 | R323-N325 PolarHBondContact O-N 3.29Å; R323-D353 VanDerWaalsContact CA-CG 3.48Å; R323-D353 WeakPolarHBondContact CA-OD1 3.34Å; R323-S356 PolarHBondContact O-OG 3.28Å |
| 324 | S | 95 | Very high | 97.3 | Very high | 80 Ų | 80 | 30.8 Ų | 30.8 | 56% | 0.559 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -69.7 | 97.5 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | H295 G326 | H295-S324 PolarHBondContact CE1-O 2.83Å; H295-S324 VanDerWaalsContact CE1-O 3.29Å; S324-G326 PolarHBondContact O-N 3.06Å |
| 325 | N | 96.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -68.7 | 93.2 | 178.4 | 176.7 | 13.6 | 0 | 0 | 0 | 111.3 | A321 R323 L327 G328 P329 N341 S356 S357 | A321-N325 HydrophobicContact CB-CB 4.28Å; R323-N325 PolarHBondContact O-N 3.29Å; N325-L327 PolarHBondContact OD1-N 3.34Å; N325-L327 VanDerWaalsContact OD1-N 3.1Å; N325-G328 PolarHBondContact OD1-N 2.94Å; N325-P329 VanDerWaalsContact O-CD 3.26Å; N325-P329 WeakPolarHBondContact O-CD 3.15Å; N325-P329 WeakPolarHBondContact O-CG 3.48Å; N325-N341 PolarHBondContact ND2-OD1 3.2Å; N325-N341 VanDerWaalsContact ND2-OD1 3.09Å; N325-S356 PolarHBondContact N-OG 3.45Å; N325-S357 PolarHBondContact ND2-OG 3.02Å | ||
| 326 | G | 97.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | trans | -88.2 | -14.1 | 167 | 0 | 0 | 0 | 0 | 0 | 113.7 | S324 I330 | S324-G326 PolarHBondContact O-N 3.06Å; G326-I330 WeakPolarHBondContact O-CB 3.5Å; G326-I330 WeakPolarHBondContact O-CG1 3.39Å; G326-I330 PolarHBondContact O-N 3.35Å; G326-I330 VanDerWaalsContact O-N 3.13Å | ||
| 327 | L | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -54.2 | -174.4 | 178.3 | 58.8 | 0 | 0 | 0 | 111.9 | F263 A294 T301 A319 A321 N325 I330 L331 | F263-L327 HydrophobicContact CB-CD1 4.31Å; F263-L327 HydrophobicContact CB-CD2 3.94Å; F263-L327 HydrophobicContact CB-CG 4.34Å; F263-L327 HydrophobicContact CD1-CD1 4.42Å; F263-L327 WeakPolarHBondContact O-CD2 3.25Å; A294-L327 HydrophobicContact CB-CB 4.37Å; A294-L327 HydrophobicContact CB-CD1 4.36Å; T301-L327 HydrophobicContact CG2-CD1 3.87Å; A319-L327 HydrophobicContact CB-CD2 4.42Å; A319-L327 HydrophobicContact CB-CG 4.14Å; A321-L327 HydrophobicContact CB-CB 3.96Å; A321-L327 HydrophobicContact CB-CD2 4.23Å; N325-L327 PolarHBondContact OD1-N 3.34Å; N325-L327 VanDerWaalsContact OD1-N 3.1Å; L327-I330 PolarHBondContact O-N 3.4Å; L327-L331 HydrophobicContact CD1-CD1 4.12Å; L327-L331 HydrophobicContact CD1-CG 4.24Å; L327-L331 HydrophobicContact CG-CD1 4.23Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 3.02Å |
| 328 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | A319 N325 I330 L331 S332 N341 | A319-G328 VanDerWaalsContact CB-CA 3.44Å; N325-G328 PolarHBondContact OD1-N 2.94Å; G328-I330 VanDerWaalsContact C-N 3.34Å; G328-I330 PolarHBondContact O-N 3.43Å; G328-L331 PolarHBondContact O-N 3.18Å; G328-S332 WeakPolarHBondContact O-CB 3.5Å; G328-S332 PolarHBondContact O-N 3.24Å; G328-N341 VanDerWaalsContact CA-OD1 3.25Å; G328-N341 WeakPolarHBondContact CA-OD1 3.36Å |
| 329 | P | 98.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 174.2 | -25.6 | 33.5 | 0 | 0 | 0 | 113.4 | N325 S332 G333 M360 | N325-P329 VanDerWaalsContact O-CD 3.26Å; N325-P329 WeakPolarHBondContact O-CD 3.15Å; N325-P329 WeakPolarHBondContact O-CG 3.48Å; P329-S332 PolarHBondContact O-N 3.5Å; P329-G333 PolarHBondContact O-N 3.41Å; P329-M360 HydrophobicContact CB-SD 3.93Å; P329-M360 HydrophobicContact CG-CE 4.06Å; P329-M360 HydrophobicContact CG-SD 3.59Å; P329-M360 VanDerWaalsContact CG-SD 3.59Å |
| 330 | I | 98.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 177.3 | -74.2 | -69.2 | 0 | 0 | 0 | 111.2 | A294 L302 G326 L327 G328 G333 N334 | A294-I330 HydrophobicContact CB-CB 4.04Å; A294-I330 HydrophobicContact CB-CG1 3.93Å; A294-I330 HydrophobicContact CB-CG2 4.34Å; L302-I330 HydrophobicContact CD2-CG2 4.2Å; G326-I330 WeakPolarHBondContact O-CB 3.5Å; G326-I330 WeakPolarHBondContact O-CG1 3.39Å; G326-I330 PolarHBondContact O-N 3.35Å; G326-I330 VanDerWaalsContact O-N 3.13Å; L327-I330 PolarHBondContact O-N 3.4Å; G328-I330 VanDerWaalsContact C-N 3.34Å; G328-I330 PolarHBondContact O-N 3.43Å; I330-G333 PolarHBondContact O-N 3.26Å; I330-N334 PolarHBondContact O-N 2.83Å; I330-N334 PolarHBondContact O-ND2 3.45Å |
| 331 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 175.1 | -65.6 | 174.5 | 0 | 0 | 0 | 110.3 | F263 T301 L305 A319 L327 G328 G333 N334 T335 V339 | F263-L331 HydrophobicContact CB-CD1 3.94Å; F263-L331 HydrophobicContact CD1-CD1 4.26Å; F263-L331 HydrophobicContact CD1-CD2 4.19Å; F263-L331 HydrophobicContact CD2-CD1 4.1Å; F263-L331 HydrophobicContact CE1-CD2 4.07Å; F263-L331 HydrophobicContact CG-CD1 3.86Å; F263-L331 HydrophobicContact CZ-CD2 4.25Å; T301-L331 HydrophobicContact CG2-CD2 4.03Å; L305-L331 HydrophobicContact CB-CD2 4.3Å; L305-L331 HydrophobicContact CD1-CD2 4.22Å; L305-L331 HydrophobicContact CD2-CD2 4.09Å; L305-L331 HydrophobicContact CG-CD2 4.45Å; A319-L331 HydrophobicContact CB-CD1 4.23Å; L327-L331 HydrophobicContact CD1-CD1 4.12Å; L327-L331 HydrophobicContact CD1-CG 4.24Å; L327-L331 HydrophobicContact CG-CD1 4.23Å; L327-L331 WeakPolarHBondContact O-CG 3.45Å; L327-L331 PolarHBondContact O-N 3.02Å; G328-L331 PolarHBondContact O-N 3.18Å; L331-G333 VanDerWaalsContact C-N 3.26Å; L331-G333 PolarHBondContact O-N 2.85Å; L331-N334 PolarHBondContact O-N 2.9Å; L331-T335 WeakPolarHBondContact O-CG2 3.28Å; L331-T335 PolarHBondContact O-N 3.23Å; L331-V339 HydrophobicContact CB-CG1 4.1Å; L331-V339 HydrophobicContact CB-CG2 4.13Å |
| 332 | S | 98.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.119 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -26.2 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 114.3 | G328 P329 N334 G365 C366 | G328-S332 WeakPolarHBondContact O-CB 3.5Å; G328-S332 PolarHBondContact O-N 3.24Å; P329-S332 PolarHBondContact O-N 3.5Å; S332-N334 VanDerWaalsContact C-N 3.33Å; S332-G365 PolarHBondContact OG-N 3.4Å; S332-C366 PolarHBondContact OG-N 2.85Å; S332-C366 VanDerWaalsContact OG-N 3.17Å |
| 333 | G | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -81.2 | -11.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P329 I330 L331 | P329-G333 PolarHBondContact O-N 3.41Å; I330-G333 PolarHBondContact O-N 3.26Å; L331-G333 VanDerWaalsContact C-N 3.26Å; L331-G333 PolarHBondContact O-N 2.85Å |
| 334 | N | 98.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 46% | 0.46 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -124.5 | -0.8 | -172.9 | -68.6 | -87.5 | 0 | 0 | 0 | 114.1 | L302 L305 I330 L331 S332 | L302-N334 HydrophobicContact CD2-CB 3.68Å; L305-N334 HydrophobicContact CD2-CB 4.12Å; I330-N334 PolarHBondContact O-N 2.83Å; I330-N334 PolarHBondContact O-ND2 3.45Å; L331-N334 PolarHBondContact O-N 2.9Å; S332-N334 VanDerWaalsContact C-N 3.33Å |
| 335 | T | 98 | Very high | 97.1 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | trans | -125.4 | 152.3 | 172.3 | -176 | 0 | 0 | 0 | 0 | 111.5 | L305 E309 F317 L331 Y337 V339 | L305-T335 HydrophobicContact CD1-CG2 4.27Å; E309-T335 WeakPolarHBondContact OE1-CA 3.3Å; E309-T335 WeakPolarHBondContact OE1-CB 3.36Å; E309-T335 PolarHBondContact OE1-OG1 2.94Å; F317-T335 HydrophobicContact CD2-CG2 4.03Å; F317-T335 HydrophobicContact CE2-CG2 4.2Å; L331-T335 WeakPolarHBondContact O-CG2 3.28Å; L331-T335 PolarHBondContact O-N 3.23Å; T335-Y337 VanDerWaalsContact C-N 3.33Å; T335-Y337 WeakPolarHBondContact OG1-CB 3.39Å; T335-Y337 PolarHBondContact OG1-N 3.26Å; T335-V339 HydrophobicContact CG2-CG2 3.66Å | ||
| 336 | S | 97 | Very high | 96.2 | Very high | 123 Ų | 123 | 36.4 Ų | 36.4 | 86% | 0.86 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -87.8 | -4 | 167.5 | -60 | 0 | 0 | 0 | 0 | 112.9 | ||
| 337 | Y | 97.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -84 | 155.1 | 178.1 | -66.3 | -11.4 | 0 | 0 | 0 | 112.1 | E309 F317 T335 V339 | E309-Y337 HydrophobicContact CG-CD2 4.36Å; E309-Y337 HydrophobicContact CG-CE2 4.17Å; F317-Y337 AromaticContact CE2-CD2 3.69Å; F317-Y337 HydrophobicContact CE2-CD2 3.69Å; F317-Y337 HydrophobicContact CE2-CG 4.22Å; F317-Y337 HydrophobicContact CZ-CD2 4.16Å; T335-Y337 VanDerWaalsContact C-N 3.33Å; T335-Y337 WeakPolarHBondContact OG1-CB 3.39Å; T335-Y337 PolarHBondContact OG1-N 3.26Å; Y337-V339 PolarHBondContact O-N 2.91Å |
| 338 | P | 98.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | trans | -62.7 | 135 | 179.8 | -23.4 | 36.4 | 0 | 0 | 0 | 112 | V316 F317 V382 | V316-P338 HydrophobicContact CG1-CB 4.4Å; V316-P338 HydrophobicContact CG2-CB 4.43Å; V316-P338 HydrophobicContact CG2-CG 4.44Å; F317-P338 PolarHBondContact N-O 3.14Å; P338-V382 HydrophobicContact CG-CG1 3.97Å | ||
| 339 | V | 98.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.4 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | F317 L331 T335 Y337 C366 V367 | F317-V339 HydrophobicContact CB-CG2 4.21Å; F317-V339 HydrophobicContact CD2-CG2 4.44Å; F317-V339 CarbonylContact O-C 3.11Å; F317-V339 WeakPolarHBondContact O-CA 3.28Å; L331-V339 HydrophobicContact CB-CG1 4.1Å; L331-V339 HydrophobicContact CB-CG2 4.13Å; T335-V339 HydrophobicContact CG2-CG2 3.66Å; Y337-V339 PolarHBondContact O-N 2.91Å; V339-C366 HydrophobicContact CB-CB 4.23Å; V339-C366 HydrophobicContact CG1-CB 4.31Å; V339-C366 WeakPolarHBondContact O-CA 3.36Å; V339-V367 PolarHBondContact O-N 3.15Å |
| 340 | I | 98.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.2 | -179.9 | -54.2 | 166.1 | 0 | 0 | 0 | 108.6 | V316 F317 I318 A319 V367 V369 A375 H378 A379 | V316-I340 HydrophobicContact CG1-CD1 3.62Å; V316-I340 HydrophobicContact CG1-CG1 4.22Å; F317-I340 PolarHBondContact O-N 3.3Å; I318-I340 CarbonylContact C-O 3.52Å; I318-I340 VanDerWaalsContact CA-O 3.3Å; I318-I340 WeakPolarHBondContact CA-O 3.34Å; I318-I340 HydrophobicContact CG1-CB 4.25Å; I318-I340 HydrophobicContact CG1-CD1 4.22Å; A319-I340 PolarHBondContact N-O 3.43Å; I340-V367 HydrophobicContact CB-CG2 4.24Å; I340-V367 HydrophobicContact CG1-CG2 3.87Å; I340-V367 HydrophobicContact CG2-CG2 4.22Å; I340-V369 HydrophobicContact CG2-CB 4.26Å; I340-V369 HydrophobicContact CG2-CG2 3.97Å; I340-A375 HydrophobicContact CG2-CB 4.37Å; I340-H378 HydrophobicContact CD1-CB 4.27Å; I340-A379 HydrophobicContact CD1-CB 3.83Å |
| 341 | N | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.7 | 167 | -62 | -41.6 | 0 | 0 | 0 | 109.5 | N325 G328 S357 C366 V367 T368 V369 | N325-N341 PolarHBondContact ND2-OD1 3.2Å; N325-N341 VanDerWaalsContact ND2-OD1 3.09Å; G328-N341 VanDerWaalsContact CA-OD1 3.25Å; G328-N341 WeakPolarHBondContact CA-OD1 3.36Å; N341-S357 PolarHBondContact ND2-O 3.38Å; N341-S357 VanDerWaalsContact ND2-O 3.16Å; N341-C366 PolarHBondContact ND2-SG 2.71Å; N341-C366 VanDerWaalsContact ND2-SG 3.38Å; N341-V367 WeakPolarHBondContact CB-O 3.29Å; N341-V367 PolarHBondContact N-O 2.89Å; N341-T368 HydrophobicContact CB-CG2 4.18Å; N341-T368 PolarHBondContact ND2-OG1 3.08Å; N341-T368 WeakPolarHBondContact O-CA 3.48Å; N341-V369 PolarHBondContact O-N 3.41Å |
| 342 | C | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -131.9 | 71 | 169.4 | -163.6 | 0 | 0 | 0 | 0 | 109.8 | I276 I318 A319 V369 Y372 A375 | I276-C342 HydrophobicContact CD1-CB 4.49Å; I318-C342 HydrophobicContact CG2-CB 3.85Å; A319-C342 PolarHBondContact O-N 3.32Å; C342-V369 VanDerWaalsContact CA-O 3.31Å; C342-V369 WeakPolarHBondContact CA-O 3.36Å; C342-V369 PolarHBondContact SG-O 2.97Å; C342-Y372 VanDerWaalsContact SG-CD1 3.55Å; C342-A375 HydrophobicContact CB-CB 3.86Å | ||
| 343 | P | 95.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | trans | -65.1 | 141.7 | -178.3 | 28.9 | -34.5 | 0 | 0 | 0 | 110.4 | L370 | P343-L370 HydrophobicContact CG-CD2 4.21Š| ||
| 344 | P | 92.4 | Very high | 92.2 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.071 | 32% | 0.323 | C | S | . | . | trans | -64 | 135.7 | 172.3 | 27.9 | -32.4 | 0 | 0 | 0 | 110.5 | E346 Y372 | P344-E346 HydrophobicContact CB-CG 4.32Å; P344-Y372 WeakPolarHBondContact CA-OH 3.42Å | ||
| 345 | V | 85.5 | Confident | 92.1 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | trans | -110.4 | 93.2 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | L370 | V345-L370 HydrophobicContact CG2-CB 4.5Š| ||
| 346 | E | 78 | Confident | 92 | Very high | 150 Ų | 150 | 60.4 Ų | 60.4 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | trans | -105 | -33.1 | -169.8 | -66.1 | -179.7 | -171.5 | 0 | 0 | 113.3 | P344 S350 | P344-E346 HydrophobicContact CB-CG 4.32Å; E346-S350 PolarHBondContact N-OG 2.99Å; E346-S350 VanDerWaalsContact N-OG 3.17Å | ||
| 347 | D | 79.1 | Confident | 92.1 | Very high | 97 Ų | 97 | 54.6 Ų | 54.6 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -155.8 | -170.7 | -169.3 | 68.1 | 14.2 | 0 | 0 | 0 | 113 | S349 S350 | D347-S349 PolarHBondContact O-N 2.99Å; D347-S349 WeakPolarHBondContact OD1-CA 3.3Å; D347-S349 VanDerWaalsContact OD1-CB 3.3Å; D347-S349 WeakPolarHBondContact OD1-CB 3.43Å; D347-S349 PolarHBondContact OD1-N 2.79Å; D347-S349 PolarHBondContact OD1-OG 2.74Å; D347-S350 PolarHBondContact N-OG 2.83Å; D347-S350 WeakPolarHBondContact O-CB 3.45Å; D347-S350 PolarHBondContact O-N 2.72Å; D347-S350 PolarHBondContact O-OG 3.4Å; D347-S350 VanDerWaalsContact O-OG 3.07Å; D347-S350 PolarHBondContact OD1-N 2.79Å |
| 348 | A | 78.9 | Confident | 92.1 | Very high | 88 Ų | 88 | 56 Ų | 56 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S350 M351 Q352 | A348-S350 PolarHBondContact O-N 3.03Å; A348-M351 PolarHBondContact O-N 3.21Å; A348-Q352 PolarHBondContact O-OE1 2.78Å |
| 349 | S | 83.4 | Confident | 92 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.8 | 177.7 | 88.5 | 0 | 0 | 0 | 0 | 112.3 | D347 M351 Q352 D353 | D347-S349 PolarHBondContact O-N 2.99Å; D347-S349 WeakPolarHBondContact OD1-CA 3.3Å; D347-S349 VanDerWaalsContact OD1-CB 3.3Å; D347-S349 WeakPolarHBondContact OD1-CB 3.43Å; D347-S349 PolarHBondContact OD1-N 2.79Å; D347-S349 PolarHBondContact OD1-OG 2.74Å; S349-M351 PolarHBondContact O-N 3.01Å; S349-M351 VanDerWaalsContact O-N 3.1Å; S349-Q352 VanDerWaalsContact CA-OE1 3.25Å; S349-Q352 PolarHBondContact O-N 2.9Å; S349-Q352 PolarHBondContact O-OE1 3.02Å; S349-D353 PolarHBondContact O-N 3.04Å; S349-D353 PolarHBondContact OG-OD2 3.42Å |
| 350 | S | 85.6 | Confident | 92 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.8 | -26.5 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | E346 D347 A348 Q352 V354 | E346-S350 PolarHBondContact N-OG 2.99Å; E346-S350 VanDerWaalsContact N-OG 3.17Å; D347-S350 PolarHBondContact N-OG 2.83Å; D347-S350 WeakPolarHBondContact O-CB 3.45Å; D347-S350 PolarHBondContact O-N 2.72Å; D347-S350 PolarHBondContact O-OG 3.4Å; D347-S350 VanDerWaalsContact O-OG 3.07Å; D347-S350 PolarHBondContact OD1-N 2.79Å; A348-S350 PolarHBondContact O-N 3.03Å; S350-Q352 VanDerWaalsContact C-N 3.35Å; S350-V354 WeakPolarHBondContact O-CB 3.29Å; S350-V354 PolarHBondContact O-N 2.88Å |
| 351 | M | 89.2 | Confident | 91.9 | Very high | 148 Ų | 148 | 68.9 Ų | 68.9 | 73% | 0.729 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -67 | -31.8 | 172.7 | -86.2 | -167.8 | 71.8 | 0 | 0 | 113.5 | A348 S349 V354 | A348-M351 PolarHBondContact O-N 3.21Å; S349-M351 PolarHBondContact O-N 3.01Å; S349-M351 VanDerWaalsContact O-N 3.1Å; M351-V354 WeakPolarHBondContact O-CG1 3.27Å |
| 352 | Q | 94.4 | Very high | 91.8 | Very high | 127 Ų | 127 | 74.7 Ų | 74.7 | 59% | 0.593 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -82.8 | -42.4 | 173.8 | -66.7 | 79.6 | 18.5 | 0 | 0 | 110.5 | A348 S349 S350 V354 W355 | A348-Q352 PolarHBondContact O-OE1 2.78Å; S349-Q352 VanDerWaalsContact CA-OE1 3.25Å; S349-Q352 PolarHBondContact O-N 2.9Å; S349-Q352 PolarHBondContact O-OE1 3.02Å; S350-Q352 VanDerWaalsContact C-N 3.35Å; Q352-V354 VanDerWaalsContact C-N 3.33Å; Q352-V354 PolarHBondContact O-N 3.16Å; Q352-W355 PolarHBondContact O-N 3Å |
| 353 | D | 94.5 | Very high | 91.7 | Very high | 38 Ų | 38 | 78.7 Ų | 78.7 | 20% | 0.203 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.2 | -35.1 | -175 | -67 | -37.1 | 0 | 0 | 0 | 112.8 | R323 S349 W355 S356 | R323-D353 VanDerWaalsContact CA-CG 3.48Å; R323-D353 WeakPolarHBondContact CA-OD1 3.34Å; S349-D353 PolarHBondContact O-N 3.04Å; S349-D353 PolarHBondContact OG-OD2 3.42Å; D353-W355 PolarHBondContact O-N 2.72Å; D353-W355 VanDerWaalsContact O-N 3.09Å; D353-S356 VanDerWaalsContact O-CB 3.31Å; D353-S356 WeakPolarHBondContact O-CB 3.28Å; D353-S356 PolarHBondContact O-N 2.92Å; D353-S356 PolarHBondContact O-OG 2.73Å |
| 354 | V | 95.7 | Very high | 91.8 | Very high | 25 Ų | 25 | 80.5 Ų | 80.5 | 15% | 0.152 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.4 | 180 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | S350 M351 Q352 S356 S357 L358 L370 | S350-V354 WeakPolarHBondContact O-CB 3.29Å; S350-V354 PolarHBondContact O-N 2.88Å; M351-V354 WeakPolarHBondContact O-CG1 3.27Å; Q352-V354 VanDerWaalsContact C-N 3.33Å; Q352-V354 PolarHBondContact O-N 3.16Å; V354-S356 PolarHBondContact O-N 3.45Å; V354-S357 WeakPolarHBondContact O-CB 3.41Å; V354-S357 PolarHBondContact O-N 2.95Å; V354-L358 HydrophobicContact CG1-CD1 4.31Å; V354-L358 HydrophobicContact CG2-CD1 3.85Å; V354-L358 HydrophobicContact CG2-CG 4.14Å; V354-L358 WeakPolarHBondContact O-CG 3.29Å; V354-L358 PolarHBondContact O-N 3.31Å; V354-L358 VanDerWaalsContact O-N 3.12Å; V354-L370 HydrophobicContact CG2-CD2 3.66Å |
| 355 | W | 96.7 | Very high | 92 | Very high | 151 Ų | 151 | 83 Ų | 83 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.1 | -27.3 | 178.1 | -71.7 | 106.2 | 0 | 0 | 0 | 112.9 | Q352 D353 S357 L358 R359 | Q352-W355 PolarHBondContact O-N 3Å; D353-W355 PolarHBondContact O-N 2.72Å; D353-W355 VanDerWaalsContact O-N 3.09Å; W355-S357 PolarHBondContact O-N 2.91Å; W355-L358 HydrophobicContact CE3-CB 4.38Å; W355-L358 HydrophobicContact CE3-CD1 4.38Å; W355-L358 PolarHBondContact O-N 3.44Å; W355-R359 HydrophobicContact CE3-CG 3.83Å; W355-R359 HydrophobicContact CZ3-CG 4.11Å; W355-R359 PolarHBondContact O-N 3.26Å |
| 356 | S | 96.7 | Very high | 92.6 | Very high | 28 Ų | 28 | 79.7 Ų | 79.7 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.6 | -18.2 | 173.2 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | R323 N325 D353 V354 M360 | R323-S356 PolarHBondContact O-OG 3.28Å; N325-S356 PolarHBondContact N-OG 3.45Å; D353-S356 VanDerWaalsContact O-CB 3.31Å; D353-S356 WeakPolarHBondContact O-CB 3.28Å; D353-S356 PolarHBondContact O-N 2.92Å; D353-S356 PolarHBondContact O-OG 2.73Å; V354-S356 PolarHBondContact O-N 3.45Å; S356-M360 WeakPolarHBondContact O-CE 3.22Å |
| 357 | S | 97.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.007 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -98.4 | -24.7 | 174.3 | -60.2 | 0 | 0 | 0 | 0 | 113 | N325 N341 V354 W355 M360 T368 | N325-S357 PolarHBondContact ND2-OG 3.02Å; N341-S357 PolarHBondContact ND2-O 3.38Å; N341-S357 VanDerWaalsContact ND2-O 3.16Å; V354-S357 WeakPolarHBondContact O-CB 3.41Å; V354-S357 PolarHBondContact O-N 2.95Å; W355-S357 PolarHBondContact O-N 2.91Å; S357-M360 VanDerWaalsContact C-CE 3.41Å; S357-M360 WeakPolarHBondContact O-CE 3.48Å; S357-T368 WeakPolarHBondContact CB-OG1 3.36Å; S357-T368 PolarHBondContact O-OG1 2.82Å |
| 358 | L | 97.6 | Very high | 94.4 | Very high | 91 Ų | 91 | 72.6 Ų | 72.6 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -91.4 | -42.6 | -174.6 | -68.9 | 172.2 | 0 | 0 | 0 | 114.3 | V354 W355 M360 T368 | V354-L358 HydrophobicContact CG1-CD1 4.31Å; V354-L358 HydrophobicContact CG2-CD1 3.85Å; V354-L358 HydrophobicContact CG2-CG 4.14Å; V354-L358 WeakPolarHBondContact O-CG 3.29Å; V354-L358 PolarHBondContact O-N 3.31Å; V354-L358 VanDerWaalsContact O-N 3.12Å; W355-L358 HydrophobicContact CE3-CB 4.38Å; W355-L358 HydrophobicContact CE3-CD1 4.38Å; W355-L358 PolarHBondContact O-N 3.44Å; L358-M360 PolarHBondContact O-N 3.14Å; L358-T368 HydrophobicContact CD2-CG2 4.21Å |
| 359 | R | 97.5 | Very high | 95.3 | Very high | 195 Ų | 195 | 69.6 Ų | 69.6 | 74% | 0.736 | 40% | 0.401 | S | S | * | . | trans | -98.2 | 93.9 | -173.7 | -77.2 | -174.2 | 65.4 | 87.4 | 6.5 | 111.2 | W355 | W355-R359 HydrophobicContact CE3-CG 3.83Å; W355-R359 HydrophobicContact CZ3-CG 4.11Å; W355-R359 PolarHBondContact O-N 3.26Å | ||
| 360 | M | 97.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 72 Ų | 72 | 24% | 0.236 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 154.1 | -178.7 | -62.4 | -57.7 | 107 | 0 | 0 | 113.4 | P329 S356 S357 L358 I364 C366 | P329-M360 HydrophobicContact CB-SD 3.93Å; P329-M360 HydrophobicContact CG-CE 4.06Å; P329-M360 HydrophobicContact CG-SD 3.59Å; P329-M360 VanDerWaalsContact CG-SD 3.59Å; S356-M360 WeakPolarHBondContact O-CE 3.22Å; S357-M360 VanDerWaalsContact C-CE 3.41Å; S357-M360 WeakPolarHBondContact O-CE 3.48Å; L358-M360 PolarHBondContact O-N 3.14Å; M360-I364 HydrophobicContact CB-CB 3.99Å; M360-I364 HydrophobicContact CB-CG2 4.13Å; M360-I364 HydrophobicContact CG-CB 4.4Å; M360-I364 HydrophobicContact CG-CG2 3.99Å; M360-I364 HydrophobicContact SD-CG2 4.13Å; M360-C366 VanDerWaalsContact SD-SG 3.63Å |
| 361 | P | 97.2 | Very high | 96.3 | Very high | 92 Ų | 92 | 75.3 Ų | 75.3 | 60% | 0.597 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 159.6 | 160.2 | -19.5 | 31.9 | 0 | 0 | 0 | 111.8 | ||
| 362 | S | 97.1 | Very high | 96.7 | Very high | 123 Ų | 123 | 70.3 Ų | 70.3 | 86% | 0.86 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 140.8 | 174.6 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 363 | G | 96 | Very high | 96.8 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 87% | 0.866 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -2.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 364 | I | 97.8 | Very high | 96.9 | Very high | 45 Ų | 45 | 68.5 Ų | 68.5 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | trans | -100.9 | 124.3 | 176.5 | -54.6 | -59.9 | 0 | 0 | 0 | 109.5 | M360 | M360-I364 HydrophobicContact CB-CB 3.99Å; M360-I364 HydrophobicContact CB-CG2 4.13Å; M360-I364 HydrophobicContact CG-CB 4.4Å; M360-I364 HydrophobicContact CG-CG2 3.99Å; M360-I364 HydrophobicContact SD-CG2 4.13Å | ||
| 365 | G | 96.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 67.3 Ų | 67.3 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | trans | -108.8 | 17.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S332 | S332-G365 PolarHBondContact OG-N 3.4Š| ||
| 366 | C | 97.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 60.1 Ų | 60.1 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | trans | -66.7 | 138.8 | 179.3 | 57.2 | 0 | 0 | 0 | 0 | 112 | S332 V339 N341 M360 | S332-C366 PolarHBondContact OG-N 2.85Å; S332-C366 VanDerWaalsContact OG-N 3.17Å; V339-C366 HydrophobicContact CB-CB 4.23Å; V339-C366 HydrophobicContact CG1-CB 4.31Å; V339-C366 WeakPolarHBondContact O-CA 3.36Å; N341-C366 PolarHBondContact ND2-SG 2.71Å; N341-C366 VanDerWaalsContact ND2-SG 3.38Å; M360-C366 VanDerWaalsContact SD-SG 3.63Å | ||
| 367 | V | 98.1 | Very high | 97.2 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 159.3 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | V339 I340 N341 | V339-V367 PolarHBondContact O-N 3.15Å; I340-V367 HydrophobicContact CB-CG2 4.24Å; I340-V367 HydrophobicContact CG1-CG2 3.87Å; I340-V367 HydrophobicContact CG2-CG2 4.22Å; N341-V367 WeakPolarHBondContact CB-O 3.29Å; N341-V367 PolarHBondContact N-O 2.89Å |
| 368 | T | 98.2 | Very high | 97.3 | Very high | 36 Ų | 36 | 64.8 Ų | 64.8 | 22% | 0.221 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.7 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | N341 S357 L358 L370 | N341-T368 HydrophobicContact CB-CG2 4.18Å; N341-T368 PolarHBondContact ND2-OG1 3.08Å; N341-T368 WeakPolarHBondContact O-CA 3.48Å; S357-T368 WeakPolarHBondContact CB-OG1 3.36Å; S357-T368 PolarHBondContact O-OG1 2.82Å; L358-T368 HydrophobicContact CD2-CG2 4.21Å; T368-L370 HydrophobicContact CG2-CD2 3.96Å |
| 369 | V | 97.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | trans | -132.7 | 123.8 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | I340 N341 C342 A374 A375 H378 | I340-V369 HydrophobicContact CG2-CB 4.26Å; I340-V369 HydrophobicContact CG2-CG2 3.97Å; N341-V369 PolarHBondContact O-N 3.41Å; C342-V369 VanDerWaalsContact CA-O 3.31Å; C342-V369 WeakPolarHBondContact CA-O 3.36Å; C342-V369 PolarHBondContact SG-O 2.97Å; V369-A374 HydrophobicContact CG1-CB 3.39Å; V369-A375 HydrophobicContact CB-CB 4.33Å; V369-A375 HydrophobicContact CG1-CB 4.35Å; V369-H378 HydrophobicContact CG2-CB 4.36Å | ||
| 370 | L | 94.7 | Very high | 97.3 | Very high | 96 Ų | 96 | 51.2 Ų | 51.2 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -87 | -11.9 | -170.4 | -56 | -178.5 | 0 | 0 | 0 | 114.7 | P343 V345 V354 T368 | P343-L370 HydrophobicContact CG-CD2 4.21Å; V345-L370 HydrophobicContact CG2-CB 4.5Å; V354-L370 HydrophobicContact CG2-CD2 3.66Å; T368-L370 HydrophobicContact CG2-CD2 3.96Å |
| 371 | N | 95 | Very high | 97.3 | Very high | 87 Ų | 87 | 53 Ų | 53 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -113.1 | 134.3 | -178.3 | 174.2 | -74.1 | 0 | 0 | 0 | 110 | E373 A374 A375 | N371-E373 PolarHBondContact O-N 3.38Å; N371-E373 WeakPolarHBondContact OD1-CA 3.48Å; N371-E373 VanDerWaalsContact OD1-CB 3.28Å; N371-E373 WeakPolarHBondContact OD1-CB 3.38Å; N371-E373 PolarHBondContact OD1-N 3.14Å; N371-A374 HydrophobicContact CB-CB 3.91Å; N371-A374 CarbonylContact O-C 3.6Å; N371-A374 WeakPolarHBondContact O-CB 3.36Å; N371-A374 PolarHBondContact O-N 2.87Å; N371-A374 VanDerWaalsContact O-N 3.15Å; N371-A374 PolarHBondContact OD1-N 2.97Å; N371-A375 PolarHBondContact O-N 3.07Å |
| 372 | Y | 97.1 | Very high | 97.3 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | -176.2 | -54.8 | -53 | 0 | 0 | 0 | 113.7 | C272 M275 I276 C342 P344 A375 A376 | C272-Y372 HydrophobicContact CB-CE1 3.83Å; C272-Y372 PolarHBondContact SG-OH 2.86Å; M275-Y372 HydrophobicContact CB-CD2 4.44Å; M275-Y372 HydrophobicContact CE-CD2 3.42Å; M275-Y372 VanDerWaalsContact CE-CD2 3.42Å; M275-Y372 HydrophobicContact CE-CE2 3.29Å; M275-Y372 HydrophobicContact CE-CG 4.36Å; M275-Y372 HydrophobicContact SD-CD2 3.96Å; M275-Y372 HydrophobicContact SD-CE2 4.32Å; I276-Y372 HydrophobicContact CD1-CD1 4.01Å; I276-Y372 HydrophobicContact CG1-CD1 4.01Å; I276-Y372 HydrophobicContact CG1-CG 4.23Å; C342-Y372 VanDerWaalsContact SG-CD1 3.55Å; P344-Y372 WeakPolarHBondContact CA-OH 3.42Å; Y372-A375 PolarHBondContact O-N 3.32Å; Y372-A376 PolarHBondContact O-N 3.29Å; Y372-A376 VanDerWaalsContact O-N 3.08Å |
| 373 | E | 97.2 | Very high | 97.3 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 173.6 | -178 | 177.9 | -163.3 | 0 | 0 | 110.3 | Y279 N371 A375 A376 L377 | Y279-E373 HydrophobicContact CD1-CB 3.99Å; Y279-E373 HydrophobicContact CD1-CG 3.7Å; Y279-E373 HydrophobicContact CD2-CB 3.86Å; Y279-E373 HydrophobicContact CD2-CG 4.41Å; Y279-E373 HydrophobicContact CE1-CB 3.85Å; Y279-E373 HydrophobicContact CE1-CG 3.81Å; Y279-E373 HydrophobicContact CE2-CB 3.73Å; Y279-E373 HydrophobicContact CG-CB 4.02Å; Y279-E373 HydrophobicContact CG-CG 4.05Å; N371-E373 PolarHBondContact O-N 3.38Å; N371-E373 WeakPolarHBondContact OD1-CA 3.48Å; N371-E373 VanDerWaalsContact OD1-CB 3.28Å; N371-E373 WeakPolarHBondContact OD1-CB 3.38Å; N371-E373 PolarHBondContact OD1-N 3.14Å; E373-A375 VanDerWaalsContact C-N 3.31Å; E373-A375 PolarHBondContact O-N 2.87Å; E373-A376 WeakPolarHBondContact O-CB 3.33Å; E373-A376 PolarHBondContact O-N 2.79Å; E373-L377 HydrophobicContact CG-CD1 3.99Å; E373-L377 HydrophobicContact CG-CG 4.37Å; E373-L377 WeakPolarHBondContact O-CB 3.4Å; E373-L377 VanDerWaalsContact O-CG 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.48Å; E373-L377 PolarHBondContact O-N 2.92Å |
| 374 | A | 97.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V369 N371 L377 H378 | V369-A374 HydrophobicContact CG1-CB 3.39Å; N371-A374 HydrophobicContact CB-CB 3.91Å; N371-A374 CarbonylContact O-C 3.6Å; N371-A374 WeakPolarHBondContact O-CB 3.36Å; N371-A374 PolarHBondContact O-N 2.87Å; N371-A374 VanDerWaalsContact O-N 3.15Å; N371-A374 PolarHBondContact OD1-N 2.97Å; A374-L377 PolarHBondContact O-N 2.79Å; A374-H378 WeakPolarHBondContact O-CB 3.41Å; A374-H378 PolarHBondContact O-N 2.88Å |
| 375 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I318 I340 C342 V369 N371 Y372 E373 H378 A379 | I318-A375 HydrophobicContact CD1-CB 4.42Å; I340-A375 HydrophobicContact CG2-CB 4.37Å; C342-A375 HydrophobicContact CB-CB 3.86Å; V369-A375 HydrophobicContact CB-CB 4.33Å; V369-A375 HydrophobicContact CG1-CB 4.35Å; N371-A375 PolarHBondContact O-N 3.07Å; Y372-A375 PolarHBondContact O-N 3.32Å; E373-A375 VanDerWaalsContact C-N 3.31Å; E373-A375 PolarHBondContact O-N 2.87Å; A375-H378 PolarHBondContact O-N 3.44Å; A375-A379 PolarHBondContact O-N 3.2Å |
| 376 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I276 L280 Y372 E373 A379 A380 | I276-A376 HydrophobicContact CG2-CB 4.34Å; L280-A376 HydrophobicContact CD2-CB 3.91Å; L280-A376 HydrophobicContact CG-CB 3.77Å; Y372-A376 PolarHBondContact O-N 3.29Å; Y372-A376 VanDerWaalsContact O-N 3.08Å; E373-A376 WeakPolarHBondContact O-CB 3.33Å; E373-A376 PolarHBondContact O-N 2.79Å; A376-A379 PolarHBondContact O-N 3.42Å; A376-A380 WeakPolarHBondContact O-CB 3.46Å; A376-A380 PolarHBondContact O-N 3.25Å |
| 377 | L | 98.1 | Very high | 96.8 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 176.3 | -72.6 | 170.5 | 0 | 0 | 0 | 112 | L283 E373 A374 A380 N381 L394 | L283-L377 HydrophobicContact CD1-CD2 4.02Å; E373-L377 HydrophobicContact CG-CD1 3.99Å; E373-L377 HydrophobicContact CG-CG 4.37Å; E373-L377 WeakPolarHBondContact O-CB 3.4Å; E373-L377 VanDerWaalsContact O-CG 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.48Å; E373-L377 PolarHBondContact O-N 2.92Å; A374-L377 PolarHBondContact O-N 2.79Å; L377-A380 PolarHBondContact O-N 3.1Å; L377-N381 WeakPolarHBondContact O-CB 3.44Å; L377-N381 PolarHBondContact O-N 2.82Å; L377-N381 PolarHBondContact O-ND2 3.41Å; L377-L394 HydrophobicContact CD2-CD2 3.69Å |
| 378 | H | 98.4 | Very high | 96.6 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 177 | -167.4 | 74.6 | 0 | 0 | 0 | 111 | I340 V369 A374 A375 A380 N381 V382 | I340-H378 HydrophobicContact CD1-CB 4.27Å; V369-H378 HydrophobicContact CG2-CB 4.36Å; A374-H378 WeakPolarHBondContact O-CB 3.41Å; A374-H378 PolarHBondContact O-N 2.88Å; A375-H378 PolarHBondContact O-N 3.44Å; H378-A380 VanDerWaalsContact C-N 3.32Å; H378-A380 PolarHBondContact O-N 2.96Å; H378-N381 PolarHBondContact O-N 3.12Å; H378-V382 WeakPolarHBondContact O-CG2 3.28Å; H378-V382 PolarHBondContact O-N 3.44Å; H378-V382 VanDerWaalsContact O-N 3.1Å |
| 379 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V260 L280 V316 I318 I340 A375 A376 N381 V382 L383 | V260-A379 HydrophobicContact CG2-CB 3.78Å; L280-A379 HydrophobicContact CD2-CB 4.43Å; V316-A379 HydrophobicContact CB-CB 4.26Å; V316-A379 HydrophobicContact CG1-CB 3.78Å; I318-A379 HydrophobicContact CD1-CB 4.17Å; I340-A379 HydrophobicContact CD1-CB 3.83Å; A375-A379 PolarHBondContact O-N 3.2Å; A376-A379 PolarHBondContact O-N 3.42Å; A379-N381 PolarHBondContact O-N 3.04Å; A379-V382 WeakPolarHBondContact O-CB 3.46Å; A379-V382 PolarHBondContact O-N 3.26Å; A379-L383 WeakPolarHBondContact O-CG 3.4Å; A379-L383 PolarHBondContact O-N 3.05Å |
| 380 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L283 I285 A376 L377 H378 V382 L383 A384 V390 L394 | L283-A380 HydrophobicContact CD1-CB 3.54Å; I285-A380 HydrophobicContact CD1-CB 3.45Å; I285-A380 VanDerWaalsContact CD1-CB 3.45Å; A376-A380 WeakPolarHBondContact O-CB 3.46Å; A376-A380 PolarHBondContact O-N 3.25Å; L377-A380 PolarHBondContact O-N 3.1Å; H378-A380 VanDerWaalsContact C-N 3.32Å; H378-A380 PolarHBondContact O-N 2.96Å; A380-V382 VanDerWaalsContact C-N 3.3Å; A380-V382 PolarHBondContact O-N 3.46Å; A380-L383 PolarHBondContact O-N 3.32Å; A380-A384 WeakPolarHBondContact O-CB 3.33Å; A380-A384 PolarHBondContact O-N 2.99Å; A380-V390 HydrophobicContact CB-CG1 4.05Å; A380-V390 WeakPolarHBondContact O-CG1 3.48Å; A380-L394 HydrophobicContact CB-CD1 4.04Å; A380-L394 HydrophobicContact CB-CD2 4.08Å; A380-L394 HydrophobicContact CB-CG 4.37Å |
| 381 | N | 97.8 | Very high | 96.5 | Very high | 87 Ų | 87 | 46 Ų | 46 | 47% | 0.465 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 176.9 | -79.1 | -54.5 | 0 | 0 | 0 | 112.2 | L377 H378 A379 | L377-N381 WeakPolarHBondContact O-CB 3.44Å; L377-N381 PolarHBondContact O-N 2.82Å; L377-N381 PolarHBondContact O-ND2 3.41Å; H378-N381 PolarHBondContact O-N 3.12Å; A379-N381 PolarHBondContact O-N 3.04Å |
| 382 | V | 97.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 41.9 Ų | 41.9 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 174.5 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | V316 P338 H378 A379 A380 A384 L385 | V316-V382 HydrophobicContact CG2-CB 4.13Å; V316-V382 HydrophobicContact CG2-CG1 3.73Å; P338-V382 HydrophobicContact CG-CG1 3.97Å; H378-V382 WeakPolarHBondContact O-CG2 3.28Å; H378-V382 PolarHBondContact O-N 3.44Å; H378-V382 VanDerWaalsContact O-N 3.1Å; A379-V382 WeakPolarHBondContact O-CB 3.46Å; A379-V382 PolarHBondContact O-N 3.26Å; A380-V382 VanDerWaalsContact C-N 3.3Å; A380-V382 PolarHBondContact O-N 3.46Å; V382-A384 VanDerWaalsContact C-N 3.32Å; V382-A384 PolarHBondContact O-N 3.14Å; V382-L385 WeakPolarHBondContact O-CB 3.22Å; V382-L385 PolarHBondContact O-N 2.85Å |
| 383 | L | 96.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -35.1 | -179.6 | -63.6 | 178.6 | 0 | 0 | 0 | 112.6 | V260 I285 V316 A379 A380 L385 H386 D387 | V260-L383 HydrophobicContact CG2-CD1 4.03Å; I285-L383 HydrophobicContact CD1-CD1 4.32Å; I285-L383 HydrophobicContact CG2-CD1 3.86Å; V316-L383 HydrophobicContact CG2-CD2 3.84Å; V316-L383 HydrophobicContact CG2-CG 4.07Å; A379-L383 WeakPolarHBondContact O-CG 3.4Å; A379-L383 PolarHBondContact O-N 3.05Å; A380-L383 PolarHBondContact O-N 3.32Å; L383-L385 PolarHBondContact O-N 3.09Å; L383-H386 PolarHBondContact O-N 3.39Å; L383-D387 WeakPolarHBondContact O-CB 3.36Å; L383-D387 PolarHBondContact O-N 2.9Å |
| 384 | A | 95.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A380 V382 H386 V390 W391 L394 | A380-A384 WeakPolarHBondContact O-CB 3.33Å; A380-A384 PolarHBondContact O-N 2.99Å; V382-A384 VanDerWaalsContact C-N 3.32Å; V382-A384 PolarHBondContact O-N 3.14Å; A384-H386 PolarHBondContact O-N 2.72Å; A384-V390 HydrophobicContact CB-CG1 4.14Å; A384-W391 HydrophobicContact CB-CB 3.84Å; A384-W391 HydrophobicContact CB-CG 4.44Å; A384-L394 HydrophobicContact CB-CD1 3.74Å |
| 385 | L | 95.2 | Very high | 96.6 | Very high | 130 Ų | 130 | 37.4 Ų | 37.4 | 68% | 0.681 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27 | 172.6 | -65.4 | 177.7 | 0 | 0 | 0 | 112.3 | V382 L383 | V382-L385 WeakPolarHBondContact O-CB 3.22Å; V382-L385 PolarHBondContact O-N 2.85Å; L383-L385 PolarHBondContact O-N 3.09Å |
| 386 | H | 91.5 | Very high | 96.6 | Very high | 181 Ų | 181 | 37.4 Ų | 37.4 | 84% | 0.838 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | -4.3 | -178.6 | -60.1 | -68.3 | 0 | 0 | 0 | 113.7 | L383 A384 | L383-H386 PolarHBondContact O-N 3.39Å; A384-H386 PolarHBondContact O-N 2.72Å |
| 387 | D | 93.7 | Very high | 96.5 | Very high | 21 Ų | 21 | 40.2 Ų | 40.2 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | trans | -119.7 | 103 | 178.4 | -169.2 | -41.3 | 0 | 0 | 0 | 110.1 | L383 Y389 V390 W391 | L383-D387 WeakPolarHBondContact O-CB 3.36Å; L383-D387 PolarHBondContact O-N 2.9Å; D387-Y389 PolarHBondContact O-N 2.73Å; D387-Y389 WeakPolarHBondContact OD1-CA 3.39Å; D387-Y389 VanDerWaalsContact OD1-CB 3.31Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.2Å; D387-Y389 PolarHBondContact OD1-N 3.05Å; D387-V390 HydrophobicContact CB-CB 4.11Å; D387-V390 HydrophobicContact CB-CG2 4.08Å; D387-V390 PolarHBondContact O-N 3.19Å; D387-V390 PolarHBondContact OD1-N 2.89Å; D387-W391 WeakPolarHBondContact O-CB 3.3Å; D387-W391 PolarHBondContact O-N 3.45Å | ||
| 388 | H | 94.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 11% | 0.111 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.7 | -25.4 | -178.5 | 69.7 | -81 | 0 | 0 | 0 | 112.5 | Y60 R171 S175 F252 S392 | Y60-H388 PolarHBondContact OH-CD2 3.04Å; R171-H388 HydrophobicContact CB-CB 4.26Å; S175-H388 WeakPolarHBondContact CB-ND1 3.3Å; S175-H388 PolarHBondContact OG-CE1 3.42Å; F252-H388 PolarHBondContact O-NE2 2.89Å; H388-S392 VanDerWaalsContact O-CB 3.22Å; H388-S392 WeakPolarHBondContact O-CB 3.48Å; H388-S392 PolarHBondContact O-N 2.79Å; H388-S392 PolarHBondContact O-OG 3.07Å |
| 389 | Y | 95.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.8 | -48.3 | 178.2 | -170.3 | -91.9 | 0 | 0 | 0 | 110.2 | Y60 S63 L64 T253 D387 W391 S392 R393 | Y60-Y389 HydrophobicContact CD2-CE2 4.47Å; Y60-Y389 AromaticContact CE2-CD2 3.82Å; Y60-Y389 HydrophobicContact CE2-CD2 3.82Å; Y60-Y389 HydrophobicContact CE2-CE2 4.09Å; S63-Y389 WeakPolarHBondContact CB-OH 3.37Å; S63-Y389 PolarHBondContact O-OH 3.46Å; S63-Y389 WeakPolarHBondContact OG-CE2 3.12Å; S63-Y389 PolarHBondContact OG-OH 3.11Å; L64-Y389 HydrophobicContact CD2-CD1 4.38Å; L64-Y389 HydrophobicContact CD2-CD2 3.73Å; L64-Y389 HydrophobicContact CD2-CE1 4.21Å; L64-Y389 HydrophobicContact CD2-CE2 3.5Å; L64-Y389 HydrophobicContact CD2-CG 4.15Å; L64-Y389 HydrophobicContact CG-CE2 4.29Å; T253-Y389 HydrophobicContact CG2-CD2 4.19Å; T253-Y389 HydrophobicContact CG2-CE2 3.89Å; D387-Y389 PolarHBondContact O-N 2.73Å; D387-Y389 WeakPolarHBondContact OD1-CA 3.39Å; D387-Y389 VanDerWaalsContact OD1-CB 3.31Å; D387-Y389 WeakPolarHBondContact OD1-CB 3.2Å; D387-Y389 PolarHBondContact OD1-N 3.05Å; Y389-W391 PolarHBondContact O-N 3.08Å; Y389-S392 WeakPolarHBondContact O-CB 3.31Å; Y389-S392 PolarHBondContact O-N 3.46Å; Y389-R393 HydrophobicContact CE1-CG 4.23Å; Y389-R393 PolarHBondContact O-N 3.42Å; Y389-R393 PolarHBondContact OH-NE 2.92Å; Y389-R393 PolarHBondContact OH-NH2 2.85Å; Y389-R393 VanDerWaalsContact OH-NH2 3.15Å |
| 390 | V | 95.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.5 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | I285 A380 A384 D387 S392 R393 L394 | I285-V390 HydrophobicContact CD1-CG1 3.8Å; I285-V390 HydrophobicContact CD1-CG2 4.3Å; I285-V390 HydrophobicContact CG1-CG1 4.19Å; I285-V390 HydrophobicContact CG1-CG2 3.77Å; A380-V390 HydrophobicContact CB-CG1 4.05Å; A380-V390 WeakPolarHBondContact O-CG1 3.48Å; A384-V390 HydrophobicContact CB-CG1 4.14Å; D387-V390 HydrophobicContact CB-CB 4.11Å; D387-V390 HydrophobicContact CB-CG2 4.08Å; D387-V390 PolarHBondContact O-N 3.19Å; D387-V390 PolarHBondContact OD1-N 2.89Å; V390-S392 VanDerWaalsContact C-N 3.25Å; V390-S392 PolarHBondContact O-N 3.18Å; V390-R393 PolarHBondContact O-N 3.17Å; V390-L394 HydrophobicContact CG1-CD1 4.27Å; V390-L394 WeakPolarHBondContact O-CG 3.47Å; V390-L394 PolarHBondContact O-N 2.76Å |
| 391 | W | 96.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -44 | 174.7 | -173.9 | 95.5 | 0 | 0 | 0 | 111.7 | E167 I168 R171 A384 D387 Y389 L394 R395 | E167-W391 HydrophobicContact CB-CH2 3.96Å; E167-W391 HydrophobicContact CB-CZ3 4.37Å; I168-W391 HydrophobicContact CG1-CZ3 4.32Å; R171-W391 HydrophobicContact CG-CE3 4.45Å; R171-W391 HydrophobicContact CG-CZ3 4.49Å; R171-W391 VanDerWaalsContact CZ-NE1 3.27Å; R171-W391 VanDerWaalsContact NE-CD2 3.34Å; R171-W391 VanDerWaalsContact NE-CZ2 3.29Å; A384-W391 HydrophobicContact CB-CB 3.84Å; A384-W391 HydrophobicContact CB-CG 4.44Å; D387-W391 WeakPolarHBondContact O-CB 3.3Å; D387-W391 PolarHBondContact O-N 3.45Å; Y389-W391 PolarHBondContact O-N 3.08Å; W391-L394 WeakPolarHBondContact O-CB 3.41Å; W391-L394 PolarHBondContact O-N 2.79Å; W391-R395 HydrophobicContact CE3-CB 3.99Å; W391-R395 HydrophobicContact CH2-CB 3.9Å; W391-R395 HydrophobicContact CH2-CG 3.78Å; W391-R395 HydrophobicContact CZ2-CB 4.47Å; W391-R395 HydrophobicContact CZ3-CB 3.64Å; W391-R395 HydrophobicContact CZ3-CG 3.84Å; W391-R395 PolarHBondContact O-N 3.45Å |
| 392 | S | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | -178.3 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | Y60 H388 Y389 V390 L394 R395 V396 | Y60-S392 PolarHBondContact OH-OG 3.29Å; H388-S392 VanDerWaalsContact O-CB 3.22Å; H388-S392 WeakPolarHBondContact O-CB 3.48Å; H388-S392 PolarHBondContact O-N 2.79Å; H388-S392 PolarHBondContact O-OG 3.07Å; Y389-S392 WeakPolarHBondContact O-CB 3.31Å; Y389-S392 PolarHBondContact O-N 3.46Å; V390-S392 VanDerWaalsContact C-N 3.25Å; V390-S392 PolarHBondContact O-N 3.18Å; S392-L394 PolarHBondContact O-N 2.86Å; S392-R395 PolarHBondContact O-N 2.88Å; S392-R395 VanDerWaalsContact O-N 3.15Å; S392-V396 WeakPolarHBondContact O-CG2 3.48Å; S392-V396 PolarHBondContact O-N 2.92Å |
| 393 | R | 96.1 | Very high | 95.8 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 18% | 0.177 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.1 | -75.1 | -166.3 | 163.7 | -165.3 | 7.7 | 112.6 | S63 L64 K282 L283 G284 Y389 V390 R395 V396 N397 | S63-R393 PolarHBondContact O-NE 3.31Å; S63-R393 PolarHBondContact O-NH2 2.81Å; L64-R393 HydrophobicContact CB-CG 4.36Å; L64-R393 HydrophobicContact CD2-CG 3.66Å; K282-R393 PolarHBondContact O-NH1 3.5Å; L283-R393 VanDerWaalsContact C-CD 3.46Å; L283-R393 HydrophobicContact CD2-CB 4.26Å; L283-R393 VanDerWaalsContact O-CD 3.25Å; L283-R393 WeakPolarHBondContact O-CD 3.47Å; G284-R393 VanDerWaalsContact N-NH1 3.11Å; Y389-R393 HydrophobicContact CE1-CG 4.23Å; Y389-R393 PolarHBondContact O-N 3.42Å; Y389-R393 PolarHBondContact OH-NE 2.92Å; Y389-R393 PolarHBondContact OH-NH2 2.85Å; Y389-R393 VanDerWaalsContact OH-NH2 3.15Å; V390-R393 PolarHBondContact O-N 3.17Å; R393-R395 VanDerWaalsContact C-N 3.3Å; R393-R395 PolarHBondContact O-N 2.86Å; R393-V396 PolarHBondContact O-N 3.39Å; R393-N397 WeakPolarHBondContact O-CB 3.42Å; R393-N397 PolarHBondContact O-N 3.42Å |
| 394 | L | 97.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 173.4 | -70.3 | 168 | 0 | 0 | 0 | 112.2 | L283 L377 A380 A384 V390 W391 S392 R398 | L283-L394 HydrophobicContact CD1-CD2 4.22Å; L283-L394 HydrophobicContact CD2-CD2 4.06Å; L283-L394 HydrophobicContact CD2-CG 4.49Å; L377-L394 HydrophobicContact CD2-CD2 3.69Å; A380-L394 HydrophobicContact CB-CD1 4.04Å; A380-L394 HydrophobicContact CB-CD2 4.08Å; A380-L394 HydrophobicContact CB-CG 4.37Å; A384-L394 HydrophobicContact CB-CD1 3.74Å; V390-L394 HydrophobicContact CG1-CD1 4.27Å; V390-L394 WeakPolarHBondContact O-CG 3.47Å; V390-L394 PolarHBondContact O-N 2.76Å; W391-L394 WeakPolarHBondContact O-CB 3.41Å; W391-L394 PolarHBondContact O-N 2.79Å; S392-L394 PolarHBondContact O-N 2.86Å; L394-R398 WeakPolarHBondContact O-CG 3.48Å; L394-R398 PolarHBondContact O-N 3.03Å; L394-R398 VanDerWaalsContact O-N 3.15Å; L394-R398 PolarHBondContact O-NE 3.12Å |
| 395 | R | 98.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 176.1 | -177.1 | 58.7 | 177.4 | 109.3 | -7.6 | 112.3 | E160 T164 E167 I168 W391 S392 R393 R398 L399 | E160-R395 IonicContact OE1-CZ 2.86Å; E160-R395 IonicContact OE1-NH1 2.67Å; E160-R395 PolarHBondContact OE1-NH1 2.93Å; E160-R395 VanDerWaalsContact OE1-NH1 3.13Å; E160-R395 IonicContact OE1-NH2 3.97Å; E160-R395 PolarHBondContact OE1-NH2 2.9Å; T164-R395 HydrophobicContact CG2-CG 3.96Å; T164-R395 PolarHBondContact OG1-NH1 3Å; T164-R395 VanDerWaalsContact OG1-NH1 3.09Å; T164-R395 PolarHBondContact OG1-NH2 2.91Å; E167-R395 IonicContact OE2-CZ 2.86Å; E167-R395 VanDerWaalsContact OE2-CZ 3.26Å; E167-R395 IonicContact OE2-NE 3.13Å; E167-R395 PolarHBondContact OE2-NE 3.21Å; E167-R395 IonicContact OE2-NH2 3.86Å; E167-R395 PolarHBondContact OE2-NH2 3.47Å; I168-R395 HydrophobicContact CG1-CB 4.43Å; I168-R395 HydrophobicContact CG1-CG 4.31Å; W391-R395 HydrophobicContact CE3-CB 3.99Å; W391-R395 HydrophobicContact CH2-CB 3.9Å; W391-R395 HydrophobicContact CH2-CG 3.78Å; W391-R395 HydrophobicContact CZ2-CB 4.47Å; W391-R395 HydrophobicContact CZ3-CB 3.64Å; W391-R395 HydrophobicContact CZ3-CG 3.84Å; W391-R395 PolarHBondContact O-N 3.45Å; S392-R395 PolarHBondContact O-N 2.88Å; S392-R395 VanDerWaalsContact O-N 3.15Å; R393-R395 VanDerWaalsContact C-N 3.3Å; R393-R395 PolarHBondContact O-N 2.86Å; R395-R398 PolarHBondContact O-N 3.34Å; R395-L399 PolarHBondContact O-N 2.98Å; R395-L399 VanDerWaalsContact O-N 3.1Å |
| 396 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.2 | 174 | 0 | 0 | 0 | 0 | 110.6 | L64 L66 I168 S392 R393 R398 L399 L400 | L64-V396 HydrophobicContact CB-CG2 4Å; L66-V396 HydrophobicContact CB-CG1 4.28Å; L66-V396 HydrophobicContact CB-CG2 4.07Å; I168-V396 HydrophobicContact CD1-CG2 3.45Å; I168-V396 VanDerWaalsContact CD1-CG2 3.45Å; S392-V396 WeakPolarHBondContact O-CG2 3.48Å; S392-V396 PolarHBondContact O-N 2.92Å; R393-V396 PolarHBondContact O-N 3.39Å; V396-R398 VanDerWaalsContact C-N 3.3Å; V396-R398 PolarHBondContact O-N 3.48Å; V396-L399 WeakPolarHBondContact O-CB 3.36Å; V396-L399 PolarHBondContact O-N 3.43Å; V396-L399 VanDerWaalsContact O-N 3.08Å; V396-L400 HydrophobicContact CG1-CD1 3.87Å; V396-L400 HydrophobicContact CG1-CG 4.06Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.47Å |
| 397 | N | 96.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 177.4 | -77.7 | -2.1 | 0 | 0 | 0 | 112.3 | L283 R393 L399 L400 N401 | L283-N397 VanDerWaalsContact CD2-ND2 3.33Å; L283-N397 WeakPolarHBondContact CD2-ND2 3.47Å; R393-N397 WeakPolarHBondContact O-CB 3.42Å; R393-N397 PolarHBondContact O-N 3.42Å; N397-L399 PolarHBondContact O-N 2.96Å; N397-L400 PolarHBondContact O-N 3.17Å; N397-N401 WeakPolarHBondContact O-CB 3.5Å; N397-N401 VanDerWaalsContact O-CG 3.27Å; N397-N401 PolarHBondContact O-N 2.99Å |
| 398 | R | 97.1 | Very high | 95.1 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.1 | -75.9 | -179.2 | -75.1 | 164.6 | -4.1 | 112.4 | L394 R395 V396 N401 Y402 | L394-R398 WeakPolarHBondContact O-CG 3.48Å; L394-R398 PolarHBondContact O-N 3.03Å; L394-R398 VanDerWaalsContact O-N 3.15Å; L394-R398 PolarHBondContact O-NE 3.12Å; R395-R398 PolarHBondContact O-N 3.34Å; V396-R398 VanDerWaalsContact C-N 3.3Å; V396-R398 PolarHBondContact O-N 3.48Å; R398-N401 PolarHBondContact O-N 3.14Å; R398-Y402 PolarHBondContact O-N 3.38Å |
| 399 | L | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175 | 170.6 | 67.2 | 0 | 0 | 0 | 111.3 | L66 E160 V161 T164 R395 V396 N397 N401 Y402 I403 | L66-L399 HydrophobicContact CD1-CD2 3.58Å; E160-L399 HydrophobicContact CB-CD1 4.4Å; E160-L399 HydrophobicContact CG-CD1 3.84Å; V161-L399 HydrophobicContact CG2-CD1 4.15Å; V161-L399 HydrophobicContact CG2-CD2 4.16Å; T164-L399 HydrophobicContact CG2-CB 4.18Å; T164-L399 HydrophobicContact CG2-CD2 3.66Å; T164-L399 HydrophobicContact CG2-CG 4.48Å; R395-L399 PolarHBondContact O-N 2.98Å; R395-L399 VanDerWaalsContact O-N 3.1Å; V396-L399 WeakPolarHBondContact O-CB 3.36Å; V396-L399 PolarHBondContact O-N 3.43Å; V396-L399 VanDerWaalsContact O-N 3.08Å; N397-L399 PolarHBondContact O-N 2.96Å; L399-N401 VanDerWaalsContact C-N 3.31Å; L399-N401 PolarHBondContact O-N 3.38Å; L399-Y402 WeakPolarHBondContact O-CB 3.44Å; L399-Y402 PolarHBondContact O-N 2.95Å; L399-I403 HydrophobicContact CD1-CD1 3.8Å; L399-I403 HydrophobicContact CD1-CG1 4.13Å; L399-I403 HydrophobicContact CD2-CD1 4.35Å; L399-I403 HydrophobicContact CG-CD1 3.68Å; L399-I403 HydrophobicContact CG-CG1 4.42Å; L399-I403 VanDerWaalsContact O-CG1 3.26Å; L399-I403 WeakPolarHBondContact O-CG1 3.26Å; L399-I403 PolarHBondContact O-N 3.1Å |
| 400 | L | 96 | Very high | 94.4 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | -179.7 | -67.2 | 178 | 0 | 0 | 0 | 112.2 | V396 N397 I403 S404 | V396-L400 HydrophobicContact CG1-CD1 3.87Å; V396-L400 HydrophobicContact CG1-CG 4.06Å; V396-L400 WeakPolarHBondContact O-CG 3.45Å; V396-L400 PolarHBondContact O-N 3.47Å; N397-L400 PolarHBondContact O-N 3.17Å; L400-I403 HydrophobicContact CD2-CD1 4.36Å; L400-I403 PolarHBondContact O-N 3.33Å; L400-S404 WeakPolarHBondContact O-CB 3.25Å; L400-S404 PolarHBondContact O-N 2.84Å |
| 401 | N | 96 | Very high | 94.1 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 57% | 0.572 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 173.5 | -72.6 | -12.4 | 0 | 0 | 0 | 111.6 | N397 R398 L399 S404 L405 | N397-N401 WeakPolarHBondContact O-CB 3.5Å; N397-N401 VanDerWaalsContact O-CG 3.27Å; N397-N401 PolarHBondContact O-N 2.99Å; R398-N401 PolarHBondContact O-N 3.14Å; L399-N401 VanDerWaalsContact C-N 3.31Å; L399-N401 PolarHBondContact O-N 3.38Å; N401-S404 WeakPolarHBondContact O-CB 3.5Å; N401-S404 PolarHBondContact O-N 3.07Å; N401-L405 WeakPolarHBondContact O-CG 3.33Å; N401-L405 PolarHBondContact O-N 3.36Å |
| 402 | Y | 94.5 | Very high | 93.6 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 35% | 0.345 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 174.5 | 173.1 | -108 | 0 | 0 | 0 | 111.9 | E160 R398 L399 S404 L405 M406 | E160-Y402 HydrophobicContact CB-CD1 4.41Å; E160-Y402 HydrophobicContact CB-CE1 4.03Å; E160-Y402 HydrophobicContact CG-CD1 3.92Å; E160-Y402 HydrophobicContact CG-CE1 3.97Å; R398-Y402 PolarHBondContact O-N 3.38Å; L399-Y402 WeakPolarHBondContact O-CB 3.44Å; L399-Y402 PolarHBondContact O-N 2.95Å; Y402-S404 VanDerWaalsContact C-N 3.32Å; Y402-S404 PolarHBondContact O-N 3.45Å; Y402-L405 PolarHBondContact O-N 2.95Å; Y402-M406 HydrophobicContact CD1-SD 3.91Å; Y402-M406 HydrophobicContact CE1-CG 4.19Å; Y402-M406 HydrophobicContact CE1-SD 3.23Å; Y402-M406 WeakPolarHBondContact CE1-SD 3.34Å; Y402-M406 HydrophobicContact CE2-CG 4.2Å; Y402-M406 HydrophobicContact CE2-SD 4.2Å; Y402-M406 WeakPolarHBondContact O-CG 3.5Å; Y402-M406 PolarHBondContact O-N 3.02Å |
| 403 | I | 93.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.2 | -65.6 | 162.1 | 0 | 0 | 0 | 111.2 | F157 L399 L400 L405 M406 K407 | F157-I403 HydrophobicContact CD2-CD1 4.15Å; F157-I403 HydrophobicContact CD2-CG1 3.85Å; F157-I403 HydrophobicContact CD2-CG2 4.49Å; F157-I403 HydrophobicContact CE2-CD1 3.59Å; F157-I403 HydrophobicContact CE2-CG1 3.79Å; F157-I403 HydrophobicContact CE2-CG2 4.27Å; L399-I403 HydrophobicContact CD1-CD1 3.8Å; L399-I403 HydrophobicContact CD1-CG1 4.13Å; L399-I403 HydrophobicContact CD2-CD1 4.35Å; L399-I403 HydrophobicContact CG-CD1 3.68Å; L399-I403 HydrophobicContact CG-CG1 4.42Å; L399-I403 VanDerWaalsContact O-CG1 3.26Å; L399-I403 WeakPolarHBondContact O-CG1 3.26Å; L399-I403 PolarHBondContact O-N 3.1Å; L400-I403 HydrophobicContact CD2-CD1 4.36Å; L400-I403 PolarHBondContact O-N 3.33Å; I403-L405 VanDerWaalsContact C-N 3.33Å; I403-L405 PolarHBondContact O-N 3.31Å; I403-M406 PolarHBondContact O-N 3.2Å; I403-K407 HydrophobicContact CG2-CD 4.17Å; I403-K407 HydrophobicContact CG2-CG 4.49Å; I403-K407 WeakPolarHBondContact O-CG 3.34Å; I403-K407 PolarHBondContact O-N 2.89Å |
| 404 | S | 94.2 | Very high | 92.1 | Very high | 75 Ų | 75 | 70.8 Ų | 70.8 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | L400 N401 Y402 K407 A408 | L400-S404 WeakPolarHBondContact O-CB 3.25Å; L400-S404 PolarHBondContact O-N 2.84Å; N401-S404 WeakPolarHBondContact O-CB 3.5Å; N401-S404 PolarHBondContact O-N 3.07Å; Y402-S404 VanDerWaalsContact C-N 3.32Å; Y402-S404 PolarHBondContact O-N 3.45Å; S404-K407 PolarHBondContact O-N 3.32Å; S404-A408 WeakPolarHBondContact O-CB 3.33Å; S404-A408 PolarHBondContact O-N 3.39Å |
| 405 | L | 93.7 | Very high | 91.5 | Very high | 123 Ų | 123 | 74 Ų | 74 | 64% | 0.644 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 176 | -70.1 | 169.1 | 0 | 0 | 0 | 112 | N401 Y402 I403 K407 A408 D409 | N401-L405 WeakPolarHBondContact O-CG 3.33Å; N401-L405 PolarHBondContact O-N 3.36Å; Y402-L405 PolarHBondContact O-N 2.95Å; I403-L405 VanDerWaalsContact C-N 3.33Å; I403-L405 PolarHBondContact O-N 3.31Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 2.97Å; L405-A408 PolarHBondContact O-N 3.29Å; L405-D409 WeakPolarHBondContact O-CB 3.36Å; L405-D409 PolarHBondContact O-N 2.96Å |
| 406 | M | 89.7 | Confident | 90.7 | Very high | 32 Ų | 32 | 77.3 Ų | 77.3 | 16% | 0.158 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 176.2 | -68.4 | -179.7 | 77 | 0 | 0 | 112 | K153 D156 Y402 I403 S410 | K153-M406 HydrophobicContact CB-CE 4.11Å; K153-M406 VanDerWaalsContact O-CE 3.26Å; K153-M406 WeakPolarHBondContact O-CE 3.2Å; D156-M406 HydrophobicContact CB-CE 4.23Å; Y402-M406 HydrophobicContact CD1-SD 3.91Å; Y402-M406 HydrophobicContact CE1-CG 4.19Å; Y402-M406 HydrophobicContact CE1-SD 3.23Å; Y402-M406 WeakPolarHBondContact CE1-SD 3.34Å; Y402-M406 HydrophobicContact CE2-CG 4.2Å; Y402-M406 HydrophobicContact CE2-SD 4.2Å; Y402-M406 WeakPolarHBondContact O-CG 3.5Å; Y402-M406 PolarHBondContact O-N 3.02Å; I403-M406 PolarHBondContact O-N 3.2Å; M406-S410 WeakPolarHBondContact O-CB 3.42Å; M406-S410 PolarHBondContact O-N 3.1Å; M406-S410 PolarHBondContact O-OG 3.38Å |
| 407 | K | 88.8 | Confident | 89.7 | Confident | 127 Ų | 127 | 80.1 Ų | 80.1 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 178.1 | -73.4 | -179.1 | 178.9 | -174.8 | 0 | 111.8 | I403 S404 L405 S410 K411 | I403-K407 HydrophobicContact CG2-CD 4.17Å; I403-K407 HydrophobicContact CG2-CG 4.49Å; I403-K407 WeakPolarHBondContact O-CG 3.34Å; I403-K407 PolarHBondContact O-N 2.89Å; S404-K407 PolarHBondContact O-N 3.32Å; L405-K407 VanDerWaalsContact C-N 3.29Å; L405-K407 PolarHBondContact O-N 2.97Å; K407-S410 PolarHBondContact O-N 2.92Å; K407-K411 PolarHBondContact O-N 3.16Å |
| 408 | A | 91.5 | Very high | 88.7 | Confident | 51 Ų | 51 | 81.4 Ų | 81.4 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | S404 L405 K411 S412 | S404-A408 WeakPolarHBondContact O-CB 3.33Å; S404-A408 PolarHBondContact O-N 3.39Å; L405-A408 PolarHBondContact O-N 3.29Å; A408-K411 PolarHBondContact O-N 3.17Å; A408-S412 PolarHBondContact O-N 3.4Å; A408-S412 PolarHBondContact O-OG 2.68Å |
| 409 | D | 90.5 | Very high | 87.7 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 173.2 | 174.3 | 74 | 0 | 0 | 0 | 111.2 | K153 L405 K411 S412 H413 | K153-D409 IonicContact NZ-OD2 2.75Å; K153-D409 PolarHBondContact NZ-OD2 3.01Å; L405-D409 WeakPolarHBondContact O-CB 3.36Å; L405-D409 PolarHBondContact O-N 2.96Å; D409-K411 VanDerWaalsContact C-N 3.27Å; D409-K411 PolarHBondContact O-N 2.98Å; D409-S412 PolarHBondContact O-N 3.48Å; D409-S412 VanDerWaalsContact O-N 3.1Å; D409-H413 PolarHBondContact O-N 3.33Å |
| 410 | S | 85 | Confident | 86.7 | Confident | 26 Ų | 26 | 89.9 Ų | 89.9 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 180 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | K153 M406 K407 R414 | K153-S410 VanDerWaalsContact CD-OG 3.28Å; K153-S410 WeakPolarHBondContact CD-OG 3.44Å; K153-S410 PolarHBondContact NZ-OG 3.09Å; M406-S410 WeakPolarHBondContact O-CB 3.42Å; M406-S410 PolarHBondContact O-N 3.1Å; M406-S410 PolarHBondContact O-OG 3.38Å; K407-S410 PolarHBondContact O-N 2.92Å; S410-R414 WeakPolarHBondContact O-CG 3.1Å; S410-R414 PolarHBondContact O-N 3.29Å; S410-R414 PolarHBondContact O-NE 2.87Å; S410-R414 VanDerWaalsContact O-NE 3.12Å |
| 411 | K | 87.5 | Confident | 85.5 | Confident | 130 Ų | 130 | 90.9 Ų | 90.9 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.5 | -49.7 | 171.1 | -174.2 | -178.9 | 175.8 | -175.7 | 0 | 110.7 | K407 A408 D409 H413 R414 D415 | K407-K411 PolarHBondContact O-N 3.16Å; A408-K411 PolarHBondContact O-N 3.17Å; D409-K411 VanDerWaalsContact C-N 3.27Å; D409-K411 PolarHBondContact O-N 2.98Å; K411-H413 VanDerWaalsContact C-N 3.31Å; K411-H413 PolarHBondContact O-N 2.83Å; K411-R414 PolarHBondContact O-N 3.22Å; K411-D415 PolarHBondContact O-N 3.43Å |
| 412 | S | 87.4 | Confident | 84.3 | Confident | 64 Ų | 64 | 90.2 Ų | 90.2 | 45% | 0.448 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.2 | -39.4 | -179.4 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | A408 D409 D415 N416 | A408-S412 PolarHBondContact O-N 3.4Å; A408-S412 PolarHBondContact O-OG 2.68Å; D409-S412 PolarHBondContact O-N 3.48Å; D409-S412 VanDerWaalsContact O-N 3.1Å; S412-D415 PolarHBondContact O-N 3.33Å; S412-N416 VanDerWaalsContact O-CG 3.3Å; S412-N416 PolarHBondContact O-N 3.06Å; S412-N416 VanDerWaalsContact O-N 3.09Å; S412-N416 PolarHBondContact O-ND2 3.17Å |
| 413 | H | 81.7 | Confident | 83.3 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 48% | 0.477 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 176.4 | -165.2 | -68.3 | 0 | 0 | 0 | 111.9 | D409 K411 D415 N416 D417 | D409-H413 PolarHBondContact O-N 3.33Å; K411-H413 VanDerWaalsContact C-N 3.31Å; K411-H413 PolarHBondContact O-N 2.83Å; H413-D415 VanDerWaalsContact C-N 3.32Å; H413-D415 PolarHBondContact O-N 3.44Å; H413-N416 WeakPolarHBondContact O-CB 3.46Å; H413-N416 PolarHBondContact O-N 3.36Å; H413-N416 VanDerWaalsContact O-N 3.12Å; H413-D417 IonicContact CE1-OD1 2.78Å; H413-D417 IonicContact CE1-OD2 2.93Å; H413-D417 PolarHBondContact CE1-OD2 3.44Å; H413-D417 IonicContact ND1-OD1 2.6Å; H413-D417 IonicContact ND1-OD2 3.02Å; H413-D417 PolarHBondContact ND1-OD2 3.37Å; H413-D417 PolarHBondContact O-N 3.26Å |
| 414 | R | 80.6 | Confident | 82 | Confident | 161 Ų | 161 | 92.2 Ų | 92.2 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 176.9 | -75.7 | -177.6 | -71.2 | -171.5 | 0.6 | 112 | S410 K411 N416 D417 V418 | S410-R414 WeakPolarHBondContact O-CG 3.1Å; S410-R414 PolarHBondContact O-N 3.29Å; S410-R414 PolarHBondContact O-NE 2.87Å; S410-R414 VanDerWaalsContact O-NE 3.12Å; K411-R414 PolarHBondContact O-N 3.22Å; R414-N416 PolarHBondContact O-N 2.96Å; R414-D417 PolarHBondContact O-N 3.13Å; R414-V418 WeakPolarHBondContact O-CG2 3.44Å; R414-V418 PolarHBondContact O-N 3.01Å |
| 415 | D | 83.1 | Confident | 80.8 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -33.4 | 177.2 | -68.4 | -15.1 | 0 | 0 | 0 | 111.6 | K411 S412 H413 K419 | K411-D415 PolarHBondContact O-N 3.43Å; S412-D415 PolarHBondContact O-N 3.33Å; H413-D415 VanDerWaalsContact C-N 3.32Å; H413-D415 PolarHBondContact O-N 3.44Å; D415-K419 VanDerWaalsContact O-CG 3.31Å; D415-K419 WeakPolarHBondContact O-CG 3.16Å; D415-K419 PolarHBondContact O-N 3.01Å |
| 416 | N | 82.7 | Confident | 79.3 | Confident | 85 Ų | 85 | 99 Ų | 99 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.9 | -40 | 175.1 | -72.6 | -24.5 | 0 | 0 | 0 | 112.8 | S412 H413 R414 K419 R420 | S412-N416 VanDerWaalsContact O-CG 3.3Å; S412-N416 PolarHBondContact O-N 3.06Å; S412-N416 VanDerWaalsContact O-N 3.09Å; S412-N416 PolarHBondContact O-ND2 3.17Å; H413-N416 WeakPolarHBondContact O-CB 3.46Å; H413-N416 PolarHBondContact O-N 3.36Å; H413-N416 VanDerWaalsContact O-N 3.12Å; R414-N416 PolarHBondContact O-N 2.96Å; N416-K419 PolarHBondContact O-N 3.34Å; N416-R420 WeakPolarHBondContact O-CG 3.32Å; N416-R420 PolarHBondContact O-N 2.99Å |
| 417 | D | 76.6 | Confident | 77.9 | Confident | 60 Ų | 60 | 101.9 Ų | 101.9 | 32% | 0.321 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 177.5 | -65.9 | -33 | 0 | 0 | 0 | 110.9 | H413 R414 K419 R420 D421 | H413-D417 IonicContact CE1-OD1 2.78Å; H413-D417 IonicContact CE1-OD2 2.93Å; H413-D417 PolarHBondContact CE1-OD2 3.44Å; H413-D417 IonicContact ND1-OD1 2.6Å; H413-D417 IonicContact ND1-OD2 3.02Å; H413-D417 PolarHBondContact ND1-OD2 3.37Å; H413-D417 PolarHBondContact O-N 3.26Å; R414-D417 PolarHBondContact O-N 3.13Å; D417-K419 VanDerWaalsContact C-N 3.32Å; D417-K419 PolarHBondContact O-N 2.54Å; D417-R420 PolarHBondContact O-N 2.79Å; D417-R420 VanDerWaalsContact O-N 3.14Å; D417-D421 PolarHBondContact O-N 3.14Å |
| 418 | V | 75.7 | Confident | 76.4 | Confident | 86 Ų | 86 | 102.9 Ų | 102.9 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.5 | R414 D421 L422 | R414-V418 WeakPolarHBondContact O-CG2 3.44Å; R414-V418 PolarHBondContact O-N 3.01Å; V418-D421 PolarHBondContact O-N 3.24Å; V418-L422 HydrophobicContact CG1-CD1 4.07Å; V418-L422 WeakPolarHBondContact O-CG 3.46Å; V418-L422 PolarHBondContact O-N 2.87Å |
| 419 | K | 76 | Confident | 74.2 | Confident | 134 Ų | 134 | 106.4 Ų | 106.4 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -40.3 | 175.7 | -77.5 | 175.6 | -177.6 | 176.7 | 0 | 112.2 | D415 N416 D417 L422 V423 | D415-K419 VanDerWaalsContact O-CG 3.31Å; D415-K419 WeakPolarHBondContact O-CG 3.16Å; D415-K419 PolarHBondContact O-N 3.01Å; N416-K419 PolarHBondContact O-N 3.34Å; D417-K419 VanDerWaalsContact C-N 3.32Å; D417-K419 PolarHBondContact O-N 2.54Å; K419-L422 PolarHBondContact O-N 3.31Å; K419-V423 WeakPolarHBondContact O-CG2 3.31Å; K419-V423 PolarHBondContact O-N 2.59Å |
| 420 | R | 76.3 | Confident | 73.4 | Confident | 174 Ų | 174 | 107.3 Ų | 107.3 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 176.3 | -77.2 | 176 | 175.1 | 172.3 | -1.7 | 111.7 | N416 D417 L422 V423 S424 | N416-R420 WeakPolarHBondContact O-CG 3.32Å; N416-R420 PolarHBondContact O-N 2.99Å; D417-R420 PolarHBondContact O-N 2.79Å; D417-R420 VanDerWaalsContact O-N 3.14Å; R420-L422 VanDerWaalsContact C-N 3.33Å; R420-L422 PolarHBondContact O-N 3.09Å; R420-V423 PolarHBondContact O-N 2.97Å; R420-S424 PolarHBondContact O-N 3.23Å; R420-S424 PolarHBondContact O-OG 3.06Å |
| 421 | D | 70.9 | Confident | 72.8 | Confident | 94 Ų | 94 | 111.5 Ų | 111.5 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.1 | -34.6 | 176.8 | -76.8 | -13.9 | 0 | 0 | 0 | 112.8 | D417 V418 S424 R425 | D417-D421 PolarHBondContact O-N 3.14Å; V418-D421 PolarHBondContact O-N 3.24Å; D421-S424 WeakPolarHBondContact CA-OG 3.34Å; D421-S424 PolarHBondContact O-OG 3.33Å; D421-R425 VanDerWaalsContact O-CG 3.27Å; D421-R425 WeakPolarHBondContact O-CG 3.01Å; D421-R425 PolarHBondContact O-N 3.12Å; D421-R425 VanDerWaalsContact O-N 3.14Å |
| 422 | L | 71.1 | Confident | 72 | Confident | 93 Ų | 93 | 110.5 Ų | 110.5 | 49% | 0.487 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 173.9 | -75.5 | 164.3 | 0 | 0 | 0 | 112 | V418 K419 R420 H426 | V418-L422 HydrophobicContact CG1-CD1 4.07Å; V418-L422 WeakPolarHBondContact O-CG 3.46Å; V418-L422 PolarHBondContact O-N 2.87Å; K419-L422 PolarHBondContact O-N 3.31Å; R420-L422 VanDerWaalsContact C-N 3.33Å; R420-L422 PolarHBondContact O-N 3.09Å; L422-H426 PolarHBondContact O-N 2.93Å; L422-H426 PolarHBondContact O-ND1 2.92Å |
| 423 | V | 72.7 | Confident | 71.1 | Confident | 97 Ų | 97 | 113.2 Ų | 113.2 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -44.2 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | K419 R420 R425 H426 S427 | K419-V423 WeakPolarHBondContact O-CG2 3.31Å; K419-V423 PolarHBondContact O-N 2.59Å; R420-V423 PolarHBondContact O-N 2.97Å; V423-R425 VanDerWaalsContact C-N 3.29Å; V423-R425 PolarHBondContact O-N 3.33Å; V423-H426 PolarHBondContact O-N 3.47Å; V423-S427 PolarHBondContact O-N 3.45Å; V423-S427 PolarHBondContact O-OG 3.27Å |
| 424 | S | 67.5 | Low | 70.4 | Confident | 53 Ų | 53 | 113.9 Ų | 113.9 | 37% | 0.371 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.2 | -34.5 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | R420 D421 S427 I428 | R420-S424 PolarHBondContact O-N 3.23Å; R420-S424 PolarHBondContact O-OG 3.06Å; D421-S424 WeakPolarHBondContact CA-OG 3.34Å; D421-S424 PolarHBondContact O-OG 3.33Å; S424-S427 PolarHBondContact O-N 3.17Å; S424-I428 VanDerWaalsContact O-CD1 3.29Å; S424-I428 WeakPolarHBondContact O-CD1 3.34Å; S424-I428 VanDerWaalsContact O-CG1 3.3Å; S424-I428 WeakPolarHBondContact O-CG1 3.5Å |
| 425 | R | 67.5 | Low | 69.7 | Low | 192 Ų | 192 | 110.7 Ų | 110.7 | 73% | 0.725 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.9 | -31.7 | 175 | -72.4 | 177.3 | -174 | -165 | 3.2 | 114 | D421 V423 S427 | D421-R425 VanDerWaalsContact O-CG 3.27Å; D421-R425 WeakPolarHBondContact O-CG 3.01Å; D421-R425 PolarHBondContact O-N 3.12Å; D421-R425 VanDerWaalsContact O-N 3.14Å; V423-R425 VanDerWaalsContact C-N 3.29Å; V423-R425 PolarHBondContact O-N 3.33Å; R425-S427 VanDerWaalsContact C-N 3.34Å |
| 426 | H | 62.9 | Low | 68.8 | Low | 148 Ų | 148 | 112.9 Ų | 112.9 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77.1 | -21 | 175.7 | -77.7 | 76.9 | 0 | 0 | 0 | 113 | L422 V423 I428 | L422-H426 PolarHBondContact O-N 2.93Å; L422-H426 PolarHBondContact O-ND1 2.92Å; V423-H426 PolarHBondContact O-N 3.47Å; H426-I428 VanDerWaalsContact C-N 3.29Å |
| 427 | S | 60.6 | Low | 67.7 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -7.5 | 176.4 | -49.6 | 0 | 0 | 0 | 0 | 114.1 | V423 S424 R425 | V423-S427 PolarHBondContact O-N 3.45Å; V423-S427 PolarHBondContact O-OG 3.27Å; S424-S427 PolarHBondContact O-N 3.17Å; R425-S427 VanDerWaalsContact C-N 3.34Å |
| 428 | I | 57 | Low | 67 | Low | 148 Ų | 148 | 119.7 Ų | 119.7 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | trans | -115.5 | -2 | -174.2 | -54.8 | 167.3 | 0 | 0 | 0 | 111.6 | S424 H426 | S424-I428 VanDerWaalsContact O-CD1 3.29Å; S424-I428 WeakPolarHBondContact O-CD1 3.34Å; S424-I428 VanDerWaalsContact O-CG1 3.3Å; S424-I428 WeakPolarHBondContact O-CG1 3.5Å; H426-I428 VanDerWaalsContact C-N 3.29Å | ||
| 429 | G | 45.4 | Very low | 66.2 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 100% | 1.289 | 66% | 0.663 | S | S | * | * | trans | -102.4 | 0 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 |
Retrieved 429 of 429 residues in 281.8 ms
(Link to these results)